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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 OSTI2013

Cleaner Energy for Cars

Representing the Center for Catalytic Hydrocarbon Functionalization (CCHF), this document is one of the entries in the Ten Hundred and One Word Challenge. As part of the challenge, the 46 Energy Frontier Research Centers were invited to represent their science in images, cartoons, photos, words and original paintings, but any descriptions or words could only use the 1000 most commonly used words in the English language, with the addition of one word important to each of the EFRCs and the mission of DOE: energy. The mission of CCHF is to develop, validate, and optimize new methods to rearrange the bonds of hydrocarbons, implement enzymatic strategies into synthetic systems, and design optimal environments for catalysts that can be used to reversibly functionalize hydrocarbons, especially for more efficient use of natural gas including low temperature conversion to liquid fuels.

08 HYDROGEN↗
DOE OSTI2015

Upper Subcritical Limit Calculations with Correlated Integral Experiments

The American National Standards Institute (ANSI) and American Nuclear Society (ANS) standard for Validation of Neutron Transport Methods for Nuclear Criticality Safety Calculations defines the Upper Subcritical Limit (USL) as “a limit on the calculated k effective value established to ensure that conditions calculated to be subcritical will actually be subcritical.” Often, USL calculations are based on statistical techniques that infer information about a nuclear system of interest (application) from a set of known/well characterized similar systems (experiments). In determining a USL, it is common to statistically determine a calculation bias and bias uncertainty. Bias is “the systematic difference between calculated results and experimental data.” The bias uncertainty is “the uncertainty that accounts for the combined effects of uncertainties in the benchmarks, the calculational models of the benchmarks, and the calculational methods.” Both the bias and the bias uncertainty are often inferred through statistical methods applied to the selected set of experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Upper Subcritical Calculations Based on Correlated Data

The American National Standards Institute and American Nuclear Society standard for Validation of Neutron Transport Methods for Nuclear Criticality Safety Calculations defines the upper subcritical limit (USL) as “a limit on the calculated k-effective value established to ensure that conditions calculated to be subcritical will actually be subcritical.” Often, USL calculations are based on statistical techniques that infer information about a nuclear system of interest from a set of known/well-characterized similar systems. The work in this paper is part of an active area of research to investigate the way traditional trending analysis is used in the nuclear industry, and in particular, the research is assessing the impact of the underlying assumption that the experimental data being analyzed for USL calculations are statistically independent. In contrast, the multiple experiments typically used for USL calculations can be correlated because they are often performed at the same facilities using the same materials and measurement techniques. This paper addresses this issue by providing a set of statistical inference methods to calculate the bias and bias uncertainty based on the underlying assumption that the experimental data are correlated. Methods to quantify these correlations are the subject of a companion paper and will not be discussed here. The newly proposed USL methodology is based on the assumption that the integral experiments selected for use in the establishment of the USL are sufficiently applicable and that experimental correlations are known. Under the assumption of uncorrelated data, the new methods collapse directly to familiar USL equations currently used. We will demonstrate our proposed methods on real data and compare them to calculations of currently used methods such as USLSTATS and NUREG/CR-6698. Lastly, we will also demonstrate the effect experiment correlations can have on USL calculations.

42 ENGINEERING↗
DOE OSTI2017

Test Methodologies for Hydrogen Sensor Performance Assessment: Chamber vs. Flow Through Test Apparatus: Preprint

