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

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Development and Validation of a Simulation Tool to Predict the Combined Structural, Electrical, Electrochemical and Thermal Responses of Automotive Batteries

Battery safety is one of the most important design factors of electrified vehicles (EVs) since battery failure may lead to a catastrophic consequence. To improve the safety of battery systems in EVs, battery behaviors under various abuse conditions should be well understood. One way to examine battery response under extreme conditions is to conduct abuse tests in different scenarios. They can provide first-hand pass/fail information on battery safety, but they are usually expensive and time-consuming, which is inconvenient during design iterations and optimization. On the other hand, computational modeling can predict the battery behaviors in a more efficient and cost-effective way, which becomes an important tool to evaluate battery safety. Modeling battery responses and failure is challenging since it involves multiple coupled physical processes, needs to consider complex material properties and is computationally intensive. This project aims to develop a practical simulation tool to predict the combined structural, electrical, electrochemical, and thermal responses of automotive batteries to crash-induced crush and short circuit and validate it for conditions relevant to automotive crash. Advanced material constitutive models will be utilized to capture the mechanical response of cell components. Moreover, methods will be developed to reduce computational complexity of the model and allow battery safety simulations to extend from cell-level to module/pack level with affordable computational resources.

25 ENERGY STORAGE↗
DOE OSTI2025

Synthesis and Characterization of Soy Hull Biochar-Based Flexible Polyurethane Foam Composites

Flexible polyurethane foams are a diverse class of materials encompassing furniture, packaging, automotive, and many other industrial and domestic applications. Polyurethane foams are synthesized by the addition of polyols and isocyanates; however, the petroleum origin and toxic nature of isocyanates have driven many to look for more sustainable routes to production. Renewable fillers have emerged as a biobased resource to decrease the carbon footprint of this widely used polymeric material. In this study, soy hulls, as mass-produced, industrial by-products of soybean production, were used to create a biochar beneficial in the synthesis of flexible polyurethane foam composites. The addition of soy hull biochar was found to maintain the compression properties of foams at a decreasing isocyanate index, reducing the amount of isocyanates needed for production. In addition, the addition of biochar decreased the flammability of foams, important for many applications where consumer safety is important. The results point to the ability to create safer, more sustainable, and even more cost-effective polyurethane foams through the reduction in isocyanate use while maintaining the properties of this important class of polymers.

Chemistry↗
DOE OSTI2023

Enabling Structure/Interface Regulation for High Performance Ni-Rich Cathodes

Here, further commercialization of Ni-rich layered cathodes is hindered by severe structure/interface degradation and kinetic hindrance that occur during electrochemical operation, which leads to safety risks and reduced range in electric vehicles (EVs). Herein, by selecting elements with different solubility properties, a multifunctional strategy that synchronously fabricates perovskite-type SrZrO 3 coating and Sr/Zr co-doping is employed to strengthen the structure/interface stability and the Li + transport mobility of LiNi 0.85 Co 0.10 Mn 0.05 O 2 (NCM). Perovskite-type SrZrO 3 protective layers formed on the particle surface can substantially mitigate the unexpected interfacial side reactions and surface phase transitions. In addition, a robust crystal framework is constructed by optimizing local O coordination through the introduction of strong Zr-O bonds. Notably, Li + diffusion kinetics is effectively improved due to expanded cell parameters and O-Li-O slab spacing with the incorporation of large-diameter Sr pillar ions, as revealed by X-ray diffraction. As a result, the Sr/Zr-modified NCM achieves a remarkable capacity retention of 99.4% after 200 cycles at 1 C, and a high rate capacity of 168.9 mAh g -1 at 10 C. This work opens new avenues to develop high-performance NCM cathodes with high energy and high power for EVs with long calendar life.

