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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

Abstract for Joint Work Statement 5 (AGMT-1005) between National Energy Technology Laboratory (NETL) and ExxonMobil Research and Engineering Company (EMRE) to Umbrella CRADA (AGMT-0922)

NETL and EMRE will focus on fundamental questions aimed at understanding the controlling factors on tight oil production flow paths and how those flow paths are impacted by the hydraulic fracturing fluids and processes. Key questions for the Parties to explore include the following: Are there geochemical reactions between hydrocarbon producing tight reservoir rocks and water from the hydraulic fracturing process? To what extent does this alteration impact oil production? By further characterizing the flow paths near the fracture-matrix interface, what is the relative impact of geochemical process compared to geomechanical changes on production? This research focuses on rock types found in the Permian Basin. The research drives along two main thrusts: 1) Inorganic geochemistry studies involving representative rock types, connate fluids (hydrocarbons and water), and injected fluids (fracturing water) will be conducted in order to bound the kinetics of key mineral reactions; 2) Computed tomography (CT) for characterization of flow paths as a function of geochemical and geomechanical processes associated with hydraulic fracture creation and reservoir production. The objective of this characterization is to ultimately develop new insights into the role geochemical and geomechanical effects play on production. The work will include studying mechanical damage near the rock-fracture interface and how it impacts flow properties.

02 PETROLEUM↗

Numerical Study of PAHs and Soot Emissions from Gasoline–Methanol, Gasoline–Ethanol, and Gasoline– n -Butanol Blend Surrogates

Soot formation is an intricate phenomenon, and soot propensity of a fuel is interwoven with the fuel composition, physical and chemical properties, and combustion environment. Here, the present study examines the hypothesis that in addition to the chemical composition of the fuel, the sooting nature of the fuel is closely coupled with its chemical property known as octane sensitivity (S). With this motivation, the present study numerically investigates the effects of gasoline surrogate composition and its property, octane sensitivity (S), on polycyclic aromatic hydrocarbons (PAHs) and soot emissions. Four-component toluene primary reference fuel (TPRF)–alcohol blends, comprising iso-octane, n-heptane, toluene, and one of the three different alcohols- methanol, ethanol, and n-butanol, are used as gasoline surrogates. A total of 320 TPRF–alcohol mixtures, with S in the range of 1–10, are examined under laminar counterflow diffusion flame conditions. A detailed chemical mechanism coupled with a comprehensive soot model, which includes reactions for soot inception, surface growth, PAH condensation, and oxidation, is adopted. The analysis indicates that the toluene content in the fuel mixture has a prominent effect, while the alcohol content and octane sensitivity of the fuel have a weak correlation with the PAHs and soot. Thus, it is not clear if any of these three variables, namely, toluene content in the fuel, alcohol content in the fuel, and S, are individually sufficient to characterize the PAHs and soot across various blends. For this reason, a new variable (X CHO ) based on the elemental composition of the fuel mixture is identified and it is shown that X CHO along with S of the fuel characterize soot emissions satisfactorily. Further, a reaction path analysis indicates that the efficacy of alcohols in reducing soot emissions follows the order: methanol > ethanol > n-butanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Visualizing bleb mass dynamics in single cells using quantitative phase microscopy

Understanding biological responses to directed energy (DE) is critical to ensure the safety of personnel within the Department of Defense. At the Air Force Research Laboratory, we have developed or adapted advanced optical imaging systems that quantify biophysical responses to DE. One notable cellular response to DE exposure is the formation of blebs, or semi-spherical protrusions of the plasma membrane in living cells. In this work, we demonstrate the capacity of quantitative phase imaging (QPI) to both visualize and quantify the formation of membrane blebs following DE exposure. QPI is an interferometric imaging tool that uses optical path length as a label-free contrast mechanism and is sensitive to the non-aqueous mass density, or dry mass, of living cells. Blebs from both CHO-K1 and U937 cells were generated after exposure to a series of 600 ns, 21.2 kV/cm electric pulses. These blebs were visualized in real time, and their dry mass relative to the rest of the cell body was quantified as a function of time. It is our hope that this system will lead to an improved understanding of both DE-induced and apoptotic blebbing.

