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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Natural and Accelerated Evolution of EVA Adhesion Through Intermediate Exposures

Ethylene vinyl acetate (EVA) encapsulants comprise the majority of the encapsulants currently in use; much work has been done to understand and model the adhesive characteristics of EVA-encapsulated modules, but limited work has provided reliable insight into adhesion during the intermediate stages of exposure, limiting the ability to validate model predictions in this range. We provide the adhesion energy measurements for EVA adhesion after nearly six years of field aging and 10 000 h of accelerated aging. Both field and accelerated aging reveal a distinct plateau that emerges during the intermediate exposure periods (after one year in the field and after 1000 h in a chamber). At 10 000 h, adhesion within accelerated aged minimodules falls to a level generally seen after long-term field exposures (>15 years). Previous modeling predicted that adhesion would steadily decrease over the lifetime of a module, but these current results uncover an intermediate plateauing trend that is important to accurately modeling the evolution of adhesion and predicting adhesive failure. Based on these findings, three key model refinements concerning the rate of UV-radical formation and subsequent β-scission, the rate and acceleration of hydrolytic depolymerization, and the profile of the plasticity contribution over time are implemented and discussed.

14 SOLAR ENERGY↗
DOE OSTI2024

RAIS Slope Factors for Radionuclides

For a given radionuclide, Slope Factors (SFs) represent the ELCR equivalent per unit intake (i.e., ingestion or inhalation) or external exposure of that radionuclide. These SFs are used to convert a radionuclide concentration in soil, air, water, or foodstuffs to a radiation ELCR. The primary use of SFs, also called risk coefficients, is to compute the ELCR resulting from site-related exposures. This is accomplished by multiplying the route-specific SF by the CDI of each radionuclide of potential concern for each route of exposure. Ingestion and inhalation slope factors are central estimates in a linear model of the age-averaged, lifetime attributable radiation cancer incidence (fatal and nonfatal cancer) risk per unit of activity inhaled or ingested, expressed as risk/picocurie (pCi). External exposure SFs are central estimates of lifetime attributable radiation cancer incidence risk for each year of exposure to external radiation from photon-emitting radionuclides distributed uniformly in a thick layer of soil, expressed as risk/year per pCi/gram soil. External exposure SF units can also be risk/year per pCi/square centimeters (cm2) of soil. When combined with site-specific media concentration data and appropriate exposure assumptions, SFs can be used to estimate lifetime cancer risks to members of the general population due to radionuclide exposures. The SFs presented on are updated values from Federal Guidance Report (FGR) 13 supplement using the International Commission on Radiological Protection (ICRP) 107 decay data. The derivation and values are found in “Calculations of Slope Factors and Dose Coefficients” (ORNL, 2014).

Noto, Katie [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2021

Perspectives of Open-Air Processing to Enable Perovskite Solar Cell Manufacturing

We report high throughput open-air processing techniques for the scalable production of all device and barrier layers for perovskite photovoltaics (PV). This work discusses and resolves some of the most formidable barriers to module-level scaling that the perovskite community has been facing. Our advanced technoeconomic manufacturing analysis indicates that vacuum-based processes with high capital expenditures (CapEx) and low throughputs dominate the cost of production. Open-air fabrication methods offer low CapEx routes to manufacturing, but achieving reproducibility in ambient conditions with varying relative humidity has been a persistent challenge. The use of rapid processing methods with plasma curing to convert films from the solution-state enables reproducibility, moisture immunity, and the highest perovskite PV efficiency produced in open-air. These methods are readily translatable to in-line processing where layers are sequentially deposited without the need for lengthy post-annealing steps that reduce throughput and involve additional equipment. Significant progress is demonstrated in reduced manufacturing costs as perovskites contend as a commercially viable next-generation thin film PV technology.

