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At least 1,153 records · Page 64

Structure-dependent clustering-to-declustering solute segregation transitions near disconnections

Grain-boundary disconnections, characterized by a step and a dislocation, are pervasive interfacial line defects that play a critical role in governing the properties and performance of nanocrystalline alloys. Although segregation of alloying elements is frequently observed at GB disconnections, the underlying mechanisms remain poorly understood, particularly at elevated temperatures and non-dilute conditions. In this study, we employ atomistic simulations to study the segregation behavior of Ag at various faulted disconnections in Cu as a model material system. Our results demonstrate a pronounced size and compactness effect on the segregation behavior: more compact faulted disconnection structures promote the formation of Ag segregation clusters due to a highly localized tensile field, whereas more spread faulted disconnection structures (i.e., with wider partial dislocation spacing) exhibit much weaker clustering tendencies. Furthermore, with increasing temperature, Ag clustering in small disconnections initially intensifies and then disappears, indicating a thermally driven transition from clustering to declustering segregation behavior.

Disconnections↗

Estimating biofuel contaminant concentration from 4D ERT with mixing models

Here, we present the results of a lab-scaled feasibility study to assess the performance of electrical resistivity tomography for detection, characterization, and monitoring of fuel grade ethanol releases to the subsurface. Further, we attempt to determine the concentration distribution of the ethanol from the electrical resistivity tomography data using mixing-models. Ethanol is a renewable fuel source as well as an oxygenate fuel additive currently used to replace the known carcinogen methyl tert-butyl ether; however, ethanol is preferentially biodegraded and a cosolvent. When introduced to areas previously impacted by nonethanol-based fuels, it will facilitate the persistence of carcinogenic fuel compounds like benzene and ethylbenzene, as well as remobilize them to the ground water. These compounds would otherwise be retained in the soil column undergoing active or passive remediation processes such as soil vapor extraction or natural attenuation. Here, we introduce ethanol to a saturated Ottawa sand in a tank instrumented for four-dimensional geoelectrical measurements. Forward model results suggest pure phase ethanol released into a water saturated silica sand should present a detectable target for electrical resistivity tomography relative to a saturated silica sand only. We observe the introduction of ethanol to the closed hydraulic system and subsequent migration over the duration of the experiment. One-dimensional and three–dimensional temporal data are assessed for the detection, characterization, and monitoring of the ethanol release. Results suggest one-dimensional geoelectrical measurements may be useful for monitoring a release, while three-dimensional geoelectrical field imaging would be useful to characterize, monitor, and design effective remediation approaches for an ethanol release, assuming field conditions do not preclude the application of geoelectrical methods. We then attempt to use predictive mixing models to calculate the distribution of ethanol concentration within the measurement domain. For this study we examine four different models: a nested parallel mixing model, a nested cubic mixing model, the complex refractive index model (CRIM), and the Lichtenecker-Rother (L-R) model. The L-R model, modified to include an electrical formation factor geometry term, provided the best agreement with expected EtOH concentrations.

09 BIOMASS FUELS↗

Disentangling the gap between pure and mixed-gas performance of thin film composite membranes through improved cell design and testing methods

Testing thin film composite (TFC) membrane coupons at low stage-cuts (≤5%) in a sweep-gas permeation system is a common practice to obtain mixed-gas separation properties for benchmarking performance and making scale-up decisions. However, even under these idealized conditions, mixed-gas permeance and selectivity can be more than 30% lower than their pure-gas values, partially due to concentration polarization, an effect that typically intensifies with increased membrane permeance. This study investigates the effect of cell design on mixed-gas testing using PolyActive TM TFC membranes with pure-gas CO 2 permeance of 1700 – 3100 gas permeance unit (GPU), covering the permeance range of most state-of-the-art CO 2 /N 2 separation membranes. Here, we designed and 3D-printed a counter-current permeation cell with enhanced feed and sweep flow efficiency, resulting in a 33 – 41% increase in mixed-gas CO 2 permeance compared to traditional permeation cells. Furthermore, we compared sweep-gas and vacuum permeation methods using traditional permeation cells, revealing that the latter delivers 41% higher mixed-gas CO 2 permeance, because vacuuming effectively minimizes the downstream concentration polarization. These findings highlight the importance of cell design and permeation apparatus selection in lab-scale mixed-gas testing, with strong implications for module design and process optimization at the industrial scale.