25 ENERGY STORAGE↗
DOE OSTI2021

Visualization of Solid-State Synthesis for Chalcogenide Na Superionic Conductors by in-situ Neutron Diffraction

Chalcogenide superionic sodium (Na) conductors are great potential as solid electrolytes (SEs) in all-solid-state Na batteries with advantages of high energy density and safety, and cost effectiveness. For solid Na-ion conductors, their crystal structures and ionically conductive properties are strongly influenced by the synthetic approaches and processing parameters. Thus, understanding the synthesis process is essential to control the structures and phases and thereby yields to Na-ion conductors with desirable properties. Thanks to the high-flux and deep-penetrating time-of-flight neutron diffraction (ND), we employed in situ experiments to track real-time structural changes of two chalcogenide SEs (Na 3 SbS 4 and Na 3 SbS 3.5 Se 0.5 ) during the solid-state synthesis. For these two conductors, the ND results reveal a fast one-step reaction for the synthesis and the molten process when heating up, and the recrystallization as well as the cubic-to-tetragonal phase transition up on cooling. Moreover, Se-doping is found to influence the reaction temperatures, lattice parameter and structure stability based on neutron experimental observations and theoretical simulation. This work presents a detailed structural study using in situ neutron diffraction technology for the solid synthesis process of chalcogenide Na-ion conductors, beneficial for the design and synthesis of new solid-state conductors.

25 ENERGY STORAGE↗
DOE OSTI2020

Quantum prediction of ultra-low thermal conductivity in lithium intercalation materials

Lithium-intercalated layered transition-metal oxides, Li x TMO 2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip storage. Thermal transport properties, although being a crucial element in limiting the charging/discharging rate, package density, energy efficiency, and safety of batteries as well as the controllability and energy consumption of memristors, are poorly managed or even understood yet. Here, for the first time, we employ quantum calculations including high-order lattice anharmonicity and find that the thermal conductivity κ of Li x TMO 2 materials is significantly lower than hitherto believed. More specifically, the theoretical upper limit of κ of LiCoO 2 is 6 W/m-K, 2–6 times lower than the prior theoretical predictions. Delithiation further reduces κ by 40–70% for LiCoO 2 and LiNbO 2 . Grain boundaries, strain, and porosity are yet additional causes of thermal-conductivity reduction, while Li-ion diffusion and electrical transport are found to have only a minor effect on phonon thermal transport. The results elucidate several long-standing issues regarding the thermal transport in lithium-intercalated materials and provide guidance toward designing high-energy-density batteries and controllable memristors.

25 ENERGY STORAGE↗
DOE OSTI2021

Sensitivity and Effective Parameterization of a Multi-Scale Model of Proton-Exchange-Membrane Water Electrolysis

The development of proton-exchange-membrane water electrolysis (PEMWE) is crucial to establishing a green-hydrogen infrastructure. Active research in hydrogen technologies is focused on minimizing costs, improving efficiency, and mitigating safety risks. In this study, sensitivity analyses were performed using a physics-based model and used to identify critical parameters capable of reducing overpotentials and safety risks. These parameters include operational (i.e. temperature), structural (i.e. thickness of the components), and material properties (i.e. exchange current density). Simulated results suggest that better engineering of the membrane electrode assemblies (MEA) can offset intrinsic limitations. Membrane thickness and conductivity yielded the largest percent change on performance. Gas crossover was observed to be sensitive to diffusion, solubility, and bubble formation. Current density regimes were identified, where each crossover parameter was most influential. MEA parameterization serves as a framework for theoretical PEMWE optimization simulations and input for design criteria for future research targets.

Dizon, A↗
DOE OSTI2024

Residual Stress Measurements of Cr-coated Cladding

Accident-tolerant fuel concepts for light-water reactor applications have been developed and tested in diverse research programs around the world. Industry teams have developed coated cladding concepts using different coating application methods, such as physical vapor deposition and coldspraying. Recently, variations in thickness and application method were investigated, and their effects on the microstructure and mechanical properties were reported. The results suggest an increase in performance in an unirradiated state, however, it remains unclear what phenomenon drove this performance. One explanation to this performance is associated with the coating process imparting a residual stress. Residual stress analysis was performed on coatings produced with various process parameters to understand how a thin layer of Cr impacts the mechanical properties after coating application and after simulated operating conditions. The gathered information is intended to address safety concerns or support margin identification related to accident-tolerant fuels and to support subsequent modeling and simulation efforts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Review of Graphite Properties Relevant to Micro-Reactor Design

