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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 OSTI2025

Modeling and verification of dynamic field ionization for laser-target interactions

Integrating field ionization models into kinetic plasma simulations is required for a variety of applications, especially when field strengths vary from low to high regimes, such as in laser-target interactions. The introduction of new physics models into kinetic codes requires a rigorous verification of their accuracy through well-defined verification problems. In this work, the field ionization model that has been included in the kinetic plasma code VPIC is presented, along with the detailed approach adopted for its integration. This model includes a comprehensive range of field ionization mechanisms: multiphoton ionization, tunneling ionization, and barrier suppression ionization. New verification problems employed to evaluate the ionization model's fidelity are outlined, and the simulation parameters that affect the accuracy of simulation results are explored. Additionally, this work addresses the impact of field ionization on computational performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Risk-Informed Applications and Science – Past, Present, & Future

This is a presentation to be made at the University of Tokyo. The Idaho National Laboratory is creating the next-generation reliability- and risk-assessment methods and tools that support risk-informed decision-making by combining physics-based models with probabilistic quantification approaches. Integrating these two worlds of physics and probability using a simulation framework leads us to predictions based upon an approach called “computational risk assessment” which will serve as the technical basis for the future of reliability and risk approaches. The driving factors for this new approach includes: temporal (timing issues), spatial (location issues), mechanistic (physics issues), and topological (complexity issues). By combining phenomenology directly with stochastic quantification, we are able to perform advanced uncertainty analysis directly on both parameters and models. In addition, new tools allow for the creation of reduced order models that mimic high-fidelity engineering models while still permitting the realization of thousands of simulation iterations in short run-times on current workstation-class computers. While these advanced methods and tools can provide increased realism in our engineering safety and risk approaches, their greater benefit is to provide a risk-informed engineering framework for design and operation. This talk will briefly review the history of risk assessment and risk-informed applications, describe some of the current research and development found at the Idaho National Laboratory, and discuss potential future applications and approaches for advanced methods and tools.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2021

Climate Change Impacts and Adaptation for Dryland Farming Systems in Zimbabwe: A Stakeholder-Driven Integrated Multi-Model Assessment

Decision makers need accurate information to address climate variability and change and accelerate transformation to sustainability. A stakeholder-driven, science-based multi-model approach has been developed and used by the Agricultural Model Intercomparison and Improvement Project (AgMIP) to generate actionable information for adaptation planning processes. For a range of mid-century climate projections—likely to be hotter, drier, and more variable—contrasting future socio-economic scenarios (Representative Agricultural Pathways, RAPs) were co-developed with stakeholders to portray a sustainable development scenario and a rapid economic growth pathway. The unique characteristic of this application is the integration of a multi-modeling approach with stakeholder engagement to co-develop scenarios and adaptation strategies. Distribution of outcomes were simulated with climate, crop, livestock, and economic impact assessment models for smallholder crop livestock farmers in a typical dryland agro-ecological zone in Zimbabwe, characterized by low and erratic rainfall and nutrient depleted soils. Results showed that in Nkayi District, Western Zimbabwe, climate change would threaten most of the farms, and, in particular, those with large cattle herds due to feed shortages. Adaptation strategies that showed the most promise included diversification using legume production, soil fertility improvement, and investment in conducive market environments. The switch to more legumes in the farming systems reduced the vulnerability of the very poor as well as the more resourced farmers. Overall, the sustainable development scenario consistently addressed institutional failures and motivated productivity-enhancing, environmentally sound technologies and inclusive development approaches. This yielded more favorable outcomes than investment in quick economic wins from commercializing agriculture.

Climate change adaptation↗
DOE OSTI2021

OC6 Phase II: Integration and verification of a new soil–structure interaction model for offshore wind design

Abstract This paper provides a summary of the work done within the OC6 Phase II project, which was focused on the implementation and verification of an advanced soil–structure interaction model for offshore wind system design and analysis. The soil–structure interaction model comes from the REDWIN project and uses an elastoplastic, macroelement model with kinematic hardening, which captures the stiffness and damping characteristics of offshore wind foundations more accurately than more traditional and simplified soil–structure interaction modeling approaches. Participants in the OC6 project integrated this macroelement capability to coupled aero‐hydro‐servo‐elastic offshore wind turbine modeling tools and verified the implementation by comparing simulation results across the modeling tools for an example monopile design. The simulation results were also compared to more traditional soil–structure interaction modeling approaches like apparent fixity, coupled springs, and distributed springs models. The macroelement approach resulted in smaller overall loading in the system due to both shifts in the system frequencies and increased energy dissipation. No validation work was performed, but the macroelement approach has shown increased accuracy within the REDWIN project, resulting in decreased uncertainty in the design. For the monopile design investigated here, that implies a less conservative and thus more cost‐effective offshore wind design.

