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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Application of a temporal multiscale method for efficient simulation of degradation in PEM Water Electrolysis under dynamic operating conditions

Hydrogen is emerging as a vital energy carrier, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) enables hydrogen production under fluctuating renewable power conditions but requires improved understanding and stability of the anode catalyst layer under dynamic operating conditions, especially with low noble metal loadings. Long-term degradation experiments are both time-consuming and costly; therefore, a systematic, model-aided approach is essential. In the present work, a temporal multiscale method is applied to reduce the computational effort of simulating long-term degradation processes in PEMWE, with an exemplary focus on catalyst dissolution. A mechanistic model incorporating the oxygen evolution reaction, catalyst dissolution, and hydrogen permeation from the cathode to the anode was hypothesized and implemented. In this way, the local periodicity of transport and reaction processes in dynamic PEMWE operation, which influence the gradual degradation of the catalyst layer, is captured. The temporal multiscale method significantly reduces the computational effort of simulation, decreasing processing time from hours to mere minutes. This efficiency gain is attributed to the limited evolution of Slow-Scale variables during each period of time P of the Fast-Scale variables. Consequently, simulation is required only until local periodicity is achieved within each Slow-Scale time step. Hence, the fully resolved dynamic problem is decoupled into these two scales, employing a heterogeneous multiscale technique. The developed approach effectively accelerates parameter estimation and predictive simulations, supporting systematic modeling of PEMWE degradation under dynamic conditions.

08 HYDROGEN↗
DOE OSTI2017

Precancer Atlas to Drive Precision Prevention Trials

Cancer development is a complex process driven by inherited and acquired molecular and cellular alterations. Prevention is the holy grail of cancer elimination, but making this a reality will take a fundamental rethinking and deep understanding of premalignant biology. Here, we propose a national concerted effort to create a Precancer Atlas (PCA), integrating multi-omics and immunity – basic tenets of the neoplastic process. The biology of neoplasia caused by germline mutations has led to paradigm-changing precision prevention efforts, including: tumor testing for mismatch repair (MMR) deficiency in Lynch syndrome establishing a new paradigm, combinatorial chemoprevention efficacy in familial adenomatous polyposis (FAP), signal of benefit from imaging-based early detection research in high-germline risk for pancreatic neoplasia, elucidating early ontogeny in BRCA1-mutation carriers leading to an international breast cancer prevention trial, and insights into the intricate germline-somatic-immunity interaction landscape. Emerging genetic and pharmacologic (metformin) disruption of mitochondrial (mt) respiration increased autophagy to prevent cancer in a Li-Fraumeni mouse model (biology reproduced in clinical pilot) and revealed profound influences of subtle changes in mt DNA background variation on obesity, aging, and cancer risk. The elaborate communication between the immune system and neoplasia includes an increasingly complex cellular microenvironment and dynamic interactions between host genetics, environmental factors, and microbes in shaping the immune response. Cancer vaccines are in early murine and clinical precancer studies, building on the recent successes of immunotherapy and HPV vaccine immune prevention. Molecular monitoring in Barrett's esophagus to avoid overdiagnosis/treatment highlights an important PCA theme. Next generation sequencing (NGS) discovered age-related clonal hematopoiesis of indeterminate potential (CHIP). Ultra-deep NGS reports over the past year have redefined the premalignant landscape remarkably identifying tiny clones in the blood of up to 95% of women in their 50s, suggesting that potentially premalignant clones are ubiquitous. Similar data from eyelid skin and peritoneal and uterine lavage fluid provide unprecedented opportunities to dissect the earliest phases of stem/progenitor clonal (and microenvironment) evolution/diversity with new single-cell and liquid biopsy technologies. Cancer mutational signatures reflect exogenous or endogenous processes imprinted over time in precursors. In conclusion, accelerating the prevention of cancer will require a large-scale, longitudinal effort, leveraging diverse disciplines (from genetics, biochemistry, and immunology to mathematics, computational biology, and engineering), initiatives, technologies, and models in developing an integrated multi-omics and immunity PCA – an immense national resource to interrogate, target, and intercept events that drive oncogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Evidence for I 2 loss from the perovskite–gas interface upon light-induced halide segregation

Sunlight-induced halide segregation in (CH 3 NH 3 )Pb(Br x I 1−x ) 3 (1 > x > 0.2), which limits obtainable voltages from solar cells with these perovskite absorbers, reverses upon resting in the dark. However, sustained illumination at ca. 1 sun opens a new decomposition pathway, leading to irreversible I 2 loss in an open system. We conclusively show I 2 off-gassing from halide-segregated (CH 3 NH 3 )Pb(Br 0.75 I 0.25 ) 3 by trapping gaseous I 2 and tracking the electronic conductivity of the perovskite, which increases from electron-doping as iodides are oxidized to iodine. Importantly, we show that this reaction occurs across the perovskite-air solid–gas interface, without confounding effects from solvent or reactive solid interfaces. This characterization was conducted under a nitrogen atmosphere, avoiding vacuum- and oxygen-driven I 2 loss pathways. Consistent observations of I 2 loss upon light-soaking CsPb(Br 0.75 I 0.25 ) 3 films show that this reaction is intrinsic to the inorganic framework. We propose that the disruption of iodide-rich domains in the halide-segregated films through I 2 loss can masquerade as a light-induced healing or apparent remixing of the segregated film, when in fact it leads to irreversible decomposition. Although I 2 off-gassing is less likely in bromide-rich solid solutions, light-induced halide segregation brings the iodides into proximity and forms electronic states that are energetically poised to trap and accumulate holes, providing a driving force for I 2 loss. Thus, even bromide-rich mixed-halide perovskite absorbers will benefit from I 2 -impermeable encapsulation for long-term stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Service Life Extension of the Propulsion System of Long-Term Manned Orbital Stations