Certification of hydrogen sensors to standards often prescribes using large-volume test chambers [1, 2]. However, feedback from stakeholders such as sensor manufacturers and end-users indicate that chamber test methods are often viewed as too slow and expensive for routine assessment. Flow through test methods potentially are an efficient, cost-effective alternative for sensor performance assessment. A large number of sensors can be simultaneously tested, in series or in parallel, with an appropriate flow through test fixture. The recent development of sensors with response times of less than 1s mandates improvements in equipment and methodology to properly capture the performance of this new generation of fast sensors; flow methods are a viable approach for accurate response and recovery time determinations, but there are potential drawbacks. According to ISO 26142 [1], flow through test methods may not properly simulate ambient applications. In chamber test methods, gas transport to the sensor can be dominated by diffusion which is viewed by some users as mimicking deployment in rooms and other confined spaces. Alternatively, in flow through methods, forced flow transports the gas to the sensing element. The advective flow dynamics may induce changes in the sensor behaviour relative to the quasi-quiescent condition that may prevail in chamber test methods. One goal of the current activity in the JRC and NREL sensor laboratories [3, 4] is to develop a validated flow through apparatus and methods for hydrogen sensor performance testing. In addition to minimizing the impact on sensor behaviour induced by differences in flow dynamics, challenges associated with flow through methods include the ability to control environmental parameters (humidity, pressure and temperature) during the test and changes in the test gas composition induced by chemical reactions with upstream sensors. Guidelines on flow through test apparatus design and protocols for the evaluation of hydrogen sensor performance are being developed. Various commercial sensor platforms (e.g., thermal conductivity, catalytic and metal semiconductor) were used to demonstrate the advantages and issues with the flow through methodology.

14 SOLAR ENERGY↗
DOE OSTI2015

Computational redesign reveals allosteric mutation hotspots of organophosphate hydrolase that enhance organophosphate hydrolysis

Organophosphates are widely used for peaceful (agriculture) and military purposes (chemical warfare agents). The extraordinary toxicity of organophosphates and the risk of deployment, make it critical to develop means for their rapid and efficient deactivation. Organophosphate hydrolase (OPH) already plays an important role in organophosphate remediation, but is insufficient for therapeutic or prophylactic purposes primarily due to low substrate affinity. Current efforts focus on directly modifying the active site to differentiate substrate specificity and increase catalytic activity. Here, we present a novel strategy for enhancing the general catalytic efficiency of OPH through computational redesign of the residues that are allosterically coupled to the active site and validated our design by mutagenesis. Specifically, we identify five such hot-spot residues for allosteric regulation and assay these mutants for hydrolysis activity against paraoxon, a chemical-weapons simulant. A high percentage of the predicted mutants exhibit enhanced activity over wild-type (k cat =16.63 s -1 ), such as T199I/T54I (899.5 s -1 ) and C227V/T199I/T54I (848 s -1 ), while the Km remains relatively unchanged in our high-throughput cell-free expression system. Further computational studies of protein dynamics reveal four distinct distal regions coupled to the active site that display significant changes in conformation dynamics upon these identified mutations. These results validate a computational design method that is both efficient and easily adapted as a general procedure for enzymatic enhancement.

organophosphate hydrolase↗
DOE OSTI2021

Identification of Life Models for Li-Ion Batteries Using Penalized Regression and Bilevel Optimization

Reduced-order physics-based life models are extremely useful for rapidly predicting battery state-of-health and for simulating battery lifetime in arbitrary aging conditions. However, identification of well-parameterized models is difficult. This is because, for maximum usefulness in predicting lifetime under a variety of conditions, aging test data exhibits many degradation mechanisms, which all need to be accurately modeled. However, because aging tests are time-consuming and expensive, especially for large-format batteries, a minimum of tests are conducted while probing many stress factors. Building a well-parameterized model is then very challenging: an under-parameterized model will neglect critical degradation modes, and an over-parameterized model will extrapolate poorly to new testing conditions. To complicate this matter, the functional form of the model for any individual degradation rate can be very difficult to identify. In this work, the statistical tools of penalized regression and bilevel optimization are used to help identify both the functional forms of and optimize the parameters of reduced-order life models, accelerating identification of robust models. Model robustness is demonstrated through traditional statistics methods of cross-validation and sensitivity analysis, uncertainty quantification through bootstrap resampling and Monte-Carlo simulation, and simulation of real-world use cases.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Scheduling and Control of Flexible Building Loads for Grid Services Based on a Virtual Battery Model