17 WIND ENERGY↗
DOE OSTI2024

Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation

High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale computational resources present a significant bottleneck. Furthermore, examples of large-scale computational discovery carried through experimental validation remain scarce, especially for materials with product applicability. In this paper, we demonstrate how this vision became reality by first combining state-of-the-art artificial intelligence (AI) models and traditional physics-based models on cloud high performance computing (HPC) resources to quickly navigate through more than 32 million candidates and predict around half a million potentially stable materials. Focusing on solid-state electrolytes for battery applications, our discovery pipeline further identified 18 promising candidates with new compositions and rediscovered a decade’s worth of collective knowledge in the field as a byproduct. By employing around one thousand virtual machines in the cloud, this process took less than 80 hours. We then synthesized and experimentally characterized the structures and conductivities of our top candidates, the Na x Li 3-x YCl 6 (0.5 ≤ x ≤ 2.5) series, demonstrating the potential of these compounds to serve as solid electrolytes. Additional candidate materials are currently under experimental investigation that could offer more examples of the computational discovery of new phases of Li- and Na-conducting solid electrolytes. We believe this unprecedented approach of synergistically integrating AI models and cloud HPC not only accelerates materials discovery but also showcases the potency of AI-guided experimentation in unlocking transformative scientific breakthroughs with real-world applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Accelerating nuclear fuel development and qualification: Modeling and simulation integrated with separate-effects testing

In this work, an approach to transform and accelerate nuclear fuel development and qualification is outlined. The approach exploits advanced modeling and simulation at the outset to inform constituent and system selection and to enable integral fuel performance analyses. Analyses using these tools identify and prioritize the most important fuel performance parameters and phenomena for subsequent targeted characterization with separate-effects tests. Separate-effects testing spans out-of-pile and in-pile tests and is meant to iterate with and inform engineering-scale integral fuel performance analyses throughout the development process. Exercising this cycle in an agile fashion will increase confidence in the integral fuel performance predictions while reducing uncertainties. This process sets the stage for executing a much more limited set of well-defined integral irradiation tests designed to validate engineering-scale fuel performance codes and to confirm the performance and safety of the fuel system under prototypic conditions. This approach will reduce the time for development and qualification of a new fuel system, and it will also reduce associated costs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A data-driven multiscale model for reactive wetting simulations

Here, we describe a data-driven, multiscale technique to model reactive wetting of a silver–aluminum alloy on a Kovar™ (Fe-Ni-Co alloy) surface. We employ molecular dynamics simulations to elucidate the dependence of surface tension and wetting angle on the drop’s composition and temperature. A design of computational experiments is used to efficiently generate training data of surface tension and wetting angle from a limited number of molecular dynamics simulations. The simulation results are used to parameterize models of the material’s wetting properties and compute the uncertainty in the models due to limited data. The data-driven models are incorporated into an engineering-scale (continuum) model of a silver–aluminum sessile drop on a Kovar™ substrate. Model predictions of the wetting angle are compared with experiments of pure silver spreading on Kovar™ to quantify the model-form errors introduced by the limited training data versus the simplifications inherent in the molecular dynamics simulations. The paper presents innovations in the determination of “convergence” of noisy MD simulations before they are used to extract the wetting angle and surface tension, and the construction of their models which approximate physio-chemical processes that are left unresolved by the engineering-scale model. Together, these constitute a multiscale approach that integrates molecular-scale information into continuum scale models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Integrating multimodal data through interpretable heterogeneous ensembles

Motivation: Integrating multimodal data represents an effective approach to predicting biomedical characteristics, such as protein functions and disease outcomes. However, existing data integration approaches do not sufficiently address the heterogeneous semantics of multimodal data. In particular, early and intermediate approaches that rely on a uniform integrated representation reinforce the consensus among the modalities but may lose exclusive local information. The alternative late integration approach that can address this challenge has not been systematically studied for biomedical problems. Results: We propose Ensemble Integration (EI) as a novel systematic implementation of the late integration approach. EI infers local predictive models from the individual data modalities using appropriate algorithms and uses heterogeneous ensemble algorithms to integrate these local models into a global predictive model. We also propose a novel interpretation method for EI models. We tested EI on the problems of predicting protein function from multimodal STRING data and mortality due to coronavirus disease 2019 (COVID-19) from multimodal data in electronic health records. We found that EI accomplished its goal of producing significantly more accurate predictions than each individual modality. It also performed better than several established early integration methods for each of these problems. The interpretation of a representative EI model for COVID-19 mortality prediction identified several disease-relevant features, such as laboratory test (blood urea nitrogen and calcium) and vital sign measurements (minimum oxygen saturation) and demographics (age). These results demonstrated the effectiveness of the EI framework for biomedical data integration and predictive modeling.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Overview of MSFC AMSD Integrated Modeling and Analysis