mixed gas performance↗

Final Technical Report

The Department of Energy is interested in technologies that support the sustainable production of fuels, chemicals, and other bioproducts from plant biomass, to offset the nation’s reliance on fossil resources. The plant cell wall of energy crops provides the largest reservoir of raw materials for bioproducts. However, the widespread use of plant cell walls is hampered by their complexity and resistance to breakdown. To improve the productivity and cost-effectiveness of using energy crops to generate bioproducts, the fundamental problem of deconstructing plant cell walls must be addressed. This project developed and evaluated an innovative genetic modification technology to produce strategically designed enzymes that specifically accumulate in the plant cell wall. The resulting enzyme-engineered energy crops are expected to grow normally under natural conditions but break down more quickly and easily under high temperature during the production of biobased products. As such, this plant cell wall targeting enzyme engineering effort will reduce the cost of plant cell wall deconstruction and ultimately improve the economics of bioproducts. The overall objective of this project is to develop and evaluate the in-planta enzyme engineering technology to reduce lignocellulose deconstruction cost. The concept was first validated using tobacco plant, a model plant system that is typically used in lab testing for initial concept validation. Then the enzyme optimization was validated using switchgrass, the energy crop to be used to produce bioproducts. There are three specific objectives in this Phase I project: (1) validate the enzyme optimization concept using tobacco plant, a model plant system. (2) validate the enzyme optimization concept using switchgrass. (3) techno-economic analysis (TEA) for further scale-up application. By the end of this project, in-planta enzyme engineering was validated in both tobacco and switchgrass plants, with improved enzyme activity and saccharification efficiency. The in-planta enzyme engineering in Tabacco didn’t have a significant impact on plant growth and development. Transgenic tobacco plants with in-planta cellulose degrading enzymes showed higher biomass digestibility than wild type. Gene construction and transformation in switchgrass was much longer than expected, which delayed the research progress. Besides, in-planta engineering of lignin degrading enzyme is more challenging than cellulose degrading enzyme, in terms of expression detection. Expression of lignin degrading enzyme and cellulose degrading enzyme improved biomass yield and saccharification efficiency of switchgrass, respectively. It is promising to express both genes in switchgrass for optimized overall performance. According to the results of TEA, switchgrass biomass production cost is mainly attributed to by fertility and harvesting. Biomass production profit can increase up to 10-fold depending on biomass price. The PHA production profit is also sensitive to the biomass price. The proposed technology could potentially reduce the biomass deconstruction cost from 33% to 9% of PHA revenue, making the biomass-based PHA competitive to petroleum-based polymers even in case of relatively high biomass price of biomass. Therefore, cultivation of the genetically engineered self-deconstruction switchgrass for Polyhydroxyalkanoate (PHA) production could benefit switchgrass grower and PHA producer with attractive profits for both sectors. This new enzyme optimization approach will be beneficial for bioindustries that use energy crops as feedstocks. It will improve the economic viability of converting energy crops to renewable products that support a sustainable society and helps address the Nation’s long-term strategic needs for renewable products and reduction of reliance on fossil resources.

42 ENGINEERING↗

Electrochemical Mitigation of Corrosion in Molten Chloride Salts During CSP Plant Operation

We are designing an electrochemical flow-cell for removal of corrosive impurities from molten chloride salt Gen3 Concentrating Solar Power (CSP) plants during plant operation. Corrosive impurities will inevitably form in molten chloride salts upon exposure to air and moisture. We previously showed that even small amounts of these impurities, especially MgOHCl, will be detrimental in Gen3 CSP plants, necessitating prohibitively expensive containment alloys and frequent replacement of corroded components. Pre-purification of salt with Mg metal at temperatures above 650 degrees C is the current method for removing corrosive impurities from chloride salts before they are introduced to CSP systems. However, this is not a suitable method for impurity removal during plant operation. First, this method will produce MgO particulates which will damage plant components. Second, Mg metal is solid at the low temperature point (500 degrees C), so the purification will not proceed at a fast rate. At the high temperature point, Mg is soluble. In this case, fast purification may proceed, but dissolved metal is likely to precipitate out in cold-temperature point components, causing damage. In contrast, our electrochemically driven method allows fast Mg-based purification to proceed at the low temperature point, without formation of harmful particulates and without the risk of Mg metal precipitation. This novel approach is inspired by electrorefining techniques that are widely employed in industrial metallurgy for removal of impurities from metals. Impurities in the incoming molten salt will be reduced to inert MgO at the cathode, which can be removed by periodically washing the cell with acid. Simultaneously, Mg dissolution at the anode will ensure salt composition is maintained, with no net removal of Mg2+. We have validated this electrochemical approach at lab scale under static conditions with batch rectors. Furthermore, we have performed analytical modeling and technoeconomic analysis to produce a preliminary engineering design for the purification flow cell.