14 SOLAR ENERGY↗
DOE OSTI2026

Feedback, physics, and forecasts: The emerging paradigm of machine learning-driven battery research

Machine learning (ML) is reshaping how we understand, predict, and optimize electrochemical systems. In batteries, ML accelerates discovery across chemistry, design, and operation by transforming massive experimental and simulated datasets into predictive, interpretable models. This review consolidates a decade of progress in ML-driven battery innovation, from early-cycle feature extraction to operando image analysis and physics-informed modeling. We categorize approaches by data domain and physical fidelity, emphasizing interpretable ML for diagnostics, reinforcement learning for control, and multi-objective optimization for lifetime extension strategies. Additionally, we demonstrate how integrated models accelerate discovery, reduce testing time, and guide sustainable design. Economic analyses furthermore illustrate how these advances can lower cost per cycle and improve circularity. Together, these developments chart a path toward self-optimizing, sustainable battery technologies.

artificial intelligence↗
DOE OSTI2023

Predicting the creep-rupture lifetime of a cast austenitic stainless steel using Larson-Miller and Wilshire parametric approaches

An experimental dataset of just over 100 creep tests of a cast austenitic stainless steel, CF8C-Plus, was analyzed by two temperature-compensated parametric models (Larson-Miller, Wilshire et al.) to predict long-term lifetimes as functions of temperature and stress. The dataset and associated regression analyses showed greater scatter than typically found in recent similar studies of wrought Ni-based alloys by the same two models and was attributed to the microstructural inhomogeneity of the cast stainless steel. Qualitatively, the Larson-Miller formalism showed greater lifetime prediction accuracy than the Wilshire approach, with the latter model's predictive ability being particularly degraded by the presence of two very significant outlier results. This observation suggests that the Larson-Miller approach is more robust when treating rupture-time datasets that show particularly wide experimental scatter. Despite the differences in the overall predictive ability, both models yielded similar predictions of the applied stress at which CF8C-Plus would have a creep-limited lifetime of 100,000 h when loaded below the yield point.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Power Electronics Materials and Bonded Interfaces - Reliability and Lifetime

Wide-bandgap devices have pushed the operational limit of semiconductor devices in automotive power electronics packages to higher temperatures (>200 C). While a higher efficiency can be achieved through the use of wide-bandgap devices, the entire package must be re-designed with components that can withstand the higher temperature limits. Sintered silver and transient liquid phase bonds are potential candidates as bonded materials for use in higher temperatures however, the underlying mechanics of deformation under thermal loads and the resulting failure mechanisms in these materials are not well understood. Accelerated experiments conducted at NREL reveal that high-lead solder joints have better reliability than sintered silver under extreme thermal cycling conditions. Furthermore, efforts to develop a crack propagation model for the high-temperature materials are described.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

A comprehensive review of proppant embedment in shale reservoirs: Experimentation, modeling and future prospects

This paper provides a comprehensive review on the application of proppants to maintain fracture permeability over the lifetime of a well based on published observations from experiments and modeling. The review identifies and describes important processes occurring during proppant embedment, during hydraulic fracturing, laboratory testing of fracture conductivity, proppant embedment and modeling of proppant embedment. Lastly, this paper identifies the challenges and knowledge gaps that also provide future avenues of research and opportunities for collaborative technological development which requires an interdisciplinary approach of science, engineering in academia, government, and private sector.

03 NATURAL GAS↗
DOE OSTI2022

Characterization and Modeling of Deformation Induced Damage in Titanium Alloys

Over the lifetime of their DOE support, and specifically during the past funding cycle, the PIs have primarily focused on ambient temperature studies of the mechanisms of heterogeneous deformation and shear transfer at GBs. The PIs have developed and applied a broad array of experimental approaches complemented by advanced computational methods and simulations to enable new understanding of GB shear transfer, and a new approach for modeling this behavior at the mechanistic level has been established. The PIs have examined how slip behavior differs on the surface and interior of polycrystals using a variety of approaches. Some of the associated data has been used to generate 3-D models of experimentally-characterized microstructures that both support interpretation of deformation mechanisms as well as reveal where modeling needs to be improved to more closely agree with what is experimentally observed. The PIs progress in constitutive modeling of crystal plasticity has introduced explicit GB resistance to shear that depends on the mutual geometry of active slip systems. This past work places the PIs in a good position to take on the challenges associated with mechanistically understanding the interplay between GBS and slip interactions.