Steelman, Zachary A.↗

Design-Technology Co-Optimization for NVM-based Neuromorphic Processing Elements

An emerging use-case of machine learning (ML) is to train a model on a high-performance system and deploy the trained model on energy-constrained embedded systems. Neuromorphic hardware platforms, which operate on principles of the biological brain, can significantly lower the energy overhead of a machine learning inference task, making these platforms an attractive solution for embedded ML systems. In this paper, we present a design-technology tradeoff analysis to implement such inference tasks on the processing elements (PEs) of a Non-Volatile Memory (NVM)-based neuromorphic hardware. Through detailed circuit-level simulations at scaled process technology nodes, we show the negative impact of technology scaling on the information-processing latency, which impacts the quality-of-service (QoS) of an embedded ML system. At a finer granularity, the latency inside a PE depends on 1) the delay introduced by parasitic components on its current paths, and 2) the varying delay to sense different resistance states of its NVM cells. Based on these two observations, we make the following three contributions. First, on the technology front, we propose an optimization scheme where the NVM resistance state that takes the longest time to sense is set on current paths having the least delay, and vice versa, reducing the average PE latency, which improves the QoS. Second, on the architecture front, we introduce isolation transistors within each PE to partition it into regions that can be individually power-gated, reducing both latency and energy. Finally, on the system-software front, we propose a mechanism to leverage the proposed technological and architectural enhancements when implementing a machine-learning inference task on neuromorphic PEs of the hardware. Evaluations with a recent neuromorphic hardware architecture show that our proposed design-technology co-optimization approach improves both performance and energy efficiency of machine-learning inference tasks without incurring high cost-per-bit.

42 ENGINEERING↗

Computational Design of Alloys for Energy Technologies

Advanced materials that maintain their mechanical performance under elevated temperatures, corrosive environments, and a range of static and evolving stresses are needed to improve the efficiency and reduce the environmental impact of a wide spectrum of energy technologies. For instance, cost-efficient alloys that can withstand high temperatures (e.g., 700 °C) have a critical role in improving the efficiency and economics of power generation to support decarbonization of the energy sector; such is true of both the nuclear and fossil energy sectors. Considering both the threats of the energy crisis, namely soaring costs of greenhouse gas emission-producing energy and climate change, it is essential to increase the pace of material discovery and enable rapid paths for material qualification to advance clean energy technologies. Conventionally, alloy development has followed a slow Edisonian process that uses repeated cycles of making, characterizing, and modifying to arrive at optimum composition and processing conditions to achieve the desired component performance. This optimization is followed by the necessary stepwise materials qualification. Furthermore, the increasing adoption of sound data management and physics-informed machine learning represents the next step in the acceleration of materials design and development. In the integrated computational materials engineering (ICME) approach, computational modeling and simulation data from different length and time scales can be combined with complex microstructural details from multimodal experimental characterization and selective property testing to close the design loop for rapid alloy development.

Computational Design Of Materials↗

Simulations and Experimental Verifications of an Algorithm for Radiation Source Mapping and Navigational Path Generation

Accurate and efficient mapping and localization of both ionizing and non-ionizing radiation sources are important across many different fields. As such, a versatile mapping and navigational path generation algorithm, which can be applied to any point source measurements that follow an inverse-square characteristic, was developed using non-linear least squares methods. Forty thousand simulations were performed on the algorithm, which located sources successfully in a 10 m × 10 m × 10 m three-dimensional space with a success rate of over 80% across different noise functions, given a proportional constant of 10 to 1,000. The algorithm was also verified experimentally with small-scale radioactive decontamination of a 70 cm × 70 cm surface and localization of a lost Wi-Fi router in a 70 m × 70 m open field. One hundred twenty-one measurements were taken from each experiment, which were then fed into the algorithm for navigation. For the radioactive 137Cs source, the estimated locations were within 7 cm × 7 cm of the answer in 79.3% of the scenarios, while the Wi-Fi router was located to within 7 m × 7 m in 57.9% of the tests. In general, the method requires much less information and data than a geographically comprehensive survey and thus shows a lot of potential for practical applications, such as lost source retrieval with unmanned aerial vehicles, small-scale decontamination, mapping undocumented Wi-Fi routers or radio towers, and radiation simulation with radio signals. Here, the different failure modes, desirable features, and potential improvements were also identified but remain as future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Improving the Advancement of Women in Computer and Computational Science Research with the CRA-W Career Mentoring Workshops (Final Report)