CSP↗

Methods to Measure, Predict and Relate Friction, Wear and Fuel Economy

High-fidelity measurements of the coefficient of friction and the parasitic friction power of the power cylinder components have been made for the Isuzu 5.2L 4H on-highway engine. In particular, measurements of the asperity friction coefficient were made with test coupons using Argonne National Lab’s (ANL) reciprocating test rig for the ring-on-liner and skirt-on-liner component pairs. These measurements correlated well with independent measurements made by Electro-Mechanical Associates (EMA). In addition, surface roughness measurements of the Isuzu components were made using white light interferometer (WLI). The asperity friction and surface characterization are key inputs to advanced CAE simulation tools such as RINGPAK and PISDYN which are used to predict the friction power and wear rates of power cylinder components. Finally, motored friction tests were successfully performed to quantify the friction mean effective pressure (FMEP) of the power cylinder components for various oils (High viscosity 15W40, low viscosity 5W20 with friction modifier (FM) and specially blended oil containing consisting of PAO/ZDDP/MoDTC) at 25, 50, and 110°C.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

X-SAR: The X-band synthetic aperture radar on board the Space Shuttle

The X-band synthetic aperture radar (X-SAR) is the German/Italian contribution to the NASA/JPL Shuttle Radar Lab missions as part of the preparation for the Earth Observation System (EOS) program. The Shuttle Radar Lab is a combination of several radars: an L-band (1.2 GHz) and a C-band (5.3 GHz) multipolarization SAR known as SIR-C (Shuttle Imaging Radar); and an X-band (9.6 GHz) vertically polarized SAR which will be operated synchronously over the same target areas to deliver calibrated multifrequency and multipolarization SAR data at multiple incidence angles from space. A joint German/Italian project office at DARA (German Space Agency) is responsible for the management of the X-SAR project. The space hardware has been developed and manufactured under industrial contract by Dornier and Alenia Spazio. Besides supporting all the technical and scientific tasks, DLR, in cooperation with ASI (Agencia Spaziale Italiano) is responsible for mission operation, calibration, and high precision SAR processing. In addition, DLR developed an airborne X-band SAR to support the experimenters with campaigns to prepare for the missions. The main advantage of adding a shorter wavelength (3 cm) radar to the SIR-C radars is the X-band radar's weaker penetration into vegetation and soil and its high sensitivity to surface roughness and associated phenomena. The performance of each of the three radars is comparable with respect to radiometric and geometric resolution.

Werner, Marian U.↗

FAIR Surrogate Benchmarks Supporting AI and Simulation Research (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia (UVA). SBI repositories include data, code, and all relevant collateral artifacts that the science and engineering community need to use and reuse these data sets and surrogates. SBI repositories generate active research from both the participants in SBI and the broad community of AI and domain scientists. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and captures them as surrogate benchmarks with a rich set of metadata covering: Data; Model; Metrics specification; Machine specification; and Science, Speed, and Power Results. We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non-Surrogate benchmarks that have many common features and similar issues as regards FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, Benchmarks have datasets, models, and metadata and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING↗

Summary of Space Environment Magnetometer and Particle Replacement Experiment (SEMPRE) Study

