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809 records · Page 45

Cryo-STEM Tomography with Inpainting

Traditionally, microscopists have worked with the Nyquist-Shannon theory of sampling, which states that to be able to reconstruct the image fully it needs to be sampled at a rate of at least twice the highest spatial frequency in the image. This sampling rate assumes that the image is sampled at regular intervals and that every pixel contains information that is crucial for the image (it even assumes that noise is important). Images in general, and especially low dose S/TEM images, contain significantly less information than can be encoded by a grid of pixels (which is why image compression works). Mathematically speaking, the image data has a low dimensional or sparse representation. Through the application of compressive sensing methods [1,2,3] this representation can be found using pre-designed measurements that are usually random for implementation simplicity. These measurements and the compressive sensing reconstruction algorithms have the added benefit of reducing noise. This reconstruction approach can be extended into higher dimensions, whereby the random sampling in each 2-D image can be extended into: a sequence of tomographic projections (i.e. tilt images); a sequence of video frames (i.e. incorporating temporal resolution and dynamics); spectral resolution (i.e. energy filtering an image to see the distribution of elements); and ptychography (i.e. sampling a full diffraction image at each location in a 2-D grid across the sample). This approach has been employed experimentally for materials science samples requiring low-dose imaging [2], and can be readily applied to biological samples. Figure 1 shows the resolution possible in a complex biological system, mouse pancreatic islet beta cells [4], when tomogram slices are reconstructed using subsampling. Reducing the number of pixels (1/6 pix and 1/3*1/3) shows minimal degradation compared to the reconstructions using all pixels (all data and 1/3 tilt). Although subsampling 1/6 of the tilts (1/6 of overall dose) degrades the reconstruction to the point that the cellular structures cannot be identified. Using 1/3 of both the pixels and the tilts provides a high quality image at 1/9 the overall dose even for this most basic and rapid demonstration of the CS methods. Figure 2 demonstrates the theoretical tomogram reconstruction quality (vertical axis) as undersampling (horizontal axis) is increased; we examined subsampling pixels and tilt-angles individually and a combined approach in which both pixels and tilts are sub-sampled. Note that subsampling pixels maintains high quality reconstructions (solid lines). Using the inpainting algorithm to obtain tomograms can automatically reduce the dose applied to the system by an order of magnitude. Perhaps the best way to understand the impact is to consider that by using inpainting (and with minimal hardware changes), a sample that can normally withstand a dose of ~10 e/Å2 can potentially be imaged with an “equivalent quality” to a dose level of 103 e/Å2. To put this in perspective, this is approaching the dose level used for the most advanced images, in terms of spatial resolution, for inorganic systems. While there are issues for biological specimens beyond dose (structural complexity being the most important one), this sampling approach allows the methods that are traditionally used for materials science to be applied to biological systems [5]. References: [1] A Stevens, H Yang, L Carin et al. Microscopy 63(1), (2014), pp. 41. [2] L Kovarik, A Stevens, A Liyu et al. Appl. Phys. Lett. 109, 164102 (2016) [3] A Stevens, L Kovarik, P Abellan et al. Adv. Structural and Chemical Imaging 1(10), (2015), pp. 1. [4] MD Guay, W Czaja, MA Aronova et al. Scientific Reports 6, 27614 (2016) [5] Supported by the Chemical Imaging, Signature Discovery, and Analytics in Motion Initiatives at PNNL. PNNL is operated by Battelle Memorial Inst. for the US DOE; contract DE-AC05-76RL01830.

Stevens, Andrew↗

The Instrumented Walking and Turning Test to Evaluate Suited Gait Dynamics and Performance in Extravehicular Activity Training Environments

Background and aims: Walking will be required for many exploration tasks on the Moon during the Artemis program. Walking in a straight line on the confined floorspace of a testing area, and repetitive treadmill walking that requires no change in direction may not adequately reflect the balance and coordination required during ambulation. Also, performance of turning maneuvers may be affected differently in different extravehicular activity (EVA) training facilities that simulate partial gravity. For example, the Neutral Buoyancy Lab (NBL) simulates lunar gravity by adding weight to underwater subjects to alter buoyancy and achieve the equivalent ground reaction force of 1/6 of Earth’s gravity (1/6G), whereas the Active Response Gravity Offload System (ARGOS) uses a computer controlled overhead suspension system programmed to continuously offload a percentage of a subject’s weight to simulate 1/6G. The degree to which dynamic movements such as turning are comparable across these EVA training facilities has not yet been evaluated. The instrumented gait test helps NASA scientists and engineers evaluate gait dynamics and performance in suited conditions, and this test demonstrates the unique characteristics and limitations of EVA training facilities. We developed an instrumented walking and turning test using inertial measurement units (IMUs) and conducted the test at NASA’s EVA training facilities. Results were used to compare suited walking and turning characteristics in the ARGOS and the NBL. Methods: Subjects donned the Mark III space suit during offloading with the ARGOS spreader bar gimbal and donned the Z2.5 space suit while underwater in the NBL with weights and floatation added to achieve realistic suit center of gravity. The test team securely attached three Opal (APDM, OR, USA) wireless IMUs on the space suit for each test run: one on the middle of the hard upper torso, and one on the left and on the right ankle bearings. During the NBL tests, the IMUs were encased in a waterproof housing (GoPro) with foam added to create a tighter fit. At both testing facilities, 6.3 m x 1.0 m (LxW) walking lines were marked, and a cone for turning or walking around was located at the end of the walking path with another line on the other side of the cone to indicate the stopping point after walking around the cone. Under simulated 1/6G, subjects began by standing at the marked line with their arms folded across the chest, they then walked at a preferred speed along the straight walking path until they reached the end, turned 180 degrees around the cone, and finally stopped at the marked stopping point. All IMU data recorded during testing were automatically saved to the internal memory. Then, raw IMU signals were processed using custom MATLAB (Mathworks, MA, USA) code to compare gait parameters during both the walking and the turning components of the task. These parameters included time (s), speed (m/s for walking and rad/s for turning), step number (n) and walk:turn time ratio (% time spent straight walking versus turning). Results: Less time, faster gait, fewer steps, and higher walk:turn ratio during both walking and turning components were exhibited during tests performed at the ARGOS versus those performed at the NBL. During the NBL tests, the slower walking speed continued at the same rate throughout a U-shape turn. During the ARGOS tests, the subjects performed shorter and tighter turns at 4 times the speed of the NBL turns because they walked 30% faster and the vertical offloading system gave them more support. Conclusion: Our data show that the differences in walking and turning parameters during the NBL tests may be due to the high viscosity in the water environment where the motion of the lower limbs was slow and did not reach full flexion and extension. These tests improve the current knowledge of testing environments in preparation for EVAs on the lunar surface.