This paper presents a framework for modeling, scheduling, and controlling residential thermostatically controlled loads (TCLs) to provide multiple grid services, such as energy shifting, peak load reduction, and ancillary services. A modeling method is proposed to characterize the aggregate flexibility from heterogeneous TCLs using a battery-equivalent model. Based on the flexibility model, a multi-period optimal scheduling formulation is developed to best utilize the flexibility from building loads and maximize total benefits from stacked value streams. An algorithm is proposed to control individual TCLs to follow the desired power consumption in real-time. The proposed methods are illustrated and validated through simulations.

Wu, Di↗
DOE OSTI2021

Detection, monitoring, and determination of location of changes in metallic structures using multimode acoustic signals

Acoustic transducers generate and receive acoustic signals at multiple locations along a surface of rigid structure, wherein longitudinal spacing between transducer locations define measurement zones. Acoustic signals with chosen amplitude-time-frequency characteristics excite multiple vibration modes in the structure within each zone. Small mechanical changes in inspection zones lead to scattering and attenuation of broadband acoustic signals, which are detectable as changes in received signal characteristics as part of a through-transmission technique. Additional use of short, narrowband pulse acoustic signals as part of a pulse-echo technique allows determination of the relative location of the mechanical change within each zone based on the differential delay profiles. For accurate acoustic modeling and simulation, the mesh size, time step, time delay, and time-window size are optimized. Frequency normalization of the Short-Time Fourier Transform of acoustic response output improves experiment-simulation cross-validation. Applications of the method to structures with arbitrarily complex geometries are also demonstrated.

Findikoglu, Alp Tugrul↗
DOE OSTI2022

LWR Aging Management for Life Beyond 80

While several decades of materials degradation research enabled the current US fleet of Light Water Reactors (LWR) to plan to produce electrical power through extended operations up to 80 years of plant life, it now seems appropriate to evaluate what issues, methods, and timelines need to be considered to meet the expected electric power demands for life beyond eighty (LBE) years. To address these questions, it will be necessary to review the electrical capacity and the projected LWR fleet capacity including new builds and advanced reactors. This effort should begin with a materials degradation assessment focused on known and possible unknown issues using a reduced Expanded Materials Degradation Assessment [1], which was employed to identify knowledge gaps for a second license renewal (60-80 yrs.). The focus of the LBE assessment should include: Establishing a timeline to initiate assessments of possible materials aging issues and to ensure sufficient time to evaluate materials degradation research gaps; assessing components and materials to be evaluated, e.g., metals (reactor pressure vessels and alloys within and outside the pressure boundary), concrete, cables, as well as mitigation methods, advanced monitoring, and validation with ex-service materials; initiating a LBE research plan focused on developing an expanded mechanistic understanding of materials degradation and refined models through Codes and Standards evaluation for use by the nuclear industry; and maintaining and strengthening the nuclear materials human knowledge base to address new and as yet unknown degradation modes.

Chen, Xiang↗
DOE OSTI2022

Thermal Stress Modeling and Analysis of Packed-bed Thermocline Energy Storage Tank for INL Thermal Energy Distribution System (TEDS)

The Thermal Energy Distribution System (TEDS) at Idaho National Laboratory (INL) is a thermal-hydraulic flow loop to support the integration of co-located multiple experimental systems, where a packed-bed thermal energy storage (TES) is installed as a thermal buffer and storage unit for TEDS. The packed-bed TES is adopted in TEDS because of its benefit as a low-cost single-tank storage option compared to the traditional two-tank storage. However, thermal ratcheting is one potential design concern which is caused by the rearrangement of granular filler inside a packed-bed tank during continuous thermal cycling operation of the packed-bed TES tank. If the thermally induced stress exceeds yield strength of the tank wall, it may cause catastrophic consequences like rupture of the thermal storage tank. Thus, it is crucial to understand the phenomenon to ensure the robust operation. Based on the temperature boundary conditions given by transient thermal analyses with computational fluid dynamics (CFD) simulations, the thermal ratcheting analysis is then conducted to evaluate the hoop stress and resultant thermal ratcheting potential of the TES tanks with two different modeling approaches: (1) infinite rigidity model and (2) Drucker-Prager (DP) model. The validity of each modeling method was examined by comparing the numerical simulation with the experimental data obtained from the packed-bed TES tank for Solar One Plant and evaluate the thermal ratcheting potential of the TEDS TES tank.