42 ENGINEERING↗
DOE OSTI2021

Quantifying Bulk and Surface Recombination in CdTe Solar Cells Using Time-Resolved Terahertz Spectroscopy

Understanding the nature of recombination mechanisms is essential for higher power conversion efficiency in photovoltaic (PV) devices. Here we use a combination of time-resolved terahertz spectroscopy and numerical modeling to determine the bulk Shockley-Read-Hall lifetime and interface and back surface recombination velocities in CdTe thin film stacks. Furthermore, the measurement was facilitated by fabricating wire-grid device structures using conventional laser scribing. Evaluation of a glass/FTO/SnO2/CdS/CdTe stack treated with CdCl2 allowed separation of the CdTe absorber bulk lifetime, 1.6 ns, from the back surface recombination velocity, ~6x10 4 cm/s, and indicated that CdTe/CdS interface recombination velocity had no significant impact on carrier dynamics.

14 SOLAR ENERGY↗
DOE OSTI2021

An underestimated negative cloud feedback from cloud lifetime changes

As the atmosphere warms, part of the cloud population shifts from ice and mixed phase (“cold”) to liquid (“warm”) clouds. Because warm clouds are more reflective and longerlived, this phase change reduces the solar flux absorbed by Earth and constitutes a negative radiative feedback. This cooling feedback is weaker in CMIP6 than in CMIP5, contributing to greater greenhouse warming. While this change is often attributed to improvements in simulated cloud phase, another model bias persists: warm clouds precipitate too readily, potentially leading to underestimated negative lifetime feedbacks. In this work, we modify a climate model to better simulate warm rain probability and find it exhibits a cloud lifetime feedback nearly three times larger than the default model. This suggests model errors in cloud-precipitation processes may bias cloud feedbacks as much as CMIP5–CMIP6 climate sensitivity differences. Reliable climate model projections therefore require improved cloud process realism guided by process-oriented observations and observational constraints.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Giant spin transport anisotropy in magnetic topological insulators

Here, we report on exceptionally long spin transport and giant spin lifetime anisotropy in the gapped surface states of three-dimensional (3D) magnetic topological insulators (MTIs). We examine the properties of these states using the three-dimensional Fu-Kane-Mele Hamiltonian model in the presence of a magnetic exchange field. The corresponding spin textures of surface states, which are well reproduced by an effective two-band model, hint at a considerable enhancement of the lifetime of out-of-plane spins compared to in-plane spins. This is confirmed by large-scale spin transport simulations for 3D MTIs with disorder. The energy dependence of the spin lifetime anisotropy arises directly from the nontrivial spin texture of the surface states, and is correlated with the onset of the quantum anomalous Hall phase. Our findings suggest different spin filtering capabilities of the gapped surface MTI states, which could be explored by nonlocal spin valve measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spatiotemporal Modeling of Real World Backsheets Field Survey Data: Hierarchical (Multilevel) Generalized Additive Models

Assessing photovoltaic module backsheet durability is critical to increasing module lifetime. Laboratory-based accelerating testing has recently failed to predict large scale failures of widely adopted polymeric materials. Additionally, there is a growing concern on characterizing the non-uniformity of field exposure. Therefore, data from field surveys are critical to assess the performance of component lifetimes. Using a documented field survey protocol, 19 field surveys were conducted. The focus of this survey strategy is to investigate spatial continuity in degradation modes. By combining field survey data with real-time satellite weather data, stressor / response models have been trained. Generalized additive Models (GAM) model was created to predict the value of degradation based on measured predictors. Two different GAM constructions were testing using different implementations of basis splines. The model includes variables on the environmental stressors of the system and the location of each measurement in the PV mounting structure. The incorporation of hierarchical structure into the models allowed for material specific degradation rates, while maintaining the assumption of a global trend. The model performed well with an adjusted R2 of 0.975 for yellowness index prediction.