One of the critical non-replaceable systems of a long-term manned orbital station is the propulsion system. Since the propulsion system operates beginning with the launch of station elements into orbit, its service life determines the service life of the station overall. Weighing almost a million pounds, the International Space Station (ISS) is about four times as large as the Russian space station Mir and about five times as large as the U.S. Skylab. Constructed over a span of more than a decade with the help of over 100 space flights, elements and modules of the ISS provide more research space than any spacecraft ever built. Originally envisaged for a service life of fifteen years, this Earth orbiting laboratory has been in orbit since 1998. Some elements that have been launched later in the assembly sequence were not yet built when the first elements were placed in orbit. Hence, some of the early modules that were launched at the inception of the program were already nearing the end of their design life when the ISS was finally ready and operational. To maximize the return on global investments on ISS, it is essential for the valuable research on ISS to continue as long as the station can be sustained safely in orbit. This paper describes the work performed to extend the service life of the ISS propulsion system. A system comprises of many components with varying failure rates. Reliability of a system is the probability that it will perform its intended function under encountered operating conditions, for a specified period of time. As we are interested in finding out how reliable a system would be in the future, reliability expressed as a function of time provides valuable insight. In a hypothetical bathtub shaped failure rate curve, the failure rate, defined as the number of failures per unit time that a currently healthy component will suffer in a given future time interval, decreases during infant-mortality period, stays nearly constant during the service life and increases at the end when the design service life ends and wear-out phase begins. However, the component failure rates do not remain constant over the entire cycle life. The failure rate depends on various factors such as design complexity, current age of the component, operating conditions, severity of environmental stress factors, etc. Development, qualification and acceptance test processes provide rigorous screening of components to weed out imperfections that might otherwise cause infant mortality failures. If sufficient samples are tested to failure, the failure time versus failure quantity can be analyzed statistically to develop a failure probability distribution function (PDF), a statistical model of the probability of failure versus time. Driven by cost and schedule constraints however, spacecraft components are generally not tested in large numbers. Uncertainties in failure rate and remaining life estimates increase when fewer units are tested. To account for this, spacecraft operators prefer to limit useful operations to a period shorter than the maximum demonstrated service life of the weakest component. Running each component to its failure to determine the maximum possible service life of a system can become overly expensive and impractical. Spacecraft operators therefore, specify the required service life and an acceptable factor of safety (FOS). The designers use these requirements to limit the life test duration. Midway through the design life, when benefits justify additional investments, supplementary life test may be performed to demonstrate the capability to safely extend the service life of the system. An innovative approach is required to evaluate the entire system, without having to go through an elaborate test program of propulsion system elements. Evaluating every component through a brute force test program would be a cost prohibitive and time consuming endeavor. ISS propulsion system components were designed and built decades ago. There are no representative ground test articles for some of the components. A 'test everything' approach would require manufacturing new test articles. The paper outlines some of the techniques used for selective testing, by way of cherry picking candidate components based on failure mode effects analysis, system level impacts, hazard analysis, etc. The type of testing required for extending the service life depends on the design and criticality of the component, failure modes and failure mechanisms, life cycle margin provided by the original certification, operational and environmental stresses encountered, etc. When specific failure mechanism being considered and the underlying relationship of that mode to the stresses provided in the test can be correlated by supporting analysis, time and effort required for conducting life extension testing can be significantly reduced. Exposure to corrosive propellants over long periods of time, for instance, lead to specific failure mechanisms in several components used in the propulsion system. Using Arrhenius model, which is tied to chemically dependent failure mechanisms such as corrosion or chemical reactions, it is possible to subject carefully selected test articles to accelerated life test. Arrhenius model reflects the proportional relationship between time to failure of a component and the exponential of the inverse of absolute temperature acting on the component. The acceleration factor is used to perform tests at higher stresses that allow direct correlation between the times to failure at a high test temperature to the temperatures to be expected in actual use. As long as the temperatures are such that new failure mechanisms are not introduced, this becomes a very useful method for testing to failure a relatively small sample of items for a much shorter amount of time. In this article, based on the example of the propulsion system of the first ISS module Zarya, theoretical approaches and practical activities of extending the service life of the propulsion system are reviewed with the goal of determining the maximum duration of its safe operation.