The mission of the Computing Research Association’s Committee on Widening Participation in Computing Research (CRA-WP) is to widen the participation and improve the access, opportunities, and positive experiences of individuals from groups underrepresented in computing research and education. CRA-WP programs serve this overarching goal at all career stages; in addition, CRA-WP, through the formation of the CRA Center for Evaluating the Research Pipeline (CERP), has developed a methodology for thoroughly evaluating the success of its programs by comparing a nationwide sample of students, researchers, and faculty (non-participants) to program participants. Achieving these objectives requires that an increasing number of individuals from populations underrepresented in computing start and progress to the next stage while understanding and supporting the myriad computing pathways. CRA-WP offers programs for participants from undergraduate to senior professional levels. Different career stages need different types of interventions, and the goal of all Alliance program activities can be described within the unifying framework of Social Cognitive Career Theory, which finds that interest in and choice of a particular career path will be increased by interventions that improve one or more of the following: (1) outcome expectations (understanding and valuing the rewards of a particular outcome), (2) self-efficacy (a belief that one can successfully achieve an outcome), and (3) social supports that help one persist and overcome obstacles.

97 MATHEMATICS AND COMPUTING↗

Paving the Way for Net Zero Energy Codes through Performance Based Approaches

The prescriptive path is the most widely used approach for commercial code compliance in the United States. However, to achieve near-term net zero energy performance that many stakeholders in the buildings industry desire, it is clear that energy codes will need to transition from prescriptive to performance-based approaches. However, that transition is not without potential pitfalls. Among the concerns expressed by stakeholders are added complexity and cost, lack of confidence in energy modeling results, gamesmanship on the part of applicants, lack or qualified reviewers, challenges in promoting de-carbonization, and the inequity of trading long lived envelope efficiency for short lived measures such as building controls. This paper will discuss multiple approaches being evaluated and implemented by Pacific Northwest National Laboratory to improve the usability of the performance-based approach for both code compliance and beyond code programs to meet aggressive energy savings targets. A 'system performance' approach provides a simpler approach compared to whole building performance, while keeping tradeoffs limited to specific building systems. A simplified whole-building performance-based approach for small commercial buildings can cost effectively achieve deeper savings for buildings that typically follow the prescriptive compliance approach. Improved reporting and verification processes applied to the traditional performance path can provide greater confidence in simulation results and facilitate adoption of performance-based approaches. Prescriptive packages provide prescriptive solutions while targeting specific performance thresholds. This paper discusses the progress being made with each of these approaches and provides examples of their implementation in energy codes and beyond code programs.

Performance Based Codes, Appendix G, PRM, TSPR, Sy↗

Powering the Blue Economy: A Survey of Station-Keeping Methods for Mooringless Platforms

