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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Simulating quantum-classical interfaces via the Lindblad master equation

In hybrid quantum systems, the interface between quantum and classical domains is essential for the generation, control, and measurement of quantum states. Quantum-classical interfaces (QCIs) are ubiquitous in devices such as optical modulators, quantum sensors, and signal processors, where classical signals influence quantum dynamics. In this paper, we employ the Lindblad master equation to simulate the evolution of a quantum system interacting with a classical control system. Our model captures both linear and nonlinear interactions by incorporating first- and second-order susceptibilities, and it quantifies the influence of externally applied control parameters on decoherence and state evolution. As an illustrative example, we analyze an optical modulator and demonstrate how variations in material response and drive conditions affect photon statistics, coherence, and phase-space distributions. In conclusion, the findings offer a path to an all-encompassing model for understanding and optimizing QCIs, with wide-ranging implications for the performance, design, and robustness of next-generation quantum devices.

Quantum engineering↗
NASA NTRS1985

Delamination micromechanics analysis

A three-dimensional finite element analysis was developed which includes elastoplastic, orthotropic material response, and fracture initiation and propagation. Energy absorption due to physical failure processes characteristic of the heterogeneous and anisotropic nature of composite materials is modeled. A local energy release rate in the presence of plasticity was defined and used as a criterion to predict the onset and growth of cracks in both micromechanics and macromechanics analyses. This crack growth simulation technique is based upon a virtual crack extension method. A three-dimensional finite element micromechanics model is used to study the effects of broken fibers, cracked matrix and fiber-matrix debond on the fracture toughness of the unidirectional composite. The energy release rates at the onset of unstable crack growth in the micromechanics analyses are used as critical energy release rates in the macromechanics analysis. This integrated micromechanical and macromechanical fracture criterion is shown to be very effective in predicting the onset and growth of cracks in general multilayered composite laminates by applying the criterion to a single-edge notched graphite/epoxy laminate subjected to implane tension normal to the notch.

Adams, D. F.↗
NASA NTRS1998

Effect of Measured Welding Residual Stresses on Crack Growth

Welding residual stresses in thin plate A516-70 steel and 2219-T87 aluminum butt weldments were measured by the strain-gage hole drilling and X-ray diffraction methods. The residual stress data were used to construct 3D strain fields which were modeled as thermally induced strains. These 3D strain fields were then analyzed with the WARP31) FEM fracture analysis code in order to predict their effect on fatigue and on fracture. For analyses of fatigue crack advance and subsequent verification testing, fatigue crack growth increments were simulated by successive saw-cuts and incremental loading to generate, as a function of crack length, effects on crack growth of the interaction between residual stresses and load induced stresses. The specimen experimental response was characterized and compared to the WARM linear elastic and elastic-plastic fracture mechanics analysis predictions. To perform the fracture analysis, the plate material's crack tearing resistance was determined by tests of thin plate M(T) specimens. Fracture analyses of these specimen were performed using WARP31D to determine the critical Crack Tip Opening Angle [CTOA] of each material. These critical CTOA values were used to predict crack tearing and fracture in the weldments. To verify the fracture predictions, weldment M(T) specimen were tested in monotonic loading to fracture while characterizing the fracture process.

Hampton, Roy W.↗
NASA NTRS2006

HFGMC Enhancement of MAC/GMC

Additional information about a mathematical model denoted the high-fidelity generalized method of cells (HFGMC) and implementation of the HFGMC within version 4.0 of the MAC/GMC software has become available. MAC/GMC (Micromechanics Analysis Code With Generalized Method of Cells) was a topic of several prior NASA Tech Briefs articles, version 4.0 having been described in "Comprehensive Micromechanics-Analysis Code - Version 4.0" (LEW-17495-1), NASA Tech Briefs, Vol. 29, No. 9 (September 2005), page 54. MAC/GMC predicts elastic and inelastic thermomechanical responses of composite materials. MAC/GMC utilizes the generalized method of cells (GMC) - a model of micromechanics that predicts macroscopic responses of a composite material as functions of the properties, sizes, shapes, and responses of its constituents (e.g., matrix and fibers). The accuracy of the GMC is limited by neglect of coupling between normal and shear stresses. The HFGMC was developed by combining elements of the GMC and a related model, denoted the higher-order theory for functionally graded materials (HOTFGM), that can account for this coupling. Hence, the HFGMC enables simulation of stress and strain with greater accuracy. Some alterations of the MAC/GMC data structure were necessitated by the greater computational complexity of the HFGMC.