Structural, thermal, dynamic, and optical models of the NGST AMSD mirror assemblies are being finalized and integrated for predicting cryogenic vacuum test performance of the developing designs. Analyzers in use by the MSFC Modeling and Analysis Team are identified, with overview of approach to integrate simulated effects. Guidelines to verify the individual models and calibration cases for comparison with the vendors' analyses are presented. In addition, baseline and proposed additional scenarios for the cryogenic vacuum testing are briefly described.

Cummings, Ramona↗
DOE OSTI2022

Techno-Economic Optimization of the SurgeWEC Device

This is the post-access report for a Teamer-funded effort to optimize the SurgeWEC device, a near-shore pivoting flap wave energy conversion device used to desalinate water. Parametrically driven cost and performance models enabled an integrated optimization approach at the farm scale. The metric used for this study was the levelized cost of water (LCOW). The data-set includes: 1. A public-domain post access report 2. An excel file with the data and plots generated under this study

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Optimizing Carbon Capture, Transport, and Storage: Overcoming Challenges with Machine Learning and Cost-Benefit Analysis

Carbon Capture, Utilization, and Storage (CCUS) is a critical strategy for reducing CO₂ emissions and mitigating climate change. However, its widespread deployment faces numerous challenges across the capture, transport, and storage phases. These challenges include the technical complexity of predicting subsurface behaviors during CO₂ injection, ensuring long-term storage integrity, optimizing transportation networks, and balancing the economic and environmental trade-offs. Addressing these issues requires an integrated approach combining advanced subsurface modeling with system-level analyses to assess costs, risks, and benefits. This presentation provides an overview of studies conducted by the National Energy Technology Laboratory (NETL) to tackle these challenges. NETL’s efforts encompass cutting-edge research in subsurface fluid behavior machine learning predictions, alongside the development of innovative tools for system optimization and economic evaluation. By bridging technical expertise and strategic analysis, NETL aims to advance the deployment of CCUS technologies to support global decarbonization efforts. Presented at the Carnegie Mellon University CEE IESS Student Seminar October 4, 2024.

Shih, Chung Yan↗
DOE OSTI2026

Multi-system analysis of offshore geologic carbon storage: a review of open-source data science solutions

Geologic carbon storage projects are maturing worldwide and the footprint of deployment in the offshore is expanding. At present, there are ten projects in operation or that have been completed, more than 50 in construction and development, and dozens of characterization studies completed or underway. Offshore geologic carbon storage offers potential benefits over onshore geologic carbon storage. These offshore projects are generally remote in location, distant from population centers, and avoid complicated pore space rights while having abundant prospective storage potential. Some offshore fields targeted for carbon storage have comparatively fewer prior borehole penetrations except for areas that have been explored for petroleum production, minimizing potential issues such as pressure interference and infrastructure impacts. Yet offshore geologic carbon storage projects face distinctive technical and economic challenges, such as seafloor geohazards (e.g., seabed instability), expensive maritime transport, and meteorological-oceanographic conditions that can damage infrastructure and impact operations. Analytical capabilities and improved computational speeds have advanced engineering, earth and energy sciences in the wake of the arrival of modern data science over the last decade. These advancements have created an opportunity for integrated, multi-systems modeling approaches utilizing artificial intelligence and machine learning that are no longer limited by computational issues. Analytical tools developed alongside this advancement in data science can be leveraged to calibrate the potential advantages and challenges of carbon storage operations in the offshore. New methods and approaches that incorporate data science to analyze multiple aspects of engineered and natural systems can provide insights that complement the characterization and onsite engineering that traditional commercial and operational software addresses. These new methods and approaches can potentially improve the outcome of energy operations and carbon storage. Providing multi-system, science-driven data analytics enhances the knowledge base that offshore developers, operators, and regulatory bodies may draw from to improve offshore site selection and operational efficiency. Here, we provide a brief synopsis of geologic carbon storage efforts to date, an overview of the engineered and natural systems involved in offshore geologic carbon storage, and a review of publicly available, open-source, offshore and/or carbon storage related data- and science-driven tools developed by 2010 or later that are suitable for screening and assessing regions for offshore geologic carbon storage.

artificial intelligence↗
NASA NTRS1983

Surface studies with (clean) supported metal particles and clusters

Small particles are ideal for combined studies with surface analytical and electron microscopy/diffraction methods. In this way crystallography, microstructure, morphology, physical stability, and electronic structure can be correlated directly with chemical reactivity. Various integrated experimental approaches for conducting model studies with UHV-evaporated particles have been successfully developed; they entail the use of TPD, AES, XPS, and work function measurements on one hand and standard TEM/TED, in-situ TEM/TED, and in-situ STED/TEM techniques on the other hand. The essential features of four particular experimental approaches are discussed and a selection of representative results is presented to illustrate the potential usefulness of such studies in the field of catalysis.