Kyoung Jae Kim↗

Reduced dislocation density in Ga x In 1–x P compositionally graded buffer layers through engineered glide plane switch

In this work we develop control over dislocation glide dynamics in Ga x In 1-x P compositionally graded buffer layers (CGBs) through control of CuPt ordering on the group-III sublattice. The ordered structure is metastable in the bulk, so any glissile dislocation that disrupts the ordered pattern will release stored energy, and experience an increased glide force. Here we show how this connection between atomic ordering and dislocation glide force can be exploited to control the threading dislocation density (TDD) in Ga x In 1-x P CGBs. When ordered Ga x In 1-x P is graded from the GaAs lattice constant to InP, the order parameter ..eta.. decreases as x decreases, and dislocation glide switches from one set of glide planes to the other. This glide plane switch (GPS) is accompanied by the nucleation of dislocations on the new glide plane, which typically leads to increased TDD. We develop control of the GPS position within a Ga x In 1-x P CGB through manipulation of deposition temperature, surfactant concentration, and strain-grading rate. We demonstrate a two-stage Ga x In 1-x P CGB from GaAs to InP with sufficiently low TDD for high performance devices, such as the 4-junction inverted metamorphic multi-junction solar cell, achieved through careful control the GPS position. Here, experimental results are analyzed within the context of a model that considers the force balance on dislocations on the two competing glide planes as a function of the degree of ordering.

14 SOLAR ENERGY↗

Mean Flow Augmented Acoustics in Rocket Systems

Oscillatory motion in solid rocket motors and liquid engines has long been a subject of concern. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process and gas dynamics. The customary approach to modeling acoustic waves inside a rocket chamber is to apply the classical inhomogeneous wave equation to the combustion gas. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while the acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The converging section of a rocket nozzle, where gradients in pressure, density, and velocity become large, is a notable region where this approach is not applicable. The expulsion of unsteady energy through the nozzle of a rocket is identified as the predominate source of acoustic damping for most rocket systems. An accurate model of the acoustic behavior within this region where acoustic modes are influenced by the presence of a steady mean flow is required for reliable stability predictions. Recently, an approach to address nozzle damping with mean flow effects was implemented by French [1]. This new approach extends the work originated by Sigman and Zinn [2] by solving the acoustic velocity potential equation (AVPE) formulated by perturbing the Euler equations [3]. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, (del squared)(psi) − (lambda/c)(exp 2)(psi) − M(dot)[M(dot)(del)(del(psi))] − 2(lambda(M/c) + (M(dot)del(M))(dot)del(psi)−2(lambda)(psi)[M(dot)del(1/c)]=0 (1) with M as the Mach vector, c as the speed of sound, and lambda as the complex eigenvalue. French apply the finite volume method to solve the steady flow field within the combustion chamber and nozzle with inviscid walls. The complex eigenvalues and eigenvector are determined with the use of the ARPACK eigensolver. The present study employs the COMSOL Multphysics framework to solve the coupled eigenvalue problem using the finite element approach. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluated the gas flow inside of a solid rocket motor using St. Robert's law modeling solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are used by the coefficient form of the mathematics module to determine the eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. Pertinent results from these analyses are the complex valued eigenvalue and eigenvectors. Comparisons are made to the French results to evaluate the modeling approach. A comparison of the French results with that of the present analysis is displayed in figures 1 and 2, respectively. The graphic shows the first tangential eigenvector's real (a) and imaginary (b) values.

Fischbach, Sean R.↗

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO). PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Material Response↗

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO) [1,2,3]. PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) [4] CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) [5] program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield [6]. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem [7]. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Thermal Protection Systems↗

From quantitative trait loci towards mechanisms: Linkage Integration Hypothesis Testing (LIgHT) sheds light on the mechanisms of genetically modulated stress tolerance

The goal of this work is to assess the mechanistic bases of natural genetic variations in plant responses of photosynthesis to stress. To achieve this goal, we devised the Linkage Integration Hypothesis Testing (LIgHT) approach, comparing chromosomal locations of quantitative trait loci (QTLs) for multiple phenotypes to distinguish between hypothetical mechanisms. As a use case, we explored genetic variations in photosynthesis-related processes under chilling stress in recombinant inbred lines of cowpea ( Vigna unguiculata L. Walp.). We focused on photosynthesis-related parameters measurable in high throughput and indicative of proposed chilling responses, including the states of PSI and PSII, photoprotective non-photochemical quenching, PSII photodamage, and nyctinastic leaf movements (NLMs). The patterns of QTL linkages indicated that chilling stress tolerance is genetically controlled by avoiding PSII photodamage rather than PSI damage or NLMs. This model was validated in a separate experiment measuring the rates of PSII photodamage and repair. Additional linkages suggest that chilling-induced damage to PSII is controlled by the thylakoid proton motive force and redox state of PSII. This regulation appears to be modulated by thylakoid fatty acid composition, previously associated with the same genetic loci and now supported by broader mechanistic evidence. We propose that the LIgHT approach can be broadly applied to test mechanisms underlying genetic variations.