Arnold, Steven M.↗
NASA NTRS2019

Verification Benchmarks and Validation of MAT261 for High Energy Dynamic Impact Applications

Advanced computational methods for composite structures can enable smarter testing and potentially certification by analysis. These methods, known as progressive damage and failure analysis (PDFA) methods, can predict lamina level mechanics including failure and subsequent propagation. When introduced into a commercial off the shelf finite element solver such as ABAQUS, LS-DYNA, or ANSYS, it enables end users to effectively exercise PDFA methods; however, it requires an understanding of the assumed mechanics and underlying coded response. In this paper, verification benchmarks developed under the NASA Advanced Composite Consortium for a class of PDFA methods known as continuum damage mechanics approaches are applied to the native LS-DYNA material model MAT261. As a result of the verification, an instability was discovered and subsequently corrected with an engineering solution. The results of the preliminary MAT261 simulations for high energy dynamic impact and the engineering solution are compared and a discussion about the significance is presented.

Molitor, Matthew↗
NASA NTRSDate not supplied

Simulations of Hayabusa2 Atmospheric Entry and Comparisons with Data from the Imaging Campaign

Results from flow and radiation simulations for the Hayabusa2 Sample Return Capsule (SRC) along its best-estimated trajectory (BET) are presented. Flow fields are first computed at several points along the best-estimated trajectory for a freestream consisting of N2, O2, Ar, CO2, and H2O; the last three are trace species in Earth’s atmosphere. The thermal response of an assumed ablative material is estimated and flow fields are recomputed at each time point with modified surface temperature distributions. The spectral radiance, from the combination of an aeroheated capsule and the high-temperature shock layer around it, is computed on an imaging plane for a given view angle and slant range at each time point. The radiance is transported through the intervening atmosphere between the Hayabusa2 SRC and the observing aircraft and upon integration over solid angle representing the field of view of the instruments converted to a spectral irradiance. The spectral irradiance is convolved with the instrument function to obtain results that can be directly compared with measurement. Fair to good comparisons with measurements required shifting the time coordinate of measurements by 7.5 s. The disagreement between prediction and measurement is substantial after about 72.5 s along the BET. Additional computations seem to support the idea of flow transition over the capsule.

Atmospheric entry↗
NASA NTRSDate not supplied

Simulations of Hayabusa2 Atmospheric Entry and Comparisons with Data from the Imaging Campaign

Results from flow and radiation simulations for the Hayabusa2 Sample Return Capsule (SRC) along its best-estimated trajectory (BET) are presented. Flow fields are first computed at several points along the best-estimated trajectory for a freestream consisting of N2, O2, Ar, CO2, and H2O; the last three are trace species in Earth’s atmosphere. The thermal response of an assumed ablative material is estimated and flow fields are recomputed at each time point with modified surface temperature distributions. The spectral radiance, from the combination of an aeroheated capsule and the high-temperature shock layer around it, is computed on an imaging plane for a given view angle and slant range at each time point. The radiance is transported through the intervening atmosphere between the Hayabusa2 SRC and the observing aircraft and upon integration over solid angle representing the field of view of the instruments converted to a spectral irradiance. The spectral irradiance is convolved with the instrument function to obtain results that can be directly compared with measurement. Fair to good comparisons with measurements required shifting the time coordinate of measurements by 7.5 s. The disagreement between prediction and measurement is substantial after about 72.5 s along the BET. Additional computations seem to support the idea of flow transition over the capsule.

Atmospheric entry↗
DOE OSTI2018

Assessment of failure modes of monolithic fuel plates

Monolithic fuel is a fuel form that is considered for the conversion of high performance research reactors. In order to qualify this new fuel system, the fuel plates should meet the safety standards and perform well in reactor. The fuel system must maintain its mechanical integrity, sustain a geometric stability and should have stable and predictable irradiation behavior. The requirement to maintain mechanical integrity under normal operating conditions is primarily demonstrated by a successful testing of fuel plates up to the limiting conditions defined by the fuel performance envelope, including an adequate margin. Although large number of plates have been tested with satisfactory thermo-mechanical performance, post-irradiation examination of plates from previous RERTR-12 experiments have revealed that pillowing occurred in several plates, rendering performance of these plates unacceptable. To address such failures, efforts are underway to define the mechanisms responsible for the in-reactor pillowing, and suggest improvements to the fuel plate design and operational envelope. For this purpose, selected plates from previous experiments were simulated to understand the thermo-mechanical response of the plates to the fission density and thermally induced stresses. Simulation results were then comparatively evaluated with post-irradiation examinations of selected plates. The simulation results and experimental observations established a possible correlation between failure by plate pillowing, high porosity and a presence of tensile stress state. The study has implied that porosity leading to degradation of material properties, accompanied by a sufficiently large tensile stress state can lead to a pillowing-type failure at reactor shutdown. This paper presents these findings, discusses such failure modes, and the influence of fuel burn-up and power on the magnitude of the shutdown-induced tensile stresses.