As part of the GOES-R series follow on architecture study following the NOAA Satellite Observing System Architecture (NSOSA) study, a study team evaluated the feasibility of accommodating the GOES in-situ instruments (Magnetometer and Particle Detectors) on a dedicated spacecraft with no impact to the overall baseline mission cost assuming two large observatories. The accommodations cost on a primary operational type observatory are non-negligible requiring: a large non-magnetic boom to reduce the impact of the spacecraft interference on the magnetometer; and strict contamination control and magnetic cleanliness to prevent magnetic contamination near the magnetometers. These, along with the additional interface complexities greatly increase the cost of larger spacecraft by extending integration time with a large marching army. By contrast, a dedicated mission provides flexibility in location and refresh rate not afforded when these sensors are launched as secondary payloads. This study performed an informal industry survey of small form-factor instruments currently flying or in process of being developed. The study identified three potential particle detector suites and multiple magnetometers that will satisfy the requirements while having low enough volume and mass to allow accommodation on a rideshare class spacecraft. Using the largest of the identified particle detector suites, the Goddard Space Flight Center Mission Design Lab developed a design for a rideshare spacecraft that will accommodate the particle detector suite and magnetometer. The cost of the spacecraft, based on multiple cost models, is comparable to the cost of accommodating the magnetometer and particle detector suite on two (East and West) larger main observatories.

Todirita, Monica↗

Integrating Energy-Efficient Computing with Computational Research to Accelerate Energy Technology

NREL's computational sciences center hosts the largest high performance computing (HPC) capabilities dedicated to energy research while functioning as a living laboratory for energy-efficient computing. NREL's HPC capabilities support the research needs of the Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). In ten years of operation, HPC use in EERE-sponsored research has grown by a factor of 30, including work in electricity generation, energy efficiency, transportation, and energy system modeling. This paper analyzes this research portfolio, providing examples of individual use cases. The paper documents NREL's history of operating one of the world's most energy-efficient data centers while examining pathways to reduce economic and environmental impact beyond reduction of Power Usage Efficiency (PUE). This paper concludes by examining the unique opportunities created for accelerating improvements in data center efficiency created by combining an HPC system dedicated to energy research and a research program in energy-efficient computing.

97 MATHEMATICS AND COMPUTING↗

The Sensor Dilemma in Intelligent Transportation Systems: Evaluating Radar, Lidar and Camera: Preprint

Intelligent transportation systems (ITS) are at the forefront in advancing the way we interact with and perceive the transportation network. This revolution is fueled by the significant advancement in sensor perception technologies such as radar, lidar, and video imaging, which are the most popular modalities for ITS. Real-time perception data from these sensors allow intelligent infrastructure-side decision-making to improve the energy, efficiency, and safety at traffic intersections. As traffic departments across the United States transition from traditional loop detectors and emulators and embrace newer technologies, they are often left with a dilemma in choosing a sensor technology for infrastructure-based perception that is reliable, inexpensive, and easy to set up and that has robust performance in varying weather conditions. However, choosing a sensor that checks all these boxes is not straightforward, as every sensor type has unique benefits and drawbacks. Radar is excellent at detecting long-range vehicles and weather resistance but lacks high resolution. Lidar is expensive and weather-sensitive, while cameras provide rich visual data at a low cost but are constrained by lighting and visibility. This study examines radar, lidar, and camera sensor capabilities to ascertain whether any of these qualifies as the "best" sensor for ITS perception. While no single sensor can meet all the demands of ITS, a hybrid approach combining multiple sensor modalities like radar, lidar, and cameras offers the most robust solution for enhancing the safety and efficiency of ITS. Through this evaluation, we hope to draw attention to the necessity of the National Renewable Energy Laboratory's infrastructure perception and control framework, which presents a multisensor track data fusion engine to assimilate multiple data streams in order to provide robust and reliable perception.

33 ADVANCED PROPULSION SYSTEMS↗

Thermal Damage Potential of Electric Vehicles

The main objective is to assess the risk that electric vehicle (EV) battery fires pose regarding thermal damage to other vehicles involved in a crash and to compare EV and internal combustion engine vehicle (ICEV) fires. A literature review of experimental data and statistics are used to perform the assessment. The findings indicate: (1) the heat flux emitted from an EV and ICEV fire are similar due to cabin materials being the main contributor to heat flux, (2) for ICEVs involved in a crash with fuel tank leakage, the thermal damage is significantly more than from an EV fire for equivalent fire durations, (3) the thermal damage potential from ICEV pool fires is at least 5 times higher than EV fires, and (4) EV and ICEV crashes resulting in a fire is about 0.002% and 0.2%, respectively. Thus, EV battery fires have a lower risk than ICEV fires.