MultispeQ↗

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗

The Ares I-1 Flight Test--Paving the Road for the Ares I Crew Launch Vehicle

In accordance with the U.S. Vision for Space Exploration and the nation's desire to again send humans to explore beyond Earth orbit, NASA has been tasked to send human beings to the moon, Mars, and beyond. It has been 30 years since the United States last designed and built a human-rated launch vehicle. NASA is now building the Ares I crew launch vehicle, which will loft the Orion crew exploration vehicle into orbit, and the Ares V cargo launch vehicle, which will launch the Lunar Surface Access Module and Earth departure stage to rendezvous Orion for missions to the moon. NASA has marshaled unique resources from the government and private sectors to perform the technically and programmatically complex work of delivering astronauts to orbit early next decade, followed by heavy cargo late next decade. Our experiences with Saturn and the Shuttle have taught us the value of adhering to sound systems engineering, such as the "test as you fly" principle, while applying aerospace best practices and lessons learned. If we are to fly humans safely aboard a launch vehicle, we must employ a variety of methodologies to reduce the technical, schedule, and cost risks inherent in the complex business of space transportation. During the Saturn development effort, NASA conducted multiple demonstration and verification flight tests to prove technology in its operating environment before relying upon it for human spaceflight. Less testing on the integrated Shuttle system did not reduce cost or schedule. NASA plans a progressive series of demonstration (ascent), verification (orbital), and mission flight tests to supplement ground research and high-altitude subsystem testing with real-world data, factoring the results of each test into the next one. In this way, sophisticated analytical models and tools, many of which were not available during Saturn and Shuttle, will be calibrated and we will gain confidence in their predictions, as we gain hands-on experience in operating the first of two new launch vehicle systems. The Ares I-1 flight test vehicle (FTV) will incorporate a mix of flight and mockup hardware, reflecting a configuration similar in mass, weight, and shape (outer mold line or OML) to the operational vehicle. It will be powered by a four-segment reusable solid rocket booster (RSRB), which is currently in Shuttle inventory, and will be modified to include a fifth, inert segment that makes it approximately the same size and weight as the five segment RSRB, which will be available for the second flight test in 2012. The Ares I-1 vehicle configuration is shown. Each test flight has specific objectives appropriate to the design analysis cycle in progress. The Ares I-1 demonstration test, slated for April 2009, gives NASA its first opportunity to gather critical data about the flight dynamics of the integrated launch vehicle stack, understand how to control its roll during flight, and other characterize the severe stage separation environment that the upper stage will experience during future operational flights. NASA also will begin the process of modifying the launch infrastructure and fine-tuning ground and mission operational scenarios, as NASA transitions from the Shuttle to the Ares/Orion system.

Davis, Stephan R.↗

ARPA-E Grid Optimization (GO) Competition Challenge 2

The ARPA-E Grid Optimization (GO) Competition Challenge 2, from 2020 to 2021, expanded upon the problem posed in Challenge 1 by adding adjustable transformer tap ratios, phase shifting transformers, switchable shunts, price-responsive demand, ramp rate constrained generators and loads, and fast-start unit commitment. Furthermore, Challenge 2 was a maximization problem while Challenge 1 was a minimization problem. Specifically, the economic surplus, defined as the benefit of serving load minus the cost of generation, is being maximized. It was expected that the objective value of a given solution should be positive, representing economic gain, but negative objectives from poor solutions were possible. The two code submission feature of Challenge 1 was maintained. Additionally, Divisions 3 and 4 within the competition permitted on/off switching of transmission lines (Divisions 1 and 2 did not). After the initial release of the Problem Formulation on 7/20/2020, ARPA-E Director Lane Genatowski announced Challenge 2 on 9/12/2020. The final May 31, 2021, version of the Problem Formulation was 97 pages long with 299 equations. The Challenge proceeded with 2 non-prize Events and 2 prize Events. Teams receiving Challenge 1 FOA awards and prize money were required to use the prize money to fund their Challenge 2 efforts (Georgia Institute of Technology, Global Optimal Technology, Inc., Lawrence Livermore National Laboratory, Lehigh University, Northwestern University, Artelys, Columbia, Pearl Street Technologies, Pennsylvania State University, and University of Colorado Boulder). For more information on the competition and challenge 2 see the "GO Competition Challenge 2 Information" resource below. Challenge 1 and Challenge 3 information can be found in the resources linked below.