The term “ocean platform” is used to reference everything from stationary, typically moored, buoys to mobile water vehicles, whether they operate on the ocean’s surface or underwater. For certain applications for which relatively stationary station-keeping conditions are desired, the use of mooring systems is not always a viable alternative either for economic, environmental, regulatory, or otherwise practical reasons, or a combination thereof, (e.g., short deployments, sensitive ecosystems, very deep project sites). Maintaining a platform at a single waypoint or reference location without being moored would require additional control systems and a power source to counteract the drift forces that would naturally displace it. Mobile platforms, which are usually untethered except for remotely operated vehicles, typically require energy input to power their station-keeping capabilities so that they hold or control their location in the ocean. Currently, most of these platforms use combustion engines or batteries for this purpose, which, depending on the specific systems, may be costly, pollute the environment, or create limitations on the length of the deployment. However, powering this kind of platforms with surrounding renewable resources (waves, currents, winds, or sun) has been identified as a promising solution to expand their application. The intent of this report is to investigate station-keeping methods for various ocean platforms that are not moored or otherwise anchored to the ocean floor, or another platform or vessel, paying particular interest to technologies that use marine renewable resources to power their operation, because that is of particular interest to the U.S. Department of Energy’s Powering the Blue Economy (PBE) initiative. As a first step, 72 articles and technical reports related to mooringless station-keeping methods were collected for review. The preliminary literature review provided a broad overview of common themes across the literature from which a descriptive methodology for analyzing various platforms was developed. That is, station-keeping methods were categorized based on their predominant energy source and consumption (renewable, nonrenewable, or hybrid if the platform uses renewable and nonrenewable resources equally), and their localization strategy (drift reduction, “path-planning or “waypoint-holding”). In addition, platform types were segregated into the following groups: buoys, surface drifters, and unoccupied surface vehicles (USVs); offshore renewable energy systems; and unoccupied underwater vehicles (UUVs). The main types of station-keeping methods encountered in this report achieve their intended localization strategy by means of drift mitigation, steering, and/or propulsion. Drift mitigation is commonly accomplished via drogues and sea anchors. Stand-along steering subsystems use control surfaces (e.g., ship rudder, wing sail, etc.) that react to ocean currents, waves, or winds to provide varying-degrees of course adjustments. Combined steering and propulsion subsystems include differential thrusters, directional thrusters separate from a primary thruster that cause the platform to pitch up/down or yaw clockwise/counterclockwise, or vectored thrusters that direct the propulsion in a range of directions relative to the platform’s local coordinate system. Propulsion is often achieved by running a motor and applying active control strategies but can also involve buoyancy shifts and using sails to generate lifting forces that propel a platform in a desired direction. Future research is primarily expected to take place in the form of a technoeconomic analysis that would aim to determine the technological viability, cost, and added value of mooringless station-keeping use cases identified through this research, including docking for UUV recharging or for georeferencing drifter buoys, deep-sea floating wind farms, U.S. Navy sonar arrays, and a Pacific Ocean wave buoy network.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Around Which Stars Can TESS Detect Earth-like Planets? The Revised TESS Habitable Zone Catalog

In the search for life in the cosmos, NASA’s Transiting Exoplanet Survey Satellite (TESS) mission has already monitored about 74% of the sky for transiting extrasolar planets, including potentially habitable worlds. However, TESS only observed a fraction of the stars long enough to be able to find planets like Earth. We use the primary mission data—the first two years of observations—and identify 4239 stars within 210 pc that TESS observed long enough to see three transits of an exoplanet that receives similar irradiation to Earth: 738 of these stars are located within 30 pc. We provide reliable stellar parameters from the TESS Input Catalog that incorporates Gaia DR2 and also calculate the transit depth and radial velocity semiamplitude for an Earth-analog planet. Of the 4239 stars in the Revised TESS HZ Catalog, 9 are known exoplanet hosts—GJ1061, GJ1132, GJ3512, GJ685, Kepler-42, LHS1815, L98-59, RRCae, and TOI700—around which TESS could identify additional Earth-like planetary companions. Thirty-seven additional stars host yet unconfirmed TESS Objects of Interest: three of these orbit in the habitable zone—TOI203, TOI715, and TOI2298. For a subset of 614 of the 4239 stars, TESS has observed the star long enough to be able to observe planets throughout the full temperate, habitable zone out to the equivalent of Mars’ orbit. Thus, the Revised TESS Habitable Zone Catalog provides a tool for observers to prioritize stars for follow-up observation to discover life in the cosmos. These stars are the best path toward the discovery of habitable planets using the TESS mission data.

79 ASTRONOMY AND ASTROPHYSICS↗

A Universal Controller for Grid-Forming Inverters in Microgrid during Islanding for Low Transient Current

This paper presents a universal controller to reduce the transient current during islanding of microgrid. In the proposed universal controller, two sets of semi-parallel paths are formed, where one set produces voltage and phase-angle references for the grid-following (GFL) mode, and the other set produces the voltage and phase-angle references for the grid-forming (GFM) mode of operation for the inverters. Herein, the controller enables an inverter to universally operate in GFL and GFM mode, whereas, only one set of voltage and phase-angle reference is engaged for PWM signal generation. When the microgrid is disconnected from the grid, the universal controller switches the voltage and phase-angle references from GFL to GFM mode. The proposed controller ensures lower transient current by keeping the two sets of semi-parallel paths synchronized throughout the operation of the inverter and enabling seamless transition between the modes. The proposed controller is verified through hardware experiments under different scenarios in a laboratory scale microgrid for inverters transitioning from GFL to GFM mode after islanding.