33 ADVANCED PROPULSION SYSTEMS↗

Manual Crew Override of Vehicle Landings Following G-Transitions

BACKGROUND Manual control during exploration spaceflight consists of both planned automated supervisory control and unplanned crew override. This crew override capability is critical to enable overall mission success during landing contingencies. However, the introduction of manual override capabilities must be implemented to enable crews to mitigate risks introduced by human error. Adaptive changes in the sensorimotor system can manifest during g-transitions as spatial disorientation. While training and landing aids enable successful landing through disorientation, these adaptive changes may increase cognitive demand that needs to be accounted for in the manual control strategy. It is important to characterize these effects as soon as possible following the G-transition to develop appropriate countermeasures. METHODS In this study, we will examine operational piloting tasks following International Space Station (ISS) missions in a simulated lunar landing using a six-degree-of-freedom (6DOF) motion base. The motion-based simulation will be implemented in our laboratory at the Johnson Space Center (JSC) and will be available within hours following the return from commercial crew landings. The primary goals of this study are (1) to understand the impact of spaceflight on crew ability to perform manual crew override tasks, (2) to examine how adaptive changes in vestibular and cognitive function relate to changes in manual crew override proficiency, and (3) compare performance during late “just-in-time” on-board training with early post-flight crew performance. The impact of spaceflight on piloting capability will be assessed from pre- versus post-flight changes in crewmembers assigned to either short duration (< 30 day) or long duration (~6- month) missions to the International Space Station (ISS). Individual differences in post-flight vestibular and cognitive changes include motion sickness reports, measures of tilt motion perception accuracy and precision, and dual-task tracking. During the 6DOF lunar simulation, the crew will manually takeover attitude and rate-of-descent to the nominal or re-designated landing aim point during the approach phase. The outcome measures for the lunar crew override tasks will be the percent time maintaining actual vehicle states, e.g., attitude and rate-of-descent, within recommended guidance during the landing approach, number and maximum deviation outside limits, and root mean square error (RMSE). Given that “just-in-time” (JIT) training is an operational expectation for the Human Landing System (HLS) program, all participants will perform late inflight JIT training for each manual crew override task in which they will participate. Crew proficiency will be captured inflight during JIT training that will be implemented on a laptop with hand controllers to allow the crewmember to practice the landing task procedures like the approach implemented for JIT training with Shuttle landing and ISS telerobotic tasks. COUNTERMEASURE UPDATES The lunar lander simulation has been implemented onto a two-laptop display system where subjects select from alternative landing points, based upon avoiding hazards that the on-board system identifies during the landing. The subject makes inputs using a rotational hand controller (i.e., joystick) and a translational hand controller, which are processed by simulated vehicle dynamics to update the vehicle attitude and rate of descent. Subjects will utilize a combination of flight, situation, and status displays to monitor the state of the simulated vehicle. The simulation exports tilt and translation movements to a 6DOF motion base synced to visual movements and provides representative vestibular cues to the subject while performing the task inside an enclosed cabin featuring a simulated lunar out-the-window view and a heads-down lander cockpit view. RELEVANCE This project will deliver an operational demonstration of crew override capability following spaceflight and identify potential deficits that may require remediation. Comparison of individual vestibular and cognitive changes with crew override performance will help better characterize the manual control risks associated with sensorimotor alterations. The inclusion of “just-in-time” on-board training will ensure we are characterizing changes in override proficiency with this expected countermeasure in place. ACKNOWLEDGEMENTS: The authors acknowledge contributions from Draper, HLS Joint Test Panel, Crew HLS Interfaces for Piloting Working Group, and Dynamic Skills Trainer (DST) Lab toward the development of the lunar landing simulation. This project is funded by the Human Health Countermeasures Element.