ACOPF↗

North Dakota Integrated Carbon Storage Complex Feasibility Study. Final report

In spring 2017, the Energy & Environmental Research Center (EERC) initiated an effort to determine the feasibility of developing a commercial-scale CO 2 geologic storage complex able to store 50+ million tonnes (Mt) of CO 2 in central North Dakota safely, permanently, and economically. The objective was to fulfill the goals of the U.S. Department of Energy (DOE) Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Initiative and address technical and nontechnical challenges specific to commercial-scale deployment of a CO2 storage project. The findings clearly show that the concept of capturing CO 2 from a lignite-fired electrical generation facility in central North Dakota and safely and permanently storing the CO 2 in the deep subsurface is indeed technically, economically, and socially feasible. This project evaluated two study areas and their respective geologic storage complexes located adjacent to separate coal-fired facilities in North Dakota: the Basin Electric Power Cooperative (BEPC)-owned Great Plains Synfuels Plant (GPSP) and the Minnkota Power Cooperative (Minnkota)-owned Milton R. Young Station (MRYS). These locations, one with CO 2 capture in place and an existing CO 2 pipeline, are bolstered by progressive North Dakota pore space ownership and long-term liability laws. These elements and a motivated team created an ideal synergistic scenario for ensuring success of the CarbonSAFE Initiative and promoting North Dakota’s statewide vision for carbon management. The project included drilling two new geologic characterization wells, integrating an existing 3-D seismic survey, creating a geologic model subsequently used for injection simulation, a risk assessment, public outreach, and generating a site development plan based on results. In addition, the performance of select National Risk Assessment Partnership tools was evaluated. The geologic characterization wells were drilled ~5600 feet deep to the Broom Creek Formation; ~350 feet of core was retrieved from each well. The core included the Broom Creek (targeted injection zone) and a portion of the overlying Opeche Shale (seal). The Flemmer-1 well, west of Beulah, North Dakota, yielded 169 feet of sandstone. The BNI-1 well located south of Center, North Dakota, yielded 124 feet of sandstone. In each case, laboratory analysis of the sandstone showed permeability in the 300–1000-mD range, with porosity of 20%–30%. The Flemmer-1 well was sited within the boundaries of an existing 3-D seismic survey. Colocating the well with the seismic survey maximized the relationship between new and legacy data and developed a first-of-its-kind interpretation of the geologic fabric of the Broom Creek. Geologic characterization data were integrated into a 5544-mi 2 geocellular model that encompassed both new wells and stratigraphy from the surface to the Amsden Formation (underlying the Broom Creek). The model was later expanded vertically to include the deeper Black Island–Deadwood interval to examine its potential viability as a storage target. The geocellular model provided the foundation for dynamic simulation of CO 2 into the Broom Creek. Results of the simulation suggest that the Broom Creek could accept the DOE target rate of 2 Mt/yr of CO 2 into as few as two wells. To bracket the expected capture from MRYS, simulations were also investigated for a 4-Mt/yr rate near MRYS. Although more wells are needed (two additional), the Broom Creek still has the storage resource to accept the CO 2 at the increased rate. A risk assessment exercise was conducted to identify and assess technical and nontechnical risks that could prevent potential candidate storage complexes within the study area from serving as commercial storage sites. The assessment identified and evaluated six technical risk categories: 1) CO 2 injectivity, 2) storage capacity, 3) lateral migration of CO 2 , 4) lateral pressure propagation, 5) vertical migration of CO 2 or formation brine, and 6) induced seismicity. Following two rounds of analysis and scoring, no risks were determined to preclude continued efforts to develop carbon capture, utilization, and storage (CCUS) in central North Dakota. The risk assessment results will be used to guide future site characterization, modeling and simulation, and monitoring activities. A specific nontechnical strategic risk based on challenges that may be realized in amalgamation of pore space resulted in vertically expanding the geologic model to incorporate the potential for stacked storage in multiple saline reservoirs. By including the Black Island–Deadwood interval (the basal sedimentary reservoir in this region), the amalgamated areal extent could be reduced by as much as 45%. Working with a smaller geographic area reduces risks and costs associated with monitoring and pore space leasing. An economic evaluation incorporating capture; transport (<5 mi); Class VI wells; permitting; and monitoring, verification, and accounting suggests implementing commercial-scale CCUS is economically attractive if the federal tax benefits of 45Q are included. This is validated by Minnkota’s continued pursuit of CO 2 capture and geologic storage at MRYS through its Project Tundra initiative, indicating that there is a business case for CCUS in central North Dakota. Currently, North Dakota is the only state with underground injection control (UIC) Class VI primacy. Built into the North Dakota Century Code is a series of regulatory requirements that guide the process to obtain a Class VI CO 2 storage facility permit. As part of this project, a site development plan was compiled to assure compliance with North Dakota’s requirements to permit a commercial-scale CO 2 storage operation and includes a prospective time line encompassing a general breakdown of activities. In total, an estimated 30 months would be needed to execute the necessary steps to attain a North Dakota CO 2 storage facility permit. Outreach was an integral part of the project and encompassed any project-related activity that had contact or exposure beyond the project team. The goals of outreach were to foster an environment from which stakeholders could make informed decisions about the project and gauge community receptiveness to a CCUS project. A consistent set of messages and outreach products were developed in conjunction with an outreach advisory board that integrated project partners and team members. To gauge public acceptability of geologically storing CO 2 , 5611 households in the project area were invited to participate in an online survey. The survey results indicate that the public attitude regarding CCUS is neutral to positive, with strong sentiment that CO 2 capture and storage may be an approach to maintain the economic vitality of the region. To achieve project objectives, critical support in the form of financial backing, engineering evaluations, site access, outreach collaboration, operations data, risk assessment/evaluation, and software access was provided by BEPC, the North Dakota Industrial Commission Lignite Research Council, ALLETE Clean Energy, BNI Energy, North American Coal Corporation, Minnkota, Prairie Public Broadcasting, Computer Modelling Group Ltd., and Schlumberger.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Modular Controllable Transformers (MCT)