Microreactors are advanced reactors that are designed to be small, scalable, and portable with up to 20 MW power. These reactors could operate independently, or as part of a microgrid, without need of a frequent refueling. Micro-reactors are designed to be deployable to provide electric power in remote locations, therefore providing greater flexibility. Several micro-reactors are under development in the US. These reactors are based on advanced gas-cooled or heat-pipe concepts. While Graphite can be found in various applications, some high-temperature reactors plan to employ Graphite in their core components due to its role as a moderator and its ability to maintain its structural integrity when subjected to elevated temperatures and high neutron fluence. Although there is significant experience with use of Graphite in nuclear applications, there are still unknowns that should be addressed. Graphite properties depend on the graphite type and affected by the fabrication procedures. Material properties are functions of the temperature and irradiation dose. The fundamental properties also affected by the oxidation environment. Therefore, in-depth understanding of graphite properties, including the effect of irradiation, oxidation and other influencing parameters are required to evaluate the design accurately. This draft aims to provide a comprehensive review of material properties for Graphite relevant to micro reactor design. For this work, two distinct grades of graphite were considered, namely IG-110 and Mersen-2114. Physical, thermal, and mechanical properties for these grades were comparatively evaluated. The properties that are discussed in this draft aim to serve as a basis for design and safety analysis.

42 ENGINEERING↗
DOE OSTI2025

PHASE: Personalized Head-based Automatic Simulation for Electromagnetic properties in 7T MRI

Accurate and individualized human head models are becoming increasingly important for electromagnetic (EM) simulations. These simulations depend on precise anatomical representations to realistically model electric and magnetic field distributions, particularly when evaluating Specific Absorption Rate (SAR) within safety guidelines. State of the art simulations use the Virtual Population due to limited public resources and the impracticality of manually annotating patient data at scale. Here, this paper introduces Personalized Head-based Automatic Simulation for EM properties (PHASE), an automated open-source toolbox that generates high-resolution, patient-specific head models for EM simulations using paired T1-weighted (T1w) magnetic resonance imaging (MRI) and computed tomography (CT) scans with 14 tissue labels. To evaluate the performance of PHASE models, we conduct semi-automated segmentation and EM simulations on 15 real human patients, serving as the gold standard reference. The PHASE model achieved comparable global SAR and localized SAR averaged over 10 grams of tissue (SAR-10g), demonstrating its potential as a promising tool for generating large-scale human model datasets in the future. The code and models of PHASE toolbox have been made publicly available: https://github.com/hrlblab/PHASE.

Deep learning↗
DOE OSTI2020

An Improved Model For Determining Salinity Recharge Time for Deep Borehole Disposal - 20405

In a previous publication (K. P. Travis, D. Burley and F. G. F. Gibb, WM2017 Conference, Phoenix Arizona paper no. 17480) we introduced a numerical model to estimate the time it would take for a pressure perturbation to subside following its creation from the construction of a deep geological borehole in water-saturated rock. The model was based on the notion of a point source of momentum - a solution of the time-dependent pressure-diffusion equation. Using the model, we estimated that it would take on the order of 10 k years for physical equilibrium to become re-established following the sinking of a 5 km borehole in granite. The significance of such a model is that it places an upper bound on the lifetime required of a borehole sealing system - a necessary input to a borehole post-closure safety case assessment. No engineered sealing system has ever been devised which is capable of retaining its sealing properties for 10 half-lives of long-lived radioisotopes in spent fuel or high-level waste. One of the key advantages of disposing of nuclear waste via Deep Borehole Disposal (DBD) is the natural sealing provided by density stratified groundwater. Upon sinking of a borehole, and subsequent filling with fresh water, brine or drilling mud, this natural barrier may be temporarily damaged. Over time, fresh brine from the far-field will flow towards or away from the hole (driven by a pressure gradient) and will eventually re-establish the original salinity gradient. It follows that the engineered seals need last only as long as the time required for this salinity gradient to reset itself. One of the limitations of our previous model was the use of a static boundary condition on the borehole wall. The model used a boundary pressure which varied quadratically with depth (arising from differences between the pressure of a column of fresh water in the borehole and that of a column of brine in the host rock). However as brine replaces fresh water in the borehole (driven by a pressure gradient), the boundary function must change with time. We now introduce an improved model which takes this time dependent boundary condition into account. The model also takes into account the time taken for a mixture of brine and fresh water to re-establish chemical equilibrium through the process of diffusion. The paper contains the mathematical details of our new iterative model as well as results showing the time taken to reach steady state, and concentration profiles for the components of the brine-filled borehole as a function of time together with a discussion on the implications of the results for developing a post-closure safety assessment for DBD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Recent progresses on thermal–hydraulics evaluations of accident tolerant fuel cladding materials