Kamath, Ulhas↗
DOE OSTI2017

Opportunities for Simultaneous Efficiency Improvement and Refrigerant Transition in Air Conditioning

In October of 2016, nearly 200 Parties agreed to amend the Montreal Protocol in Kigali, Rwanda, to phase-down consumption and production of hydrofluorocarbons (HFCs) by 2050. Growth in the use of HFCs, including those currently used as refrigerants in air-conditioning systems, is being driven by demand from emerging economies, hot climates, and rising incomes that are also undergoing rapid urbanization and electrification. Air conditioners (ACs), as an energy-intensive end-use technology, are also covered by a growing number of energy efficiency standards, labeling, procurement, incentive, and other supporting efficiency programs. Therefore, improving room AC energy efficiency and transitioning to low-global warming potential (GWP) refrigerants simultaneously presents significant opportunities to deploy energy efficient technology and reduce the energy and emissions impacts of room ACs, while keeping costs low for consumers. This report aims to provide an initial sense of the opportunities to improve efficiency and transition to low-GWP refrigerants by reviewing the HCFC and HFC regulatory framework and energy efficiency standards and labeling programs in 19 economies that account for roughly 65 percent of global room AC demand. Based on this analysis, we identified key opportunities for coordinated action on efficiency improvement and refrigerant transition for the domestic room AC sector (i.e., ductless mini-split ACs), such as: - implementing or revising standards and labeling programs to improve efficiency levels with the possibility of adding a low-GWP criterion. - combining fixed speed and inverter AC product categories to account for seasonal variations in climate and part-load operating conditions, and using seasonal energy efficiency ratio (SEER) instead of energy efficiency ratio (EER) to better reflect performance of inverter ACs. - implementing market transformation programs, such as bulk procurement programs, to drive down the costs of efficient technology through economies of scale. - aligning timelines for implementing efficiency standards with timelines for refrigerant management plans to coordinate policy actions. - maximizing the energy efficiency improvements of Montreal Protocol investments by coordinating efforts to help keep costs low for consumers and manufacturers during equipment redesign and manufacturing line retooling for refrigerant transition. In order to realize the significant peak load, energy saving and climate benefits of these opportunities associated with improving energy efficiency in tandem with the refrigerant transition, some risks may need to be mitigated, principally safety concerns over risks of accidental ignition with refrigerants rated flammable. This can be mitigated by continuing and accelerating the development of safety standards currently being updated, for example, by the International Electrotechnical Commission (IEC) and improving training for production, installation and maintenance during the use of flammable refrigerants. While some low-GWP refrigerants may cost more than the current baseline refrigerants, the cost of refrigerants is only ~1% of lifecycle costs for an AC. Costs can also be reduced through manufacturing advances and efficiency improvements, particularly if they are supported by policies that encourage technological development through deployment of superefficient ACs at scale. Finally, during the transition, there is a risk of obsolete technology being deployed in markets that either have not updated their standards or have later compliance dates. This risk can be mitigated by updating standards and reviewing them periodically to ensure their effectiveness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

Impedance Measurement of an Antenna with Hydrogen Plasma Driven by 13.56 MHz-rf for J-PARC H{sup -} ion source

In order to satisfy the Japan Proton Accelerator Research Complex (J-PARC) second stage requirements of an H{sup -} ion beam current of 50 mA and a life-time of 2000 hours, the development of a 13.56 MHz-rf-driven H{sup -} ion source was started by using an antenna developed at the Spallation Neutron Source (SNS). As the first step, the impedance of an antenna with hydrogen plasma, which is one of the most important parameters, was measured. For an rf-power of 0 kW, 1.25 kW or 7.45 kW, it was measured as j84.19+5.107 {Omega}, j80.22+11.82 {Omega} or j58.24+21.16 {Omega}, respectively. Its real-part had a rather large value and rather large rf-power dependence unexpectedly. By using the measured impedance, the circuit to produce rf-plasma in the plasma chamber on a -50 kV potential with a 13.56 MHz-rf-source on the ground potential was designed by the circuit simulation code LTSpice IV.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Accelerating Nuclear Facility Mission Completion Through an Improved Chemical Hazard Control Strategy - 20460

Code of Federal Regulation (CFR) 10 CFR 830, Nuclear Safety Management [1], explicitly identifies hazardous materials in addition to radioactive materials when establishing the scope of materials that must be evaluated in Hazard Category (HC) 1, 2, and 3 nuclear facilities. This inclusion has led to a near decade-long progression of more and more rigorous application of chemical hazard controls in these facilities. The progressive addition of more rigorous chemical hazard controls has occurred across the Department of Energy (DOE) Complex, having been driven by contractors and regulators alike. However, chemical hazards in other DOE facilities have been, and continue to be, controlled using traditional industrial safety centered strategies. Thus, identical chemical hazards are controlled using dramatically different approaches based solely on the facility type. Not only are the controls different, the analysis and derivation rigor and requirements are also significantly different. In particular, chemical control derivation and application in non-nuclear facilities are much less onerous than the comprehensive hazard analysis process used in nuclear facilities, even in circumstances in which chemicals are not initiators to, or do not exacerbate a nuclear event. While the derivation and control approaches used in these two types of facilities are disparate, the safety results are similarly effective based on a review of reported chemical events from 2014 through 2018. While both approaches achieve comparable safety outcomes, the approach used in nuclear facilities results in significantly greater preparation costs and implementation costs. Furthermore, the problem with the differing approach is not relegated to the control preparation and implementation burden. The operational impact of potentially unnecessary controls slows mission completion without a corresponding increase in safety, not to mention the dilution of the importance of Technical Safety Requirements. The proposed solution must first include a critical and thorough examination of DOE Complex and top-tier chemical industry chemical hazard control practices, coupled with a similar examination of the driving facility regulatory requirements. Results from the examination can then be used to fuel a bold departure from current chemical control practices in Hazard Category 1, 2, and 3 nuclear facilities. Development of an improved and consistent chemical hazard control process would follow, one that continues to ensure safety while accelerating mission completion and significantly reducing the burden associated with chemical hazard control development and implementation. The improved process must establish a hierarchy where radiological hazards are addressed using safety class and safety significant controls and chemical hazards are addressed using overarching safety management programs (with limited unique exceptions). The improved Hazard Category 1,2, and 3 nuclear facility chemical hazard control strategy, while compliant with 10 CFR 830 [1], would be founded on the requirements in 10 CFR 851, Worker Safety and Health Program [2], and the complementary DOE O 151.1D, Comprehensive Emergency Management System [3]. In this way, the Hazard Category 1, 2, and 3 nuclear facility chemical hazard control strategy would, wherever appropriate, be the same process used at other DOE Complex facilities. Ultimately, the improved process will maintain safety and significantly reduce costs and life cycle risk through faster mission completion. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