Large Power Transformers (LPTs) are at the heart of the electricity infrastructure and are critical pieces in today’s grid. Aging assets, long turn-around times, transportation delays and dependence on foreign manufacturing for these components have created conditions for points of failure across the system. Moreover, there is no available dynamic control on these passive sections of the grid. For all the automation embedded on the low voltage side of the low voltage side of the system there is absolutely no flexibility on the high voltage side. Changes in power flow patterns are brought about by altering dispatch patterns for generators which requires a coordinated effort and is often time consuming. Traditional FACTS based approaches such as UPFC or HVDC light involve massive modifications to the existing infrastructure. Recent instances of physical attacks on LPTs and the slow recovery process associated with fixing or replacing these damaged units has created an increased awareness for this issue. LPT designs are highly customized owing to specific field requirements. Long lead times coupled with transportation delays make procuring and installing LPTs a lengthy process. In an attempt to minimize the recovery time following an LPT failure, transformer manufacturers have developed mobile transformer units. These units typically consist of either a single-phase or three-phase transformer mounted on a truck and characterized by compact form factors. By reducing the assembly time and transport time these units offer a fast and temporary solution to LPT failures. Several efforts led by DOE, Edison Electric Company (EEI) and North American Electric Reliability Corporation (NERC) have led to the RecX program. RecX transformers consist of single phase transformers transported on specialized assemblies to enable fast restoration and minimal installation time. NERC and EEI have instituted transformer sharing programs like Spare Equipment Database (SED) as well as Spare Transformer Equipment Database (STEP) which encourage utilities to maintain and share a fleet of LPTs. Mobile transformers are typically limited to less than 100 MVA to enable transportation on a trailer. Also, the efficiency of mobile transformer units and RecX transformers is lower since they are temporary solutions. The ideal replacement solution would be one that could utilize a set of standardized transformers while incorporating flexibility to influence metrics like power flow, apparent impedance and voltage profiles. In view of these issues the team at Georgia Tech proposed a concept called Modular Controllable Transformers (MCTs). This project was commissioned as a part of DOE’s Transformer Resiliency and Advance Component (TRAC) program. The approach consists of splitting one large unit rated upwards of 100 MVA with smaller modular, standardized units. Each of these smaller units are augmented with a converter to add power flow, voltage and impedance control. Splitting the power level into multiple units has two important implications. By making smaller units, the transportation times can be reduced drastically. Moreover, even though these units have very specific impedance and other parameters, the augmented converters can make it emulate the unit being replaced. Thus, faster replacement times and added controls are achieved making this an extremely resilient approach. In the event of one modular units failure, the other two controllable units can operate in the most resilient fashion keeping the net system overloads to a minimum. Moreover, for the same probability of failure only a fraction of the system capacity is lost. The converter is augmented on to the tertiary winding of the transformer making it retrofittable in the field without massive modifications to the system. The material proposed in this report highlights design considerations to minimize recovery time as well as results displaying overall improvement in resiliency. The cost analysis of this approach shows significant savings compared to UPFC and HVDC lite based approaches. Extensive analysis was conducted on numerous aspects of this project over the course of this project. Simulation studies were conducted to prove the 5MVA converter design. Challenging BIL constraints and transient issues were addressed over the course of this project. Simulations on EMTP platform presented in consequent sections were used to finely tune the control for the same. A final design for a back-to-back 5MVA neutral-point-clamped (NPC) converter was completed in this project. Furthermore, switching components like high power IGBTs from IXYS Westcode Press-Pack series and ABB Stackpack series were identified for this application. These devices exhibit a blocking voltage of 6.5 kV and a nominal collector current of 900 A. Potential housing options as well as existing commercial option were identified for this converter design. A 56 MVA modular transformer unit was designed with Delta Star Inc. with consultation and inputs from all project members. The transformer cooling systems were chosen to be Oil Natural Air Forced (ONAF) to optimize ease of transport. A full Product Requirement Document (PRD) for the converter and the transformer was generated. The team also investigated key aspects of resiliency and how to quantify the same. A metric was developed to analyze resiliency and numerous simulation cases were presented. Increased (N-1) resiliency and outage resistance was showcased through simulation on the Texas Large scale power system. Dynamic control capabilities were also showcased on numerous system level simulations. An IEEE 30 bus system was used to show the ability of the MCT approach to reduce line congestion. Power flow control; a part of the MCTs abilities, showcased a 29% reduction in transformer loading on the same system. Full control over tie line flows was demonstrated on a modified IEEE 13 bus system. Dynamic LTC capabilities were shown through simulation and were compared to traditional LTCs. Furthermore, the ability of the MCTs to alter apparent transformer impedance was simulated to promote standardization of modular transformer units while retaining the ability to emulate a varied range of impedance characteristics. Thus granular control over power flow, voltages, impedances and was presented. Regulatory analysis conducted by Oak Ridge National Laboratory (ORNL) further bolstered the efficacy of the MCT approach and verified the added resiliency achieved due to this approach. As a conclusion, it was proved that the resilience improvement obtained from using the MCT approach is justified by just one failure in a 30-year period. This means that the benefits obtained from using the MCT approach far outweigh the cost of setting this approach up. As a part of the future efforts, the team is proposing building a (12.47-24) kV/400 kVA scaled down unit to control 5MVA of power flows. Emphasis would be laid on using commercial components to speed up the build of these units. Further the actual transport of the modular transformer unit would be a part of this operation and would provide insight into transportation issues. The approach shows much promise and adds key dynamic control on passive sub transmission and transmission sectors.