Thermal–hydraulics (T-H) experiments have been on the progress to evaluate boiling heat transfer characteristics of accident tolerant fuel (ATF) candidates for further supporting the core-loading of these advanced ATF concepts in light water reactors (LWRs). Here this study covers recent experimental studies of ATF claddings and summarizes some significant results. Recent T-H experimental results of ATF cladding candidates demonstrated that the material thermal–physical properties have pronounced effects on critical heat flux (CHF). Such effects have not been well resolved in the current physics-governing models. These effects of cladding materials on CHF could be potentially rationalized by the material-conjugated boiling heat transfer, where the material-dominated heat conduction competes with the flow boiling-dominated heat convection. As progressively increasing the mass flux and/or liquid subcooling, CHF differences between different materials gradually decrease, which is in agreement with the recent T-H experimental results of ATF claddings. This is because the dominance of heat convection over heat conduction is primarily improved by liquid subcooling and/or mass flow rate. It is noteworthy that surface oxidization of claddings may have unknown impacts on T-H performances because the formation of oxide layers on cladding surfaces introduces variations of material thermal–physical properties and then changes the surface morphological features, which results in some difficulties in evaluating the thermal safety margins of ATF claddings.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Assessment of Machine Learning for Ultrasonic Nondestructive Evaluation of Alkali–Silica Reaction in Concrete

Alkali–silica reaction (ASR) is a type of material degradation in concrete structures that leads to concrete cracking and rebar corrosion, thereby reducing the material’s structural integrity and the overall structure’s lifetime and raising safety concerns. Ultrasonic nondestructive evaluation (NDE) has been proven to be a valuable technique for assessing concrete properties and monitoring ASR progression in concrete. However, the deployment and analysis of ultrasonic NDE and its data requires specialized expertise, often relying on the engineer’s subjective interpretation. With the surge in computational power, artificial intelligence (AI) and machine learning (ML) algorithms have become popular in automating NDE data analysis. Various industrial sectors are increasingly adopting ML algorithms for NDE data analysis with a growing emphasis on AI–assisted automation. Regulatory agencies are also preparing for this technological shift, anticipating corresponding revisions in standards. Thus, there is an urgent need to identify the capabilities and limitations of current ML technologies for the evaluation of concrete material properties and damage status. Furthermore, the effects of various factors on ML model performance must be thoroughly investigated. The study summarized herein evaluated the effectiveness of two ML models (i.e., support vector regression (SVR) and deep neural network (DNN)) in predicting concrete material damage induced by ASR based on the long-term ultrasonic monitoring data. Four distinct concrete specimens were cast with artificially induced ASR, and over a period exceeding 500 days, ultrasonic signals and expansion data were continuously collected. For the SVR model, wave velocity and 12 other wave features were extracted from the ultrasonic signals, with 6 out of 13 features selected as input for the model. Different combinations of training and testing datasets were designed to explore factors influencing prediction performance, including the range of data within training and testing sets, in addition to various signal preprocessing methodologies. These findings suggest the importance of using a training dataset with a broader data range compared with testing datasets for improved model performance alongside consistent signal preprocessing across datasets.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fundamental Investigations into the Properties and Performance of Advanced Materials

Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over ii the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.