25 ENERGY STORAGE↗
DOE OSTI2017

HFE in the design of the socio-technical system of the control room of a new generation reactor: issues faced during multistage validation - 126

This paper deals with the contribution of Human Factors and Ergonomics (HF and E) experts to the design of the control room (CR) of a new generation reactor (NGR), our view of the multistage validation (MSV) process and the issues faced during it. Our approach to MSV was to articulate two points of view: the designers' point of view (test and explore various design options) and the regulatory authorities' point of view (validate the performance of the socio-technical system of the CR). To perform this articulation, both tests and validation shared the same method and goals. The main issues faced during this process were to (1) get a coherent and integrated version of the full-scope simulator when the design of the socio-technical system of the CR was still in progress, (2) determine when to stop MSVs, and (3) define a criterion for the sampling of operational conditions. The first issue led us to the conclusion that specific project milestones synchronising the design of every part of the CR have to be planned early in the project in order to mitigate the risk of delaying WSTs (Whole System Tests). Regarding the second issue, we advocate that no further WSTs are required when the last modifications brought to the CR design have no significant impact on crews' activities. Finally, concerning the last issue, we think that performing WSTs in all classes of situations a crew may face during operating the plant is necessary. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

An in-line burn-up algorithm: proposal and preliminary analysis

A new burn-up algorithm is proposed for coupling neutronics and isotopic depletion. The algorithm is analogous to those proposed for enforcing xenon equilibrium and converging neutronics and thermal-hydraulics. During the corrector step of standard predictor-corrector methods, the corrector nuclide density is updated as neutronics converges. This is expected to improve stability while reducing computational expense compared to other implicit algorithms. The stability of the algorithm is investigated by Fourier analysis for a simple case whose results have been successfully compared with numerical experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

A Brief Survey on High Performance Computing Systems Power Management

This paper provides a survey of software-based power management techniques in High Performance Computing (HPC) systems. Seven existing power management and monitoring tools and frameworks are discussed. These are: Variorum, dynamic energy-performance optimizer (DEPO), Powersched, Bull Dynamic Power Optimizer (BDPO), Energy Aware Runtime (EAR), Global Extensible Open Power Manager (GEOPM), and PoLiMEr. Each of these tools is evaluated based on hardware abstraction, optimization methods, usability, and experimental validation. This survey highlights the diversity of approaches in managing energy efficiency, from vendor-neutral APIs to algorithm-driven power capping, and dynamic frequency adjustments. Given that energy requirements for large computational systems is increasing quickly, the importance of integrating these tools into existing HPC environments and the need for further research in this rapidly evolving field is also discussed.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Status of the Down-Blending of Irradiated IGR Graphite Fuel in Kazakhstan

Dry processing remains the primary solution for managing the down-blending of irradiated IGR HEU fuel. Several tasks have been initiated and completed to achieve this, including lab modernization, lab-scale and full-scale testing, designing and fabricating an in-paddle mixing drum, and commissioning both a down-blending system and a crushing and milling system. Additionally, a testing and training center was modernized, the equipment was successfully commissioned, and the IGR HEU fuel blocks were repackaged into daily containers. The training of operators and the construction of a new down-blending facility are tasks that will need to be completed in the near future. The progress in these areas continues to validate that the proposed method for down-blending irradiated HEU graphite fuel, followed by cementation of the down-blended material for permanent disposition, appears to be achievable.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