24 POWER TRANSMISSION AND DISTRIBUTION↗

THE SPATIOKINEMATICAL STRUCTURE OF H{sub 2}O AND OH MASERS IN THE ''WATER FOUNTAIN'' SOURCE IRAS 18460-0151

Using the Very Long Baseline Array and the European Very Long Baseline Interferometry Network, we have observed 22.2 GHz H{sub 2}O and 1612 MHz OH masers in the water fountain source IRAS 18460-0151. The H{sub 2}O maser spectrum has a very wide line-of-sight velocity range ( Almost-Equal-To 310 km s{sup -1}) and consists of three groups of emission features at the blueshifted (-68 km s{sup -1}{approx}< V{sub LSR} {approx}< -17 km s{sup -1}) and redshifted (V{sub LSR} {approx_equal} 240 km s{sup -1}) edges as well as around the systemic velocity (112 km s{sup -1} {approx}< V{sub LSR} {approx}< 133 km s{sup -1}). The first two H{sub 2}O spectral components exhibit a highly collimated high-velocity bipolar jet on the sky, with an angular separation of Almost-Equal-To 120 milliarcsec (mas) (240 AU in linear length) and a three-dimensional flow velocity of Almost-Equal-To 160 km s{sup -1}. The flow dynamical age is estimated to be only Almost-Equal-To 6 yr (at the time of the observation epochs of 2006-2007). Interestingly, the systemic velocity component clearly exhibits a spherically expanding outflow with a radius of Almost-Equal-To 36 AU and a flow velocity of Almost-Equal-To 9 km s{sup -1}. On the other hand, the OH maser spectrum shows double peaks with a velocity separation of Almost-Equal-To 25 km s{sup -1} (V{sub LSR} = 111-116 and 138-141 km s{sup -1}), as typically seen in circumstellar envelopes of OH/IR stars. The angular offset between the velocity-integrated brightness peaks of the two high-velocity H{sub 2}O components is Almost-Equal-To 25 mas (50 AU). The offset direction and the alignment of the redshifted maser spots are roughly perpendicular to the axis of the H{sub 2}O maser flow. High-accuracy astrometry for the H{sub 2}O and OH masers demonstrates that the collimated fast jet and the slowly expanding outflow originate from a single or multiple sources which are located within 15 mas (30 AU). On the other hand, the estimated systemic velocity of the collimated jet (V{sub sys} Almost-Equal-To 87-113 km s{sup -1}) has a large uncertainty. This makes it difficult to provide strong constraints on models of the central stellar system of IRAS 18460-0151.

79 ASTRONOMY AND ASTROPHYSICS↗

Higher Order Chemistry Models in the CFD Simulation of Laser-Ablated Carbon Plumes

Production of single-walled carbon nanotubes (SWNT) has taken place for a number of years and by a variety of methods such-as laser ablation, chemical vapor deposition, and arc-jet ablation. Yet, little is actually understood about the exact chemical kinetics and processes that occur in SWNT formation. In recent time, NASA Johnson Space Center has devoted a considerable effort to the experimental evaluation of the laser ablation production process for SWNT originally developed at Rice University. To fully understand the nature of the laser ablation process it is necessary to understand the development of the carbon plume dynamics within the laser ablation oven. The present work is a continuation of previous studies into the efforts to model plume dynamics using computational fluid dynamics (CFD). The ultimate goal of the work is to improve understanding of the laser ablation process, and through that improved understanding, refine the laser ablation production of SWNT. Fig. 1 shows a basic schematic of the laser-ablation oven at NASA-JSC. Construction of the facility is simple in concept. Two concentric quartz tubes of 1.5 mm thickness form the inner and outer tubes with inside diameters of 2.2 and 5.08 cm respectively. At one end of the inner tube are located two 60 Hz pulsed lasers operating at 1064 nm and 532 nm wavelength with beam diameters of 5 mm aligned coaxially with the longitudinal axis of the inner quartz tube. For standard nanotube production runs, a 10 ns 532 nm pulse is followed 50 ns later by a 10 ns 1064 nm pulse. Each pulse is of 300 mJ energy. A target of carbon graphite with approximately 1% nickel and cobalt catalysts is located at the other end of the inner quartz tube. In the ordinary processing of SWNT, a base flow of 100 sccm of argon is maintained from the laser location and exits past the carbon target at a pressure of 66.7 kPa. These conditions yield a baseline mass flow through the chamber of 2.723x10(exp -6)kg/s of argon. The whole oven facility is heated to a temperature of 1473 K prior to nanotube production runs. Upon laser irradiation, part of the carbon target ablates immediately and forms a carbon vapor plume that penetrates into the argon base flow towards the laser initially at supersonic velocities. In the previous studies either a single carbon species, C3, was used to model the plume development, or a simplified 11 species carbon model reduced down from the Krestinin and Moravsky model for full fullerene chemistry was used. While both of these options yielded significant results, it was felt that the actual chemistry occ&g in the carbon plume might have a greater affect on the plume than assumed. Indeed, in the earlier attempts at modeling the carbon plume, several thermophysical characteristics could never be matched to experimental observations of plume development - mainly the propagation distance of the plume itself. In the present study, two additional chemistry models will be used to duplicate the previous studies simulations of the carbon plume. The first chemistry model used in this study is again a reduced form of the Krestinin and Moravsky rates. However the highest order carbon species allowed has been increased from C6 to C30 - therefore allowing the simulation of up to a half of the standard C60 fullerene. The second chemistry model investigated is a reduced form of a full carbon nanotube model developed at NASA-JSC. The C30 studies have already been accomplished at the present time, and the reduced SWNT model studies are currently underway. To pursue the current study, one sacrifice had to be made in that the simulation grid spacing had to be increased from 0.5 mm spacing to 1 mm spacing for the sake of computational efficiency since computational effort is proportional to the square of the number of grid points multiplied by the number of species considered. propagation that is far more in line with the experimental results observed by Puretzky et al as shown in Fig. 2. e C6 studies had yielded a far greater propagation in previous studies. In addition, chemical species development with the C30 model indicates that many higher order carbon species are produced outside of the plume proper (indicated by plotting contours of the background argon concentrations in Fig. 3) - this result was not observed in previous studies. In fact, some species primarily occurred outside of the plume itself - as shown for C27 in Fig. 4 when it is compared to Fig. 3. It could be asserted that this has occurred because all of the C27 in the plume had already been consumed in the formation of C30, but this does not seem to be indicated over time. Several other factors that arose in the previous studies have also been made more clear by the use of the higher order chemical models - one being that the use of c6 as an indicator species was mistaken. C6 is the only carbon species in the previous studies that was not injected into the flowfield as a boundary condition; it was therefore hoped that this species would provide insight into the formation of higher order carbon species for comparison to full SWNT production. But, when the plot of total mass in the plume is examined on a species by species basis in Fig. 5, it is seen that Cg was a fairly insignificant contributor to the total carbon mass in the plume and would not provide information on higher order carbon formation. the thermophysical characteristics of the carbon plume as well as simulate the carbon plume using the reduced SWNT model to provide an even better simulation of full chemistry effects upon plume propagation.