42 ENGINEERING↗
DOE OSTI2019

On the origin of ‘fuzz’ formation in plasma-facing materials

Tungsten, the material used in the plasma-facing components (PFCs) of nuclear fusion reactors, develops a fuzz-like surface morphology under typical reactor operating conditions. This fragile 'fuzz' surface nanostructure adversely affects reactor performance and operation. Developing predictive models, capable of simulating the spatiotemporal scales relevant to the fuzz formation process is essential for understanding the growth of such extremely complex surface features and improving PFC and reactor performance. Here, we report the development of an atomistically-informed, continuous-domain model for the onset of fuzz formation in helium plasma-irradiated tungsten and validate the model by comparing its predictions with measurements from carefully designed experiments. Our study demonstrates that fuzz forms in response to stress induced in the near-surface region of PFCs as a result of plasma exposure and helium gas implantation. In conclusion, our model sets the stage for detailed descriptions of this complex fuzz formation phenomenon and similar phenomena observed in other materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Impact Modeling and Testing of Pouch and Prismatic Cells

Understanding battery response under impact is critical to improve the safety of electrified vehicles. Nevertheless, predicting the impact behaviors of batteries is not straightforward since a battery cell usually contains hundreds of thin layers with dramatically different material properties and multiple physical processes occur simultaneously during cell deformation. Here we utilized both empirical tests and numerical models to capture the failure process of pouch and prismatic cells in various impact scenarios. In each test, a cell was hit once by an indenter dropped from a certain height. During which the cell penetration, loading force, voltage and temperature were monitored to characterize the cell’s response. Meanwhile, numerical models were developed to capture the coupled mechanical, electrical, electrochemical and thermal responses of batteries. In these models, the cell bulk was treated as a homogeneous part to achieve computational efficiency required by large-scale simulations, and it was represented by the geologic cap model that allows both shear and compaction deformation. Simulation results showed agreement with experimental data in essential features of cell behaviors during impact. Details of the test setup, model development and cell failure behaviors are presented in this paper. Additionally, capabilities, limitations and future improvement of the battery safety modeling are discussed.

25 ENERGY STORAGE↗
DOE OSTI2021

Investigation of UV, ns-laser damage resistance of hafnia films produced by electron beam evaporation and ion beam sputtering deposition methods

Laser-induced damage in coating materials with a high index of refraction, such as hafnia, limits the performance of high power and high energy laser systems. Understanding the underlying physics responsible for laser damage holds the key for developing damage-resistant optical films. Previous studies have reported a substantial difference in laser damage onset for hafnia films produced by different deposition methods, yet the underlying mechanisms for the observed difference remain elusive. We combined laser damage testing with analytical characterizations and theoretical simulations to investigate the response of hafnia films produced by electron (e-) beam evaporation vs ion beam sputtering (IBS) methods upon UV ns-laser exposure. We found that e-beam produced hafnia films were overall more damage resistant; in addition, we observed a polarization anisotropy associated with the onset of damage in the e-beam films, while this effect was absent in the latter films. The observed differences can be attributed to the stark contrast in the pressure inside the pores inherent in both films. The high pressure inside the IBS-induced nanobubbles has been shown to reduce the threshold for laser-induced plasma breakdown leading to film damage. The polarization effects in the e-beam coatings can be related to the asymmetric electric field intensification induced by the columnar void structure. Our findings provide a fundamental basis for developing strategies to produce laser damage-resistant coatings for UV pulsed laser applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Heat pump water heater enhanced with phase change materials thermal energy storage: Modeling study

A promising solution to improve the first hour rating (FHR) of a heat pump water heater (HPWH) involves employing a secondary tank which contains phase change material (PCM) capsules. To better understand the influence of PCM thermal storage on the HPWH operational performance, a dynamic model was developed to simulate and analyze the behavior of a newly developed HPWH technology that incorporates PCM storage into a standard HPWH to optimize key parameters such as the uniform energy factor and FHR. Mathematical models of several key components of the proposed HPWH-PCM integrated thermal energy storage (TES) system, e.g., water heater tank, PCM TES tank, evaporator, compressor, and expansion valve, have been elaborated. Also, a model-based control co-simulation platform was developed to integrate a embed PCM storage HPWH dynamic model with a control model for better supporting control design, analysis, verification, and validation. The model accuracy has been validated through comparing simulation results with lab test results, with a mean average percentage error of <5.5% for most of the selected performance variables. In addition, using the developed co-simulation platform, the demand response control strategy was studied to evaluate the load flexibility of the combined HPWH-PCM storage system by shifting system power usage to outside of the 3.5 h peak load period.