Sadeque, Fahmid↗

Characteristics of oxide-dispersion strengthened alloys produced by high-temperature severe deformation

This study is to explore an economically attractive and technically feasible processing method for oxide-nanoparticle strengthened alloys for fusion reactor application. Despite many scientific merits of the advanced oxide-dispersion strengthened (ODS) alloys, such as the nanostructured ferritic alloy (NFA) 14YWT, the only viable production path for a high-quality NFA is the high-power mechanical alloying process. This process is often a multi-day high-speed ball milling of alloy powder with a small quantity of yttria (Y 2 O 3 ) powder, followed by the milled-powder consolidation using extrusion or other methods and additional thermomechanical processing (TMP) for property control. This complex production path, including the low-temperature mechanical alloying in particular, has limited technical advancement toward the cost-effective and scale-up production of ODS alloy components. To overcome such a practical limitation, we proposed to explore alternative low-cost processing routes using traditional thermomechanical processing (TMP) method only. Further, a series of continuous TMP cycles, which were designed to impose high-temperature severe plastic deformation (HT-SPD) conditions to the consolidated powder mixtures, were applied to achieve the effective distribution of oxide particles in nanograin structure and thus desirable mechanical properties. Since the reduced-activation ferritic-martensitic (RAFM) alloy powders (Fe-10Cr and Fe-14Cr alloys with various Y contents) are available in our inventory, we focused to utilize the new solid-state synthesis approach for controlling oxide (oxygen source) dissolution and nanoscale clustering in nanograin structure in those alloys. A combination of powder consolidation at 900 °C and continuous thermomechanical activation at 600 °C yielded two essential ODS alloy microstructure contents–nanograin structure and nanoparticle distribution–and thus demonstrated a good combination of strength and ductility.

36 MATERIALS SCIENCE↗

Bra-ket wormholes in gravitationally prepared states

We consider two dimensional CFT states that are produced by a gravitational path integral. As a first case, we consider a state produced by Euclidean AdS2 evolution followed by flat space evolution. We use the fine grained entropy formula to explore the nature of the state. We find that the naive hyperbolic space geometry leads to a paradox. This is solved if we include a geometry that connects the bra with the ket, a bra-ket wormhole. The semiclassical Lorentzian interpretation leads to CFT state entangled with an expanding and collapsing Friedmann cosmology.

2D Gravity↗

Scaling of silicon nanoparticle growth in low temperature flowing plasmas

Low temperature plasmas are an emerging method to synthesize high quality nanoparticles (NPs). An established and successful technique to produce NPs is using a capacitively coupled plasma (CCP) in cylindrical geometry. Although a robust synthesis technique, optimizing or specifying NP properties using CCPs, is challenging. In this paper, results from a computational investigation for the growth of silicon NPs in flowing inductively coupled plasmas (ICPs) using Ar/SiH 4 gas mixtures of up to a few Torr are discussed. ICPs produce more locally constrained and quiescent plasma potentials. These positive plasma potentials produce an electrostatic trap for negatively charged NPs, which can significantly extend the residence time of NPs in the plasma, which in turn provides a controllable period for particle growth. The computational platforms used in this study consist of a two-dimensional plasma hydrodynamics model, a three-dimensional nanoparticle growth and trajectory tracking model, and a molecular dynamics simulation for deriving reactive sticking coefficients of silane radicals on Si NPs. Trends for the nanoparticle growth as a function of SiH 4 inlet fraction, gas residence time, energy deposition per particle, pressure, and reactor diameter are discussed. The general path for particle synthesis is the trapping of small NPs in the positive electrostatic potential, followed by entrainment in the gas flow upon reaching a critical particle size. Optimizing or controlling NP synthesis then depends on the spatial distribution of plasma potential, the density of growth species, and the relative time that particles spend in the electrostatic trap and flowing through higher densities of growth species upon leaving the trap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the Dynamics of the Carbon–Bromine Bond Dissociation in the 1-Bromo-2-Methylnaphthalene Radical Anion