backsheet↗
DOE OSTI2024

PVDeg: Development of a Streamlined Tool for PV Degradation Modeling

The photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 to 50 years. research efforts aim to achieve this while keeping performance degradation at a minimum for decades. This puts considerable pressure on improving the accuracy of long-term durability and reliability assessments. There is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. The tool will simplify many of the routine computational operations that are common to many degradation studies. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. This repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors.

degradation↗
DOE OSTI2023

Industry Facing PV Degradation Prediction Tool and Database to Enable a 50-Year Life Module

The Photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 years. Furthermore, research efforts aim for up to 50 years of service life while keeping performance degradation at a minimum for decades of outdoor weathering - putting additional pressure on improving the accuracy of long-term durability and reliability assessments. Here there is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. A graphical user interface will aid in the understanding of the results. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. We use an integration pipeline approach that allows us to leverage weather data from the National Solar Radiation Database to perform geospatial degradation analysis in the US and worldwide. Our repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors. We hope to become a repository that can be used for weathering and degradation analysis for various applications beyond the PV industry.

degradation↗
DOE OSTI2022

Electric fields and substrates dramatically accelerate spin relaxation in graphene

Electrons in graphene are theoretically expected to retain spin states much longer than most materials, making graphene a promising platform for spintronics and quantum information technologies. Here, in this work, we use first-principles density-matrix (FPDM) dynamics simulations to show that interaction with electric fields and substrates strongly enhances spin relaxation through scattering with phonons. Consequently, the relaxation time at room temperature reduces from microseconds in free-standing graphene to nanoseconds in graphene on the hexagonal boron nitride (hBN) substrate, which is the order of magnitude typically measured in experiments. Further, inversion symmetry breaking by hBN introduces a stronger asymmetry in electron and hole spin lifetimes than predicted by the conventional D'yakonov-Perel' (DP) model for spin relaxation. Deviations from the conventional DP model are stronger for in-plane spin relaxation, resulting in out-of-plane to in-plane lifetime ratios much greater than 1/2 with a maximum close to the Dirac point. These FPDM results, independent of symmetry-specific assumptions or material-dependent parameters, also validate recent modifications of the DP model to explain such deviations. Overall, our results indicate that spin-phonon relaxation in the presence of substrates may be more important in graphene than typically assumed, requiring consideration for graphene-based spin technologies at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Agent-Based Modeling for the Circular Economy: Lessons Learned From Three Case Studies