High Penetration of Photovoltaic Generation Study – Flagstaff Community Power (Final Technical Report, Results of Phases 2-5)

APS’s renewable energy portfolio, driven in part by Arizona’s Renewable Energy Standard (RES) currently includes more than 1100 MW of installed capacity, equating to roughly 3000 GWh of annual production. Overall renewable production is expected to grow to 6000 GWh by 2025. It is expected that distributed photovoltaics, driven primarily by lower cost, will contribute to much of this growth and that by 2025, distributed installations will account for half of all renewable production (3000GHW). As solar penetration increases, additional analysis may be required for routine utility processes to ensure continued safe and reliable operation of the electric distribution network. Such processes include residential or commercial interconnection requests and load shifting during normal feeder operations. Circuits with existing high solar penetration will also have to be studied and results will need to be evaluated for adherence to utility practices or strategy. Increased distributed PV penetration may offer benefits such as load offsetting, but it also has the potential to adversely impact distribution system operation. These effects may be exacerbated by the rapid variability of PV production. Detailed effects of these phenomena in distributed PV applications continue to be studied. Comprehensive, high-resolution electrical models of the distribution system were developed to analyze the impacts of PV on distribution circuit protection systems (including coordination and anti-islanding), predict voltage regulation and phase balance issues, and develop volt/VAr control schemes. Modeling methods were refined by validating against field measurements. To augment the field measurements, methods were developed to synthesize high resolution load and PV generation data to facilitate quasi-static time series simulations. The models were then extended to explore boundary conditions for PV hosting capability of the feeder and to simulate common utility practices such as feeder reconfiguration. The modeling and analysis methodology was implemented using open source tools and a process was developed to aid utility engineers in future interconnection requests. Methods to increase PV hosting capacity were also explored during the course of the study. A 700kVA grid-supportive inverter was deployed on the feeder and each grid support mode was demonstrated. Energy storage was explored through simulation and models were developed to calculate the optimum size and placement needed to increase PV hosting capacity. A tool was developed to aid planners in assigning relative costs and benefits to various strategies for increasing PV hosting capacity beyond current levels. Following the completion of the project, APS intends to use the tools and methods to improve the framework of future PV integration on its system. The tools and methods are also expected to aid other utilities to accelerate distributed PV deployment.

14 SOLAR ENERGY↗
DOE OSTI2015

Rod-filter-field optimization of the J-PARC RF-driven H{sup −} ion source

In order to satisfy the Japan Proton Accelerator Research Complex (J-PARC) second-stage requirements of an H{sup −} ion beam of 60mA within normalized emittances of 1.5πmm•mrad both horizontally and vertically, a flat top beam duty factor of 1.25% (500μs×25Hz) and a life-time of longer than 1month, the J-PARC cesiated RF-driven H{sup −} ion source was developed by using an internal-antenna developed at the Spallation Neutron Source (SNS). Although rod-filter-field (RFF) is indispensable and one of the most beam performance dominative parameters for the RF-driven H{sup −} ion source with the internal-antenna, the procedure to optimize it is not established. In order to optimize the RFF and establish the procedure, the beam performances of the J-PARC source with various types of rod-filter-magnets (RFMs) were measured. By changing RFM’s gap length and gap number inside of the region projecting the antenna inner-diameter along the beam axis, the dependence of the H{sup −} ion beam intensity on the net 2MHz-RF power was optimized. Furthermore, the fine-tuning of RFM’s cross-section (magnetmotive force) was indispensable for easy operation with the temperature (T{sub PE}) of the plasma electrode (PE) lower than 70°C, which minimizes the transverse emittances. The 5% reduction of RFM’s cross-section decreased the time-constant to recover the cesium effects after an slightly excessive cesiation on the PE from several 10 minutes to several minutes for T{sub PE} around 60°C.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Regional surrogates for predictive control of digital twins

Digital twins of complex systems must involve a model that is fast, generalizable, and usable for real-time control. For example, high-fidelity nonlinear multiphysics simulations can capture laser-material interactions, but are too slow for optimization or model predictive control (MPC). Reduced-order models, used to accelerate such computation, frequently fail to generalize to unseen inputs or control states. We show theoretically that this failure is intrinsic, i.e., that a learned model is non-unique outside the sampled subspace when its low-rank structure arises from limited excitation and clustered eigenvalues, rather than from a user-imposed truncation alone. Motivated by this result, we propose a control-ready regional surrogate-construction framework for both autonomous and nonautonomous dynamics; it employs Koopman lifting to represent nonlinearities, while preserving spatial locality. We illustrate our approach by constructing a control-ready surrogate for the digital twin of a thermal component of additive-manufacturing process. Our surrogate, localized in space through a von Neumann stencil, is learned from noisy high-fidelity simulations that emulate thermal-camera images collected during the manufacturing. It is linear in thermo-physically augmented states so that MPC reduces to a convex quadratic program. The surrogate requires no online correction, generalizes to unseen scan paths and power profiles of the laser, and is more than three orders of magnitude faster than a finite-difference solver. Furthermore, when the MPC sequence computed on the digital twin is applied to this solver, closed-loop temperature regulation is recovered, showing that the surrogate preserves control-relevant input-output behavior.