Poppa, H. R.↗
NASA NTRS1988

Groundwater sapping valleys: Experimental studies, geological controls and implications to the interpretation of valley networks on Mars

An integrated approach using experimental laboratory models, field studies of terrestrial analogs, and remote studies of terrestrial field sites were applied to the goals of understanding the nature and morphology of valley networks formed by groundwater sapping. In spite of problems with scaling, the experimental studies provide valuable insights into concepts relating to the initiation, development, and evolution of valleys by groundwater sapping. These investigations are also aimed at developing geomorphic criteria for distinguishing valleys formed by surface runoff from those formed by groundwater sapping processes. Channels that were field classified as sapping vs. runoff were successfully distinguished using statistical analysis of their respective morphologies; therefore, it may be possible to use similar techniques to interpret channel genesis on Mars. The terrestrial and flume studies provide the ground truth dataset which can be used (and will be during the present year) to help interpret the genesis of valley networks on Mars.

Kochel, R. Craig↗
NASA NTRS2008

The Joint Aerosol-Monsoon Experiment: A New Challenge to Monsoon Climate Research

Aerosol and monsoon related droughts and floods are two of the most serious environmental hazards confronting more than 60% of the population of the world living in the Asian monsoon countries. In recent years, thanks to improved satellite and in-situ observations, and better models, great strides have been made in aerosol, and monsoon research respectively. There is now a growing body of evidence suggesting that interaction of aerosol forcing with water cycle dynamics in monsoon regions may substantially alter the redistribution of energy at the earth surface and in the atmosphere, and therefore significantly impact monsoon rainfall variability and long term trends. In this talk, I will describe issues related to societal needs, scientific background, and challenges in studies of aerosol-water cycle interaction in Asian monsoon regions. As a first step towards addressing these issues, the authors call for an integrated observation and modeling research approach aimed at the interactions between aerosol chemistry and radiative effects and monsoon dynamics of the coupled ocean-atmosphere-land system. A Joint Aerosol-Monsoon Experiment (JAMEX) is proposed for 2007-2011, with an enhanced observation period during 2008-09, encompassing diverse arrays of observations from surface, aircraft, unmanned aerial vehicles, and satellites of physical and chemical properties of aerosols, long range aerosol transport as well as meteorological and oceanographic parameters in the Indo-Pacific Asian monsoon region. JAMEX will leverage on coordination among many ongoing and planned national programs on aerosols and monsoon research in China, India, Japan, Nepal, Italy, US, as well as international research programs of the World Climate Research Program (WCRP) and the World Meteorological Organization (WMO).

Lau, William K. M.↗
NASA NTRSDate not supplied

TPSAS-NF1676L-27654-DND

An integrated approach involving observations and models promotes the understanding of atmospheric processes, which helps to mitigate air quality issues.

Gao Chen↗
NASA NTRS2003

Evaluation of private sector roles in space resource development

An integrated engineering and financial modeling approach has been developed and used to evaluate the potential for private sector investment in space resource development, and to assess possible roles of the public sector in fostering private interest. This paper presents the modeling approach and its results for a transportation service using propellant extracted from lunar regolith.

space↗
NASA NTRSDate not supplied

Integrated National and Regional Agricultural Planning with AgMIP Tools and Methods

AgMIP, through its unique integration of multi-modeling approaches with stakeholder engagement, has advanced co-development of decision support tools and adaptation strategies in the face of climate change and other shocks (especially COVID-19). This has helped generate actionable information for adaptation planning processes in developing countries. Local-to-national stakeholders and decision-makers appreciate the research-informed stakeholder dialogue as very helpful in identifying research and policy gaps. These motivate concise recommendations for productivity-enhancing, environmentally sound technologies, and inclusive development approaches. Furthermore, these stakeholder dialogues help bridge the gaps between policy, research, and adaptation strategies, especially for low-input smallholder farming systems.

Agricultural Model Intercomparison and Improvement↗