Austin M Bollinger↗

Introduction to the Bioproduct Transition Dynamics Model

The U.S. Department of Energy, Bioenergy Technologies Office has a broad understanding of different conversion processes that produce bioproducts (chemicals derived from biomass feedstocks) and the market attributes of those processes. However, bioproducts have in many cases proven to be difficult to scale up to commercial production and bring to market, and there is currently a need for greater understanding around the possible successful scenarios for advancing the bioproducts industry. Insight into the myriad factors that impact the success of individual bioproducts and the growth of the bioproducts industry will enable bioproduct stakeholders to evaluate strategies for development and investment that could achieve the greatest impact. An understanding of these factors will also enable the identification of synergies between the bioproducts and biofuels industries that occur through shared learning and co-production. The Bioproduct Transition Dynamics (BTD) model explores questions such as the following: what are the factors that separate a successful, commercially produced bioproduct like succinic acid from one that never progresses beyond bench-scale lab research? Can these factors be influenced by stakeholders, and to what extent? The BTD model uses system dynamics to capture the impacts of investor decision-making, bioproduct techno-economics, and market factors during the early stages of bioproduct development. Key components of the BTD model include techno-economic benchmarks that inform the investor decision-making process, failures and setbacks in development and the resulting need for additional work, and the impacts of effective or ineffective management during each development stage. These factors and their interactions are tracked through bench-scale laboratory research, piloting, demoing, and the construction and operation of the first commercial-scale plant. Bioproduct development is linked to the biofuels industry through a shared-learning model, enabling the benefit to biofuels from bioproduct technology and feedstock supply chain development to be quantified. A wide variety of bioproducts can be analyzed using the BTD model, including bioproducts that have been developed through economic or policy-driven mechanisms, and those with either niche (low volume) or scalable (high volume) markets. The BTD model also has the potential to apply to technology development processes outside the bioproducts industry; background research performed for this project has shown that the early stages of technology development are similar, and impacted by similar factors, regardless of the exact industry. This presentation will cover the BTD model logic, input data, validation process, and results of a sensitivity analysis based on techno-economic data for succinic acid. The sensitivity analysis was performed to identify factors with the largest impact on the eventual success or failure of a bioproduct. Results indicate that management effectiveness, which affects how efficiently money spent is converted into technological advancements, is the single most important factor in determining whether a bioproduct reaches commercial-scale production. The capacity of the first commercial plant and the type of biomass feedstock used, as well as the presence of government support in the form of cost-sharing, were also identified as significant factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Optimization of an Impedance-Matched Test Fixture with the Modal Projection Error

Across many industries and engineering disciplines, components and systems are designed and deployed into their operational environment of intended use. It is the desire of the design agency to be able to predict whether their component or system will function in its shock and vibration environments or if it will fail due to mechanical stresses. One method to determine if the component will survive the shock and vibration environments is to expose the component to the operational environment in a laboratory. One difficulty in executing a representative laboratory test is that the component may not have the same boundary condition in the laboratory as in the operational configuration. This paper examines the use of parameterized optimization to design the test fixture in order to better match the operational configuration. Several frequency and modal-based objective functions are examined for the optimization. The study shows that the Modal Projection Error objective function performs the best of the functions studied. The efficacy of the Modal Projection Error is demonstrated with respect to dynamic test fixture design on several analytical and experimental exemplars.

dynamic↗

Motorized Beam Alignment of a Commercial X-ray Diffractometer

X-ray diffraction (XRD) is a powerful analysis method that allows researchers to noninvasively probe the crystalline structure of a material. This includes the ability to determine the crystalline phases present, quantify surface residual stresses, and measure the distribution of crystallographic orientations. The Structures and Materials Division at the NASA Glenn Research Center (GRC) heavily uses the on-site XRD lab to characterize advanced metal alloys, ceramics, and polymers. One of the x-ray diffractometers in the XRD lab (Bruker D8 Discover) uses three different x-ray tubes (Cu, Cr, and Mn) for optimal performance over numerous material types and various experimental techniques. This requires that the tubes be switched out and aligned between experiments. This alignment maximizes the x-ray tube s output through an iterative process involving four set screws. However, the output of the x-ray tube cannot be monitored during the adjustment process due to standard radiation safety engineering controls that prevent exposure to the x-ray beam when the diffractometer doors are open. Therefore, the adjustment process is a very tedious series of blind adjustments, each followed by measurement of the output beam using a PIN diode after the enclosure doors are shut. This process can take up to 4 hr to perform. This technical memorandum documents an in-house project to motorize this alignment process. Unlike a human, motors are not harmed by x-ray radiation of the energy range used in this instrument. Therefore, using motors to adjust the set screws will allow the researcher to monitor the x-ray tube s output while making interactive adjustments from outside the diffractometer. The motorized alignment system consists of four motors, a motor controller, and a hand-held user interface module. Our goal was to reduce the alignment time to less than 30 min. The time available was the 10-week span of the Lewis' Educational and Research Collaborative Internship Project (LERCIP) summer internship program and the budget goal was $1200. In this report, we will describe our motorization design and discuss the results of its implementation.