Data-driven model↗
DOE OSTI2023

Fuel Injection Dynamics and Composition Effects on RDE Performance

Rotating detonation engines (RDEs) provide a promising route to substantially increasing cycle efficiency in stationary gas turbines. Much of this increase relies on the ability to achieve consistent pressure gain within the combustor. In particular, the design of injectors that feed fuel and air into the detonation channel plays a crucial role. Such injectors have to ensure proper mixing of fuel and oxidizer, while minimizing backflow of detonation products into the feed plenums, and reduce susceptibility to the complex wave structures that exist within the combustor. From a practical perspective, such RDEs also need to operate with variable fuel composition. When fuel mixtures with components that possess vastly different oxidation pathways and time-scales are used, there could be additional losses through deflagrative burning instead of detonation-driven heat release. Such sensitivity to the complete flow path is akin to the physics of thermoacoustic instabilities in conventional gas turbines. In this sense, RDEs pose a unique research challenge: the performance of the device relies on the small-scale heat release process, which is highly dependent on the flow interactions within the full-scale system. As a result, canonical flow configurations, instrumented with detailed diagnostics or modeled using high-fidelity tools, but only focus on the small-scale processes will not contain the key system-level interactions. At the same time, macroscopic measurements and models that only capture system-level performance will not provide insight into the key sources of pressure losses. These couplings and sensitivities provide a formidable challenge to both experimental and simulation studies of the effects Thus, a joint experimental/computational program designed specifically to address these challenges was undertaken in this program. The focus of this program was on two key topics: a) the interaction between injector flow and the overall wave dynamics within the combustor, and b) the deflagration/detonation structure in multi-component fuels that are of practical interest. Both topics involve interaction of small-scale heat release processes with the geometry-dependent wave structure. Studies focused on the study of full-scale RDE systems, based on a 6-inch conventional annular geometry. Experimentally RDEs were studied using a combination of diagnostics. A combination of optical diagnostics and aero-thermo-acoustic analysis based on a combination of spectral and mode decomposition analysis was used to identify the dynamics of the detonation wave and other secondary waves that exist in the system. These studies have helped the identification and investigation of injector and detonation dynamics arising from coupling, and how they affect RDE mixing, detonation structure, operability and performance. Performance of RDEs was investigated through thrust stand measurements, which was used to evaluate the effective pressure gain generated by the system through the concept of equivalent available pressure. Optical diagnostics were developed and implemented to investigate the distribution of heat release, across the detonation wave. Novel optical diagnostics of NIR imaging was also developed and applied to investigate the high temperature / high pressure distribution across the detonation wave. In order to complement the experiments, the computational tools were geared to simulate the full experimental setup. GPU-based acceleration of the models and computations were developed to enable rapid simulation of the full system. In addition, the use of adaptive mesh refinement, and unstructured grid formulation, enabled the investigation of realistic geometries studied in the laboratory. The simulations produced a wealth of detail on the structure of the detonation wave under different operating conditions. Emphasis was placed on quantifying mixture pre-burning and the impact on wave propagation and structure.

03 NATURAL GAS↗
DOE OSTI2016

Sensitivity Analysis of Passive Heat Removal Capability of FHR Based on Efficient Surrogate Model and GenFlow