Scott, C. D.↗

IM3 Projected US Data Center Locations

IM3 Projected US Data Center Locations This dataset contains model projections of new data center facilities in the contiguous United States (CONUS) through 2035 using the CERF – Data Centers model. Data center locations are modeled across four data center electricity demand growth scenarios (low, moderate, high, higher) and five market gravity scenarios (0%, 25%, 50%, 75%, 100%). Projected locations are intended to be regional representations of feasible siting locations in the future to assess potential grid and water stress impacts. The data center load growth scenarios correspond with the rates outlined in EPRI (2024) and include 3.71%, 5%, 10%, and 15% annual growth of electricity demand for data centers from 2023 values in 37 states across the CONUS. Market gravity scenarios correspond to the relative importance of proximity to data center markets or high population areas compared to locational cost in the siting algorithm. 0% market gravity means that siting decisions were entirely determined by the locational cost in each feasible location. 100% market gravity means that only market proximity was considered when siting. Other scenarios have weight placed on both components where total weight always equals 100%. Locational cost is dependent on facility cooling type and corresponding electricity cost, taxes, and other factors. Facility cooling type is spatially determined where high water stress and/or areas with high summer wet bulb temperatures are assumed to operate with mechanical cooling for a higher fraction of the year rather than evaporative cooling. Feasible data center siting areas are based on geospatial suitability raster data developed with open-source information. The following areas are excluded from siting: Areas within 300 m of a federal airport runway Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory Protected Areas Database of the United States (PAD-US) areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands Because we use open-source information, proprietary information that can influence siting decisions such as individual tax agreements with cities, detailed fiber line connectivity, electric grid power capacity agreements, and others, are not currently accounted for in the modeling process. Using specific building locations and footprints in the dataset for local planning purposes is not advised. Technical Information Geospatial data is provided in geojson format using the Albers Equal Area Conic (ESRI:102003) coordinate reference system. The datasets contain the following parameters: id - unique identification number within given scenario file growth_scenario – data center demand growth scenario market_gravity_weight – market gravity weight scenario (%) region – name of region (i.e., US State) total_cost_million_usd – locational siting cost ($million) campus_size_square_ft – total land acquired for data center facility (square ft) data_center_it_power_mw – IT power of data center facility (MW) mechanical_cooling_frac – fraction of year when data center uses mechanical cooling system water_cooling_frac– fraction of year when data center uses evaporative cooling system cooling_energy_demand_mwh – total annual facility energy demand for cooling (MWh) cooling_water_demand_mgy – total annual facility water demand for cooling (MG) cooling_water_consumption_mgy – total annual facility water consumed (MG) normalized_locational_cost – normalized total locational cost score for location normalized_gravity_score – normalized market gravity score for location weighted_siting_score – total weighted siting score of locational cost and gravity score geometry – polygon geometry of facility Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall (ORCID:0000000328077088)↗