The circular economy (CE) aims at decoupling human activities from resource use, creating wealth in the process. Recently, many scholars have questioned the link between increased circularity and sustainability, resulting in many methodological approaches being developed for that purpose. This presentation summarizes the insights gained from the application of agent-based modeling (ABM) to study the techno-economic and social conditions promoting circularity and sustainability of three technologies: photovoltaic (PV) modules, hard disk drives (HDDs), and wind blades. Four main categories of agents are defined in the ABM: asset owners, service providers (e.g., refurbishers), recyclers, and manufacturers. Two main CE strategies are represented: lifetime extension (through repair or reuse) and recycling. The developed models start by projecting installed capacities and end-of-life (EOL) quantities. Then the theory of planned behavior - a social psychology model explaining behavior adoption based on attitude, peer influence, and costs - is used to model the asset owners' EOL decision (i.e., landfill, recycle or extend the lifetime of the asset). Then, the quantities of assets flowing to the recycler and service provider agents and quantities of materials flowing to manufacturers are computed. Recyclers' economies of scale are dynamically modeled, and the value generated by the CE strategies for the recyclers, service providers, and manufacturers is computed within the model. When data are available, avoided greenhouse gas emissions resulting from the CE strategies adoption are calculated exogenously from the ABM simulations. Results show that with improved used PV modules warranties, the reuse CE strategy adoption increases from 1% to 23% between 2020 and 2050. Similarly, improved standards could enhance HDDs end-users trust in data-wiping - a prerequisite to reuse - leading to a 3-fold increase in the reuse rate and avoid about 5 million tons of CO2 eq by 2050. Regarding wind blades, 5-15 years lifetime extension could reduce EOL blade quantities by 13%. High costs and logistic issues prevent blades from being recycled in greater quantities. One insight from the case studies is the necessity to have mature secondary markets for reuse to be a viable option. Interestingly, PV reuse is limited by the willingness of PV owners to purchase used modules (on the demand side), while HDDs reuse is constrained by the lack of trust toward data-wiping (limiting the supply of used HDDs). The six limits of the CE concepts presented by Korhonen et al. (2018) are finally used to interpret the results. The HDD case study is an exemplary lock-in, where the first accepted practice (shredding) retains most of the market. The PV results illustrate the technical limitation to reuse, as the growing demand cannot be supplied entirely with used PV modules. The wind case study shows the relevance of clearly defining physical flows - what type of waste should wind blades be considered, how should they be transported and landfilled? - a crucial consideration that also applies to PV modules. Finally, the three case studies highlight the relevance of studying a technology's technical, economic, and market material efficiency potentials altogether and the potential benefit of coupling ABM to life cycle assessment.

agent-based modeling↗
DOE OSTI2021

Simulation and Modeling of Time-Resolved X-Ray Detector for the Saturn Accelerator

In this work, we present the technology-aided computer design (TCAD) device simulation and modeling of a silicon p-i-n diode for detecting time-dependent X-ray radiation. We show that the simulated forward and reverse breakdown current–voltage characteristics agree well with the measured data under nonradiation environment by only calibrating carrier lifetimes for the forward bias case and avalanche model critical fields for the reverse bias condition. Using the calibrated parameters and other nominal material properties, we simulated the radiation responses of the p-i-n diode and compared with experimental data when the diode was exposed to X-ray radiation at Sandia’s Saturn facility and the Idaho State University (ISU) TriMeV facility. For Saturn’s Gaussian dose-rate pulses, we show three findings from TCAD simulations. First, the simulated photocurrents are in excellent agreement with the measured data for two dose-rate pulses with peak values of 1.16×10 10 and 1.88×10 10 rad(Si)/s. Second, the simulation results of high dose-rate pulses predict increased delayed photocurrents with longer time tails in the diode electrical responses due to excess carrier generation. Third, simulated peak values of diode radiation responses versus peak dose rates at different bias conditions provide useful guidance to determine the dose-rate range that the p-i-n diode can reliably detect in experiment. For TriMeV’s non-Gaussian dose-rate pulse, our simulated diode response is in decent agreement with the measured data without further calibration. We also studied the effects of device geometry, recombination process, and dose-rate enhancement via TCAD simulations to understand the higher measured response in the time after the peak dose-rate radiation for the p-i-n diode exposed to TriMeV irradiation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Modeling of tungsten filament in gas discharge in H - ion source

Sources of negative ions such as H - are essential elements of proton accelerators and tokamaks. They have limited lifetime. The replacement of an ion source is a costly process causing delays in the operation of the entire machine. The hot tungsten filament is the key element that limits the lifetime of the H - ion source at the Los Alamos Neutron Science Center (LANSCE) facility. An accurate model, which describes the filament physics and provides a reliable estimate on its lifetime, may significantly improve the operation of the facility. In this report we describe such a model, including a comprehensive list of relevant physical processes from first principles. The model can be used to describe different regimes of operation using diagnostics data as input parameters. It has been benchmarked against the data collected during the production cycle at LANSCE and shows good agreement with experimental data.

47 OTHER INSTRUMENTATION↗