25 ENERGY STORAGE↗
DOE OSTI2017

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated to optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Carbon Dioxide Absorption Modeling for Off-Gas Treatment in the Nuclear Fuel Cycle

The absorption of carbon dioxide is an important process in many practical applications such as reduction of greenhouse gases, separation and purification processes in the chemical and petroleum industries, and capture of radioactive isotopes in the nuclear fuel cycle The goal of this research is to develop a dynamic model to simulate CO 2 absorption by using different alkanolamines as absorption solvents. The model is based upon transient mass and energy balances for the chemical species commonly present in CO 2 gas-liquid absorption. A computer code has been written to implement the proposed model. Simulation results are discussed. The reported model simulates well the response to dynamic changes in input conditions. The proposed model can be used to optimize and control the separation of carbon-14 in the form of CO 2 in the nuclear industry.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Consequence Analysis for Used Fuel Extended Storage: Density-based SFR Modeling Refinement [Slides]

ALE3D has been used to simulate a copper jet impacting a spent fuel pellet. The ultimate goal of these simulations is to determine the respirable fraction of particulates produced by the interaction. This is related to the change in energy density in the fuel pellet. A series of simplified simulations has been performed in order to better understand the differences in the modeling approaches between ALE3D and CTH. The effect of density variation on the energy response of the fuel has been studied.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2022

Premature Deaths in Africa Due to Particulate Matter Under High and Low Warming Scenarios

Sustainable development and climate change mitigation can provide enormous public health benefits via improved air quality, especially in polluted areas. We use the latest state-of-the-art composition-climate model simulations to contrast human exposure to fine particulate matter in Africa under a “baseline” scenario with high material consumption, population growth, and warming to that projected under a sustainability scenario with lower consumption, population growth, and warming. Evaluating the mortality impacts of these exposures, we find that under the low warming scenario annual premature deaths due to PM2.5 are reduced by roughly 515,000 by 2050 relative to the high warming scenario (100,000, 175,000, 55,000, 140,000, and 45,000 in Northern, West, Central, East, and Southern Africa, respectively). This reduction rises to ∼800,000 by the 2090s, though by that time much of the difference is attributable to the projected differences in population. By contrast, during the first half of the century benefits are driven predominantly by emissions changes. Depending on the region, we find large intermodel spreads of ∼25%–50% in projected future exposures owing to different physics across the ensemble of 6 global models. The spread of projected deaths attributable to exposure to fine particulate matter, including uncertainty in the exposure-response function, are reduced in every region to ∼20%–35% by the non-linear exposure-response function. Differences between the scenarios have an even narrower spread of ∼5%–25% and are highly statistically significant in all regions for all models. These results provide valuable information for policy-makers to consider when working toward climate change mitigation and sustainable development goals.

PM2.5↗
DOE OSTI2015

Understanding materials microstructure and behavior at the mesoscale

Taking the mesoscale to mean length and time scales at which a material’s behavior is too complex to be understood by construction from the atomistic scale, we focus on three-dimensional characterization and modeling of mesoscale responses of polycrystals to thermal and mechanical loading. Both elastic and plastic internal structural responses are now accessible via high-energy x-ray probes. The combination of diffraction experiments and computed tomography, for example, is yielding new insights into how void formation correlates with microstructural features such as grain boundaries and higher-order junctions. The resulting large, combined data sets allow for validation of micromechanical and thermal simulations. As detectors improve in resolution, quantum efficiency, and speed of readout, data rates and data volumes present computational challenges. Spatial resolutions approach one micrometer, while data sets span a cubic millimeter. Examples are given of applications to tensile deformation of copper, grain growth in nickel and titanium, and fatigue cracks in superalloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A materials data framework and dataset for elastomeric foam impact mitigating materials

The availability of materials data for impact-mitigating materials has lagged behind applications-based data. For example, data describing on-field helmeted impacts are available, whereas material behaviors for the constituent impact-mitigating materials used in helmet designs lack open datasets. Here, we describe a new FAIR (findable, accessible, interoperable, reusable) data framework with structural and mechanical response data for one example elastic impact protection foam. The continuum-scale behavior of foams emerges from the interplay of polymer properties, internal gas, and geometric structure. This behavior is rate and temperature sensitive, therefore, describing structure-property characteristics requires data collected across several types of instruments. Data included are from structure imaging via micro-computed tomography, finite deformation mechanical measurements from universal test systems with full-field displacement and strain, and visco-thermo-elastic properties from dynamic mechanical analysis. These data facilitate modeling and design efforts in foam mechanics, e.g., homogenization, direct numerical simulation, or phenomenological fitting. The data framework is implemented using data services and software from the Materials Data Facility of the Center for Hierarchical Materials Design.

36 MATERIALS SCIENCE↗