This paper studies the mechanism of electrochemically induced carbon–bromine dissociation in 1-Br-2-methylnaphalene in the reduction regime. In particular, the bond dissociation of the relevant radical anion is disassembled at a molecular level, exploiting quantum mechanical calculations including steady-state, equilibrium and dissociation dynamics via dynamic reaction coordinate (DRC) calculations. DRC is a molecular-dynamic-based calculation relying on an ab initio potential surface. This is to achieve a detailed picture of the dissociation process in an elementary molecular detail. From a thermodynamic point of view, all the reaction paths examined are energetically feasible. The obtained results suggest that the carbon halogen bond dissociates following the first electron uptake follow a stepwise mechanism. Indeed, the formation of the bromide anion and an organic radical occurs. The latter reacts to form a binaphthalene intrinsically chiral dimer. This paper is respectfully dedicated to Professors Anny Jutand and Christian Amatore for their outstanding contribution in the field of electrochemical catalysis and electrosynthesis.

1-bromo-2-methylnaphthalene↗

BPS Wilson loop in $\mathcal{N}$ = 2 superconformal SU(N) “orientifold” gauge theory and weak-strong coupling interpolation

We consider the expectation value \( \left\langle \mathcal{W}\right\rangle \) of the circular BPS Wilson loop in \( \mathcal{N} \) = 2 superconformal SU( N ) gauge theory containing a vector multiplet coupled to two hypermultiplets in rank-2 symmetric and antisymmetric representations. This theory admits a regular large N expansion, is planar-equivalent to \( \mathcal{N} \) = 4 SYM theory and is expected to be dual to a certain orbifold/orientifold projection of AdS 5 × S 5 superstring theory. On the string theory side \( \left\langle \mathcal{W}\right\rangle \) is represented by the path integral expanded near the same AdS 2 minimal surface as in the maximally supersymmetric case. Following the string theory argument in [5], we suggest that as in the \( \mathcal{N} \) = 4 SYM case and in the \( \mathcal{N} \) = 2 SU( N ) × SU( N ) superconformal quiver theory discussed in [19], the coefficient of the leading non-planar 1/ N 2 correction in \( \left\langle \mathcal{W}\right\rangle \) should have the universal λ 3/2 scaling at large ’t Hooft coupling. We confirm this prediction by starting with the localization matrix model representation for \( \left\langle \mathcal{W}\right\rangle \) . We complement the analytic derivation of the λ 3/2 scaling by a numerical high-precision resummation and extrapolation of the weak-coupling expansion using conformal mapping improved Padé analysis.

1/N Expansion↗

Asymmetric Reaction Pathways of Conversion-Type Electrodes for Lithium-Ion Batteries

Metal oxides have been actively explored as promising conversion-type electrode materials for lithium ion batteries due to high deliverable capacity but still notorious for poor cyclability, capacity fading, voltage hysteresis, etc. Yet, the fundamental reason for the undesirable properties of metal oxides behind the repetitive conversion process is still obscure. In this work, we take advantage of synchrotron X-ray techniques as well as transmission electron microscopy to monitor the structural changes during both conversion (lithiation) and reconversion (delithiation) reactions. Difference in diffusion rates of lithium and metal plays a decisive role in determining the reaction pathway. We find lithium accommodation and extraction occur via different reaction routes: lithiation follows a kinetically driven way while delithiation adopts a route close to the thermodynamic ground state path. Thermodynamic structural evolution features the formation of an intermediate phase of Li-Metal (M)-O, suggesting lithium removal accompanies with the Li/M ionic exchange and rearrangement of oxygen framework. The slow diffusion of metal ions and the high kinetic and energy barrier for dissociating the intermediate phase are mainly responsible for uncompleted reconversion reaction, evidenced by remaining Li-M-O phase at the end of charge. Imperfect reconversion reaction eventually limits the utilization of lithium ions over the repeated cycling. Furthermore, this work sheds light on structural changes occurring at metal oxides during both conversion and reconversion processes, which is strongly linked with the performances of conversion-type materials in applications.

25 ENERGY STORAGE↗