Code Scaling, Applicability and Uncertainty Evaluation Methodology (CSAU) is used for quantifying reactor safety margins and works as an alternative method for licensing nuclear power plant. In the framework of CSAU, sensitivity and uncertainty analysis (SA and UA) should be performed. However, for large-scale complicated thermal hydraulics analysis simulated by code (e.g. RELAP5, CFD and subchannel analysis, the sensitivity and uncertainty analysis is really time-consuming. Furthermore, sometimes it is not feasible to perform SA and UA. Specifically, the computation time for Monte Carlo sampling or advanced LHS sampling can be neglected, but the computation time for thermal hydraulics code makes up main part of time during SA and UA process. In order to accelerate the speed of SA and UA, thermal hydraulics code can be improved based on advanced mathematic algorithm or using parallel method. However, the development for new mathematic method needs long time and strict verification and validation process is needed for a new code, which usually takes a couple of years or even longer time to have an approved code that can be used in nuclear industry. An alternative way to improve the speed of SA and UA is using surrogate model. The surrogate model is derived from the input as well as output data of the original code, assuming the code as a black box. The most common method is using response surface method (RSM) as a surrogate for the code, the input parameters are then sampled from their assumed distribution and the corresponding value of the response surface function is calculated. However, a couple of input parameters need hundreds or even thousands of original code calculations. The large number of runs is an obvious disadvantage of this method. Besides, the second disadvantage is an appropriate response surface function must be selected (e.g. quadratic, cubic, quartic, with or without cross product terms, or using a non-polynomial form) to avoid the overfit and underfit problem. This process is time consuming and expensive. Polynomial chaos expansion method is a reasonably fast and attractive alternative, stochastic model. The chaos expansion provides an efficient high-order method of including non-linear effects in stochastic analysis. Usually, the information about the model parameters and their probability distribution is limited and the dependence between them is not known. However, if arbitrary polynomial chaos is used, instead of assuming probability distribution for input parameters which may introduces additional subjectivity into the analysis, the available information can directly and most purely be used in stochastic analysis based on arbitrary data distribution. Thus, it is not necessary to know the exact probability density functions to perform SA and UA based on arbitrary polynomial chaos (aPC). The aPC has been applied for uncertainty quantification in many fields (e.g. in solid mechanics, fluid flows, thermal sciences), and become widely used in nuclear industry recently. Mk1 PB-FHR is a small modular fluoride-salt-cooled, high-temperature reactors (FHRs) that is a concept design by University of California, Berkeley (UCB). It has inherently safe features like natural-circulation-driven systems (e.g. direct reactor auxiliary cooling system (DRACS)) to passively remove decay heat from the reactor core during design basis and beyond design. It is necessary to perform SA and UA, since the licensing process of this new kind of reactor is under way and there are many design parameters that have not been fixed. Current nuclear commercial codes, such as RELAP5, have mainly been developed for light water reactors, which require the use of comprehensive two-phase flow models. This capability is not required to simulate single-phase flow phenomena in FHRs, whose baseline coolant, flibe, remains liquid up to 1430 deg. C at atmospheric pressure. The FHR advanced natural circulation analysis (FANCY) code has been developed specifically for FHR technology modeling and validation work has been performed by using CIET data in UCB. The code has been renamed General Flow (GenFlow) because it has been further developed to have the capability to model complicated pipework system based on object-oriented concept for user friendly purpose. Besides, it can be used to simulate both the force circulation as well as natural circulation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Capturing Ring Opening in Photoexcited Enolic Acetylacetone upon Hydrogen Bond Dissociation by Ultrafast Electron Diffraction

Photoinduced biological and chemical reactions are often based on key structural transformations of a molecule driven across multiple electronic states. Acetylacetone (AcAc) is a prototypical system for complex chemical pathways involving several conical intersections (CI) and singlet–triplet intersystem crossings (ISC) characterized by distinct geometries. In the gas phase, AcAc is predominantly in a planar ring-like enolic form stabilized by a strong intramolecular O–H···O hydrogen bond. Following excitation into the S 2 (ππ*) state at 266 nm, acetylacetone undergoes rapid internal conversion followed by intersystem crossing. Such relaxation pathways are associated with structural changes including ring opening, deplanarization, and bond elongation. In this work, ultrafast electron diffraction (UED) at the SLAC MeV-UED setup is employed as a direct structural probe with a time resolution of 160 fs. Together with trajectory surface hopping simulations, analysis of the UED data provides a new perspective on the early time nuclear dynamics in acetylacetone. Specifically, AcAc is observed to undergo ring opening, deplanarization, and bond elongation all within the first 700 fs after photoexcitation. The monitored dynamics is associated mainly with the nuclear motion on the S 1 potential energy surface, formed after very rapid transfer from S 2 to S 1 , allowing AcAc to reach the conical intersection to intersystem crossing. Such time scales of nuclear motion are contrasted with the time scales of electronic transitions in AcAc that were previously characterized with spectroscopic methods, specifically internal conversion (<100 fs) and intersystem crossing (∼1.5 ps).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Maintenance and operation procedure, and feedback controls of the J-PARC RF-driven H{sup −} ion source

In order to satisfy the Japan Proton Accelerator Research Complex (J-PARC) second stage requirements of an H{sup −} ion beam of 60mA within normalized emittances of 1.5πmm•mrad both horizontally and vertically, a flat top beam duty factor of 1.25% (500μs×25Hz) and a life-time of longer than 1month, the J-PARC cesiated RF-driven H{sup −} ion source was developed by using an internal-antenna developed at the Spallation Neutron Source (SNS). The maintenance and operation procedure to minimize the plasma chamber (PCH) replacement time on the beam line, which is very important to maximize the J-PARC beam time especially for an antenna failure, is presented in this paper. The PCH preserved by filling argon (Ar) gas inside after pre-conditioning including pre-cesiation to produce the required beam at a test-stand successfully produced the required beam on the beam line with slight addition of cesium (Cs). The methods of the feedback controls of a 2MHz-RF-matching, an H{sup −} ion beam intensity and the addition of Cs are also presented. The RF-matching feedback by using two vacuum variable capacitors (VVCs) and RF-frequency shift produced the almost perfect matching with negligibly small reflected RF-power. The H{sup −} ion beam intensity was controlled within errors of ±0.1mA by the RF-power feedback. The amount of Cs was also controlled by remotely opening a Cs-valve to keep the RF-power lower than a settled value.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1996