Schichtel, Jacob J.↗
DOE OSTI2023

Exploring the process-structure-property relationship of Aerosol Deposition to phosphor coatings for non-contact thermometry

Full-field, multi-measurand diagnostics provide rich validation data necessary to improve the product life cycle time of nuclear safety components. Thermophosphor digital image correlation (TP+DIC) is a method of simultaneously measuring strain and temperature fields using patterned phosphor coatings deposited with aerosol deposition (AD). While TP+DIC produces a functional diagnostic, the coating’s reproducibility and the effect of the patterned features on the inferred temperature remains uncharacterized. This NSR&D project provided the opportunity to study two areas: 1) the tunability and repeatability of aerosol deposition and 2) the robustness of aerosol deposition phosphor on deforming substrates. The first area explores the process-property relationship of parameters elucidating the significance of each on the coating. The second area explores the relationship between the features’ characteristics (namely thickness) and the phosphor emission and inferred temperature. Together, the results will lead to the improved accuracy and functionality of TP+DIC for qualification testing of nuclear safety components.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.4 is a program that obtains a steady-state flow and temperature solution, in geometrical extent, for a nuclear reactor core, or a single fuel assembly, including the effect of manufacturing and modelling uncertainties by the means of hot channel factors. It is based on an evolutionary sequence of codes originally used for calculating plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over the past 30 years. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset of nucleate boiling ratio (ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability for select design and safety parameters is available to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Comparison of mechanical properties measured on multiple scales

FeCrAl alloys are being developed for accident tolerant fuels for current light water reactors. Specifically as fuel claddings with enhanced safety. These alloys are being developed to have excellent corrosion resistance in light water reactor coolant environments and structural integrity for longer durations in the case of a loss of coolant scenario where time is critical for safety. Tensile, shear punch, and Vickers hardness testing was performed on neutron irradiated FeCrAl alloys with three variations in composition. Testing was done at room temperature for comparison of the three techniques. FeCrAl alloys in this report were irradiated at Oak Ridge National Laboratory (ORNL) in the High Flux Isotope Reactor (HFIR) to 7 dpa and at 320 °C.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Alfvén mode spectrum in the advanced steady-state tokamak scenario with negative triangularity

In the earlier studies [Zheng et al. Fundam. Plasma Phys. 10, 100051 (2024)], the negative triangularity tokamak was shown to have a unique and outstanding feature for the steady-state confinement. In addition to relieving the divertor heat load concern, it can reach a much higher beta limit in the nearly steady-state confinement, about twice the Troyon limit in the positive triangularity case. In this work, we extend the investigation to the Alfvén spectrum and toroidal Alfvén eigenmodes (TAEs). This helps to evaluate the property of energetic particle confinement in this advanced scenario of a negative triangularity tokamak. We found that, because of the large safety factor and reversed magnetic shear in the core plasma region near the magnetic axis, the TAE gap tends to be closed or have only a short radial extension between the continua. in the on-axis core region and open primarily in the off-axis region, where TAEs are shown to be present. This indicates that energetic particle confinement in the core region near the magnetic axis, where nuclear fusion reactions prevail, is not seriously affected by the excitation of TAEs in this scenario. The configuration with off-axis TAEs helps the confinement of energetic particles as compared to the configuration with near-axis TAEs. The results show that the advanced steady-state tokamak scenario with negative triangularity, because of the rapid variation of the safety factor, also has a favorable feature for energetic particle confinement.

Fourier analysis↗
DOE OSTI2024

DICER: A new instrument at LANSCE to constrain neutron capture rates on radionuclides

. With very few exceptions, direct measurements of neutron capture rates on radionuclides have not been possible. A number of indirect methods have been pursued such as the surrogate method, the γ-ray strength function method, the Oslo method and the β-Oslo method. Substantial effort has been devoted to quantify the usually large systematic errors that accompany the results from these techniques. A new instrument has been developed at the Los Alamos Neutron Science Center (LANSCE) to provide more accu rate data on several radionuclides relevant to nuclear criticality safety, radiochemical diagnostics, astrophysics, nuclear forensics and nuclear security, by measuring the transmission of neutrons through radioactive samples and studying resonance properties. The Device for Indirect Capture on Radionuclides (DICER) and as sociated radionuclide production at the Isotope Production Facility (IPF), both at LANSCE, as well radioactive sample fabrication, have been under development the last few years. A description of the new apparatus, data on a few mid-weight stable isotopes and efforts on radionuclide measurements will be presented.

Nuclear Criticality Safety Program (NCSP)↗