Van Zandt, Noah R.↗

A System Dynamics Model of Early-Stage Transition Dynamics in the Bioproducts Industry

The U.S. Department of Energy, Bioenergy Technologies Office has a broad understanding of different conversion processes that produce bioproducts (chemicals derived from biomass feedstocks) and the techno-economic attributes of those processes. However, bioproducts have in many cases proven to be difficult to scale up to commercial production, and there is currently a need for greater understanding around the possible successful scenarios for advancing the bioproducts industry. Insight into the myriad factors that impact the success of individual bioproducts and the growth of the bioproducts industry will enable bioproduct stakeholders to evaluate strategies for development and investment that could achieve the greatest impact. An understanding of these factors will also enable the identification of synergies between the bioproducts and biofuels industries that occur through shared learning and co-production. The Bioproduct Transition Dynamics (BTD) model explores questions such as the following: what are the factors that separate a successful, commercially produced bioproduct like succinic acid from one that never progresses beyond bench-scale lab research? Can these factors be influenced by stakeholders, and to what extent? The BTD model uses system dynamics to capture the impacts of investor decision-making, bioproduct techno-economics, and end use factors during the early stages of bioproduct development. Key components of the BTD model include techno-economic benchmarks that inform the investor decision-making process, failures and setbacks in development and the resulting need for additional work, and the impacts of effective or ineffective management during each development stage. These factors and their interactions are tracked through bench-scale laboratory research, piloting, demoing, and the construction and operation of the first commercial-scale plant. Bioproduct development is linked to the biofuels industry through a shared-learning model, enabling the benefit to biofuels from bioproduct technology and feedstock supply chain development to be quantified. A wide variety of bioproducts can be analyzed using the BTD model, including bioproducts that have been developed through economic or policy-driven mechanisms, and those with either niche (low volume) or scalable (high volume) demand. The BTD model also has the potential to apply to technology development processes outside the bioproducts industry; background research performed for this project has shown that the early stages of technology development are similar, and impacted by similar factors, regardless of the exact industry. This presentation will cover the BTD model logic, input data, validation process, and results of a sensitivity analysis based on techno-economic data for succinic acid. The sensitivity analysis was performed to identify factors with the largest impact on the eventual success or failure of a bioproduct. Results indicate that management effectiveness, which affects how efficiently money spent is converted into technological advancements, is the single most important factor in determining whether a bioproduct reaches commercial-scale production. The capacity of the first commercial plant and the type of biomass feedstock used, as well as the presence of government support in the form of cost-sharing, were also identified as significant factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Intrinsic Bulk Quantum Oscillations in a Bulk Unconventional Insulator SmB 6

The finding of bulk quantum oscillations in the Kondo insulator SmB 6 proved a considerable surprise. Subsequent measurements of bulk quantum oscillations in other correlated insulators including YbB 12 lent support to our discovery of a class of bulk unconventional insulators that host bulk quantum oscillations. Here we perform a series of experiments to examine evidence for the intrinsic character of bulk quantum oscillations in floating zone-grown single crystals of SmB 6 that have been the subject of our quantum oscillation studies. We present results of thermodynamic, transport, and composition analysis experiments on pristine floating zone-grown single crystals of SmB 6 and compare quantum oscillations with metallic LaB 6 and elemental aluminum. These results establish the intrinsic origin of quantum oscillations from the insulating bulk of floating zone-grown SmB 6 . The similarity of the Fermi surface in insulating SmB 6 with the conduction-electron Fermi surface in metallic hexaborides is at the heart of a theoretical mystery.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