Ion Acceleration in Solar Flares

Solar flares are among the most energetic and interesting phenomena in the Solar system, releasing up to 1032 ergs of energy on timescales of several tens of seconds to several tens of minutes. Much of this energy is in the form of suprathermal electrons and ions, which remain trapped at the Sun and produce a wide variety of radiations, as well as escape into interplanetary space, where they can be directly observed. The radiation from trapped particles consists in general of (1) continuum emission; (2) narrow gamma-ray nuclear deexcitation lines; and (3) high-energy neutrons observed in space or by ground-based neutron monitors. The particles that escape into space consist of both electrons and ions, which often have compositions quite different than that of the ambient solar atmosphere. Flares thus present many diagnostics of the particle acceleration mechanism(s), the identification of which is the ultimate goal of flare research. Moreover, flares in fact offer the only opportunity in astrophysics to study the simultaneous energization of both electrons and ions. Hopefully, an understanding of flares with their wealth of diagnostic data will lead to a better understanding of particle acceleration at other sites in the Universe. It is now generally accepted that flares are roughly divided into two classes: impulsive and gradual. Gradual events are large, occur high in the corona, have long-duration soft and hard X-rays and gamma rays, are electron poor, are associated with Type II radio emission and coronal mass ejections (CMEs), and produce energetic ions with coronal abundance ratios. Impulsive events are more compact, occur lower in the corona, produce short-duration radiation, and exhibit dramatic abundance enhancements in the energetic ions. Their He-3/He-4 ratio is - 1, which is a huge increase over the coronal value of about 5 x 10(exp -4), and they also posses smaller but still significant enhancements of Ne, Mg, Si, and Fe relative to He-4, C, N, and O. Specifically, above about 1 MeV nucleon(exp -1), the ratio of Fe to O is about 8 times larger than in the corona or in gradual flares, while the ratio of Ne, Mg, and Si to O is about 3 times higher; He-4, C, N, and 0 are not enchanced with respect to each other. In addition to these elemental enhancements, Ne and Mg have isotopic enhancements as well. The general scenario that has emerged from these (and other) observations is that energetic particles in gradual events are accelerated by a CME-driven shock, while those particles in impulsive events are accelerated by another mechanism(s).

Miller, James A.↗
DOE OSTI2018

Final Report on Community Solar Design Models for Consumer, Industry, & Utility Success

Since the inception of the first community solar program in 2006, a number of different utility, solar industry and consumer driven community solar program models have emerged across the country with varying regulatory and solar market frameworks behind them. There is little consistency in how programs are administered, participant benefits are assigned, and customers are charged for participation. Further, while it is regularly speculated that community solar programs meet the needs of customers, no such consumer research has been completed against different community solar program models. This collaborative research effort addressed three primary issues: Program design models are numerous and evolving, with varying degrees of applicability across different state policy, utility regulatory, and solar market types. The agents, transaction methods, and accruing costs and benefits are highly variable and largely built on anecdotally successful model evolution. ‘Community solar’ (shared/group solar, solar gardens, etc.) has become a catch-all concept that means different things to different stakeholders, limiting constructive program development and growth. Everything from green pricing programs to remote net metering to metering aggregation has been framed as community solar. Consumer research on individual concepts and program models has been done, but no comprehensive and comparative market research on the broader design models and attributes has been performed. SEPA’s collaborative research effort on Community Solar Design Models for Consumer, Industry, & Utility Success is premised on the principle that greater standardization of community solar models and better understanding of consumer interests are key underpinnings of increased community solar deployment. Utilizing a cross-sectional multi-stakeholder working group, as well as focus groups and surveys, webinars, targeted outreach, and other tools, this project aims to expand the community solar knowledge base, facilitate information exchange, identify opportunities for standardization and improvement, determine what consumers’ interests are and how best to message to them, promote the research results within the solar and utility industries, and advance key opportunities for strategic deployment plans for community solar. A summary of these key takeaways/lessons learned during the grant period include: Siting of system should be evaluated up-front in the process Engage stakeholders collaboratively and early to help ensure the best chance for a successful program IT/billing departments must have a seat at the design table Establish upfront target objectives with respect to residential and commercial program access levels helps ensure program success Balance trade-offs to manage utility and developer risk with customer participation carefully to optimize pricing and sizing the program offering Over the course of the 42 month grant period, SEPA and its project team conducted a series of activities all designed to accelerate the number and size of community solar programs across the country. These activities included: Community Solar Program Design Models (2 reports) – SEPA, in collaboration with its projects team, the Coalition for Community Solar Access, and over 60 administrators of actual community solar programs, developed two reports providing hard data on the developments of community solar. These reports touched on program performance, quantity and type of programs, and program design steps, among other aspects. The reports collectively received over 2000 unique downloads. Market Research Report – SEPA, in collaboration with The Shelton Group, conducted a series of national surveys and focus groups to identify what customers were looking for in a community solar offering. The resulting report, “What the Community Solar Customer Wants”, received over 1,000 unique downloads. Technical Assistance Projects – SEPA supported 8 organizations who were pursuing community solar programs. Based on this support, over 5.7 MWs of new solar capacity have been developed. Technical Assistance Case Studies – SEPA developed two case studies detailing the technical assistance work in Fremont, NE Department of Utilities and the public power arm of Minster Ohio. These two reports have received 1,002 unique downloads. Webinar – SEPA hosted two webinars on community solar which collectively received 743 participants. The webinars focused on disseminating the findings of the research conducted under this project, as well as the research conducted in separate solar market pathways projects. Community Solar Design Workshops – 120 registrants learned about the trends in community solar and participated a business case exercise to design their own programs.