IM3 Projected US Data Center Locations

IM3 Projected US Data Center Locations This dataset contains model projections of new data center facilities in the contiguous United States (CONUS) through 2035 using the CERF – Data Centers model. Data center locations are modeled across four data center electricity demand growth scenarios (low, moderate, high, higher) and five market gravity scenarios (0%, 25%, 50%, 75%, 100%). Projected locations are intended to be regional representations of feasible siting locations in the future to assess potential grid and water stress impacts. The data center load growth scenarios correspond with the rates outlined in EPRI (2024) and include 3.71%, 5%, 10%, and 15% annual growth of electricity demand for data centers from 2023 values in 37 states across the CONUS. Market gravity scenarios correspond to the relative importance of proximity to data center markets or high population areas compared to locational cost in the siting algorithm. 0% market gravity means that siting decisions were entirely determined by the locational cost in each feasible location. 100% market gravity means that only market proximity was considered when siting. Other scenarios have weight placed on both components where total weight always equals 100%. Locational cost is dependent on facility cooling type and corresponding electricity cost, taxes, and other factors. Facility cooling type is spatially determined where high water stress and/or areas with high summer wet bulb temperatures are assumed to operate with mechanical cooling for a higher fraction of the year rather than evaporative cooling. Feasible data center siting areas are based on geospatial suitability raster data developed with open-source information. The following areas are excluded from siting: Areas within 300 m of a federal airport runway or within an airport area boundary Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory USGS Protected Areas Database of the United States (PAD-US) GAP status 1, 2, or 3 areas US National Parks Wetlands USFWS critical habitats BIA land areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands Because we use open-source information, proprietary information that can influence siting decisions such as individual tax agreements with cities, detailed fiber line connectivity, electric grid power capacity agreements, and others, are not currently accounted for in the modeling process. Using specific building locations and footprints in the dataset for local planning purposes is not advised. Technical Information Geospatial data is provided in geojson format using the Albers Equal Area Conic (ESRI:102003) coordinate reference system. The datasets contain the following parameters: id - unique identification number within given scenario file growth_scenario – data center demand growth scenario market_gravity_weight – market gravity weight scenario (%) region – name of region (i.e., US State) total_cost_million_usd – locational siting cost ($million) campus_size_square_ft – total land acquired for data center facility (square ft) data_center_it_power_mw – IT power of data center facility (MW) mechanical_cooling_frac – fraction of year when data center uses mechanical cooling system water_cooling_frac– fraction of year when data center uses evaporative cooling system cooling_energy_demand_mwh – total annual facility energy demand for cooling (MWh) cooling_water_demand_mgy – total annual facility water demand for cooling (MG) cooling_water_consumption_mgy – total annual facility water consumed (MG) normalized_locational_cost – normalized total locational cost score for location normalized_gravity_score – normalized market gravity score for location weighted_siting_score – total weighted siting score of locational cost and gravity score geometry – polygon geometry of facility Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall (ORCID:0000000328077088)↗

Combined Heat and Power Systems Technology Development and Demonstration 370 kW High Efficiency Microturbine

The C370 Program was awarded in October 2010 with the ambitious goal of designing and testing the most electrically efficient recuperated microturbine engine at a rated power of less than 500 kW. The aggressive targets for electrical efficiency, emission regulatory compliance, and the estimated price point make the system state-of-the-art for microturbine engine systems. These goals will be met by designing a two stage microturbine engine identified as the low pressure spool and high pressure spool that are based on derivative hardware of Capstone’s current commercially available engines. The development and testing of the engine occurred in two phases. Phase I focused on developing a higher power and more efficient engine, that would become the low pressure spool which is based on Capstone’s C200 (200kW) engine architecture. Phase II integrated the low pressure spool created in Phase I with the high pressure spool, which is based on Capstone’s C65 (65 kW) commercially available engine. Integration of the engines, based on preliminary research, would allow the dual spool engine to provide electrical power in excess of 370 kW, with electrical efficiency approaching 42%. If both of these targets were met coupled with the overall CHP target of 85% total combined heating and electrical efficiency California Air Resources Board (CARB) level emissions, and a price target of $600 per kW, the system would represent a step change in the currently available commercial generation technology. Phase I of the C370 program required the development of the C370 low pressure spool. The goal was to increase the C200 engine power by a minimum of 25% — 250 kW — and efficiency from 32% to 37%. These increases in the C200 engine output were imperative to meet the power requirements of the engine when both spools were integrated. An additional benefit of designing and testing the C370 low pressure spool was the possibility of developing a stand-alone product for possible commercialization. The low pressure spool design activity focused on an aeropath derivative of the current C200 engine. The aeropath derivative included changes to the compressor section —compressor and inducer — and to the turbine nozzle. The increased power also necessitated a larger, more powerful generator and generator controller to support the increased power requirements. These two major design changes were completed by utilizing both advanced 3D modeling and computational fluid dynamics modelling. After design, modeling, and analysis, the decision was made to acquire and integrate the components for testing. The second task of Phase I was to integrate and test the components of the low pressure spool to validate power and efficiency. Acquisition of the components for the low pressure spool was completed utilizing Capstone’s current supplier base. Utilization of Capstone’s supply base for integration of the test article would allow — if the decision was made —expedited commercialization of the product. After integration of the engine components, the engine was tested and evaluated for performance and emissions. Test data analysis confirmed that the engine met all power and efficiency requirements and did so while maintaining CARB level emissions. The emissions were met without the use of any post processing or catalyst. After testing was completed, the DOE authorized — via a milestone review — proceeding to Phase II: the development of the integrated C370 engine. The C370 high pressure spool design activity required significant changes to the C65 engine architecture. The engine required a high power density generator, completely redesigned compressor stage, turbine section, recuperator, controls architecture, and intercooler stage asThe two most critical design challenges were the turbine section (the nozzle and turbine) and the controls architecture. The design and analysis of all of the components was completed and integrated into a system model. The system model — after numerous iterations — indicated that, once integrated, the engine will meet or exceed all system requirements. Unfortunately, the turbine section’s life requirements remain a technical challenge and will require continued refinement of the bi-metallic turbine wheel design and manufacturing approach to meet the life requirement at theses high temperatures. The current controls architecture requires substantial effort to develop a system capable of handling the high-speed, near real-time controls requirement, but it was determined not to be a technical roadblock for the project. The C370 Program has been a significant effort with state-of-the-art technical targets. The targets have pushed Capstone’s designers to the limits of current technology. The program has been fortunate to see many successes: the successful testing of the low pressure spool (C250), the development of new material processes, and the implementation of new design practices. The technology and practices learned during the program will be utilized in Capstone’s current product lines and future products. The C370 Program has been a resounding success on many fronts for the DOE and for Capstone.

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