14 SOLAR ENERGY↗
NASA NTRS2017

Validation of a Manually Oscillating Chair for In-The-Field Assessment of Dynamic Visual Acuity on Crewmembers Within Hours of Returning From Long-Duration Spaceflight

Long-duration spaceflight results in sensorimotor adaptations, which cause functional deficits during gravitational transitions, such as landing on a planetary surface after long-duration microgravity exposure. Both the vestibular system and the central nervous system are affected by gravitational transitions. These systems are responsible for coordinating head and eye movements via the vestibulo-ocular reflex (VOR) and go through an adaptation period upon exposure to microgravity. Consequently, they must also re-adapt to Earth's gravitational environment upon landing. This re-adaptation causes decrements in gaze control and dynamic visual acuity, with crewmembers reporting oscillopsia and blurred vision caused by retinal slip, or the inability to keep an image focused on their retina. This is thought to drive motion sickness symptoms experienced by most crewmembers following landing. Retinal slip can be estimated by dynamic visual acuity (DVA); visual acuity while in motion. Previously, DVA has been assessed in the laboratory where subjects walked at 6.4 km/hr on a motorized treadmill. Using this method, Peters et al. (2011) found that DVA is worsened in astronauts by an average of 0.75 eye-chart lines one day after landing. However, it is believed that re-adaptation occurs quickly and that DVA might be worse immediately upon re-exposure to a gravitational environment. Since many crewmembers are unable to walk safely upon landing, it was necessary to develop a method for replicating the vertical head movements associated with walking. In addition, the use of a chair to imitate the head displacement caused by walking isolates eye-head interactions without allowing for trunk and lower-body compensation, as seen with treadmill walking (Mulavara & Bloomberg 2003). Therefore, a modality for assessing DVA in the field within a few hours of landing was developed. In this study, we validated the ability of a manually operated oscillating chair to reproduce the oscillatory frequency of walking on a treadmill. Healthy non-astronaut subjects (n=14) participated in one test session and completed three static (seated) and three dynamic (walking/oscillated) visual acuity tests. DVA was assessed using a motorized treadmill, an automated oscillating chair, and a manually operated chair, both developed in the Neuroscience Laboratory at JSC. The automated chair was motor-driven and set to oscillate vertically at 2 Hz with a vertical displacement of +/- 5 cm to simulate vertical translation while walking. The manually operated chair was oscillated vertically by a test operator to the beat of a metronome at 120 beats/min (2 Hz) and a vertical displacement of approximately +/- 5 cm. As the subject was oscillated, they were asked to discern the direction gap of Landolt-C optotypes of varying sizes and verbally reported the direction while an operator recorded their response using a gamepad. Subjects were outfitted with accelerometers (sampling rate = 128 Hz) on their head, trunk and lumbar spine. A fast Fourier transform was performed on the vertical trunk acceleration to compare the peak and spread of the distribution of oscillation frequencies for each oscillating condition. The spread of the frequency distribution for the manual chair was not significantly different from either the treadmill or the automated chair. However, all three conditions had similar non-zero standard error values, suggesting a variance in head movement frequency which may affect DVA. The average oscillation frequency of the manual chair (1.85 Hz) was significantly different (α=0.05) from that of treadmill walking (2.24 Hz), but not significantly different from that of the automated chair (1.85 Hz) and all three conditions had small standard errors (SEM = 0.04, 0.06, and 0.08 Hz for manual, treadmill, and automated respectively). This implies that both chairs oscillate at a frequency below that of treadmill walking, but are comparable to each other and reproducible across sessions. Additionally, DVA scores did not vary significantly across conditions. The smaller spread values of the oscillating chairs' frequencies indicated mitigation of variation induced by locomotor strategies, which enables better examination of the issue of VOR adaptation. Furthermore, due to the deconditioned state of crewmembers in the initial hours after landing, it is easier to transport a manual bouncing chair into the field and safer to perform a vision test while seated in a chair versus walking on a treadmill. Therefore, the manually oscillating chair has been deemed to meet and exceed the DVA testing capabilities previously obtained by treadmill walking.

Kreutzberg, G. A.↗
DOE OSTI2013

12 GeV detector technology at Jefferson Lab

The Thomas Jefferson National Accelerator Facility (JLab) is presently in the middle of an upgrade to increase the energy of its CW electron beam from 6 GeV to 12 GeV along with the addition of a fourth experimental hall. Driven both by necessity and availability, novel detectors and electronics modules have been used in the upgrade. One such sensor is the Silicon Photomultiplier (SiPM), specifically a Multi-Pixel Photon Counter (MPPC), which is an array of avalanche photodiode pixels operating in Geiger mode that are used to sense photons. The SiPMs replace conventional photomultiplier tubes and have several distinct advantages including the safe operation in a magnetic field and the lack of need for high voltage. Another key to 12 GeV success is advanced fast electronics. Jlab will use custom 250 MHz and 125 MHz 12-bit analog to digital converters (ADCs) and time to digital converters (TDCs) all of which take advantage of VME Switched Serial (VXS) bus with its GB/s high bandwidth readout capability. These new technologies will be used to readout drift chambers, calorimeters, spectrometers and other particle detectors at Jlab once the 12 GeV upgrade is complete. The largest experiment at Jlab utilizing these components is GlueX - an experiment in the newly constructed Hall D that will study the photoproduction of light mesons in the search for hybrid mesons. The performance of these components and their respective detectors will be presented.

43 PARTICLE ACCELERATORS↗