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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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Portable Acceleration of Materials Modeling Software: CASTEP, GPUs, and OpenACC
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Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design
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Modeling Spectrally-Selective Reflection for Thermal Management in Monofacial and Bifacial Modules
Parasitic absorption in photovoltaic modules is a major source of waste heat, which drives operating temperatures 20-30K above ambient. Spectrally-selective sub-bandgap reflection can reduce parasitic absorption, thereby improving module efficiency and power output. Here, we investigate the performance of 1-D spectrally-selective mirrors in monofacial Al BSF and PERC modules, and bifacial PERC modules. In monofacial modules, these mirrors offer >1.2% increase in energy yield compared to single-layer anti-reflection coatings, while cooling by over 1K on average. Mirrors reduced bifacial module parasitic absorption by up to 34 W/m2 out of 1240 W/m2 incident.
Building Local Models for Flexible Degradation Modeling and Prognostics
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A Fused Gaussian Process Modeling and Model Predictive Control Framework for Real-Time Path Adaptation of an Airborne Wind Energy System
Not provided.
THE PALO VERDE WATER CYCLE MODEL (PVWCM) ? DEVELOPMENT OF AN INTEGRATED MULTI-PHYSICS AND ECONOMICS MODEL FOR EFFECTIVE WATER MANAGEMENT.
Abstract not provided.
Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys
Ab initio electronic-structure has remained dichotomous between achievable accuracy and length-scale. Quantum many-body (QMB) methods realize quantum accuracy but fail to scale. Density functional theory (DFT) scales favorably but remains far from quantum accuracy. We present a framework that breaks this dichotomy by use of three interconnected modules: (i) invDFT: a methodological advance in inverse DFT linking QMB methods to DFT; (ii) MLXC: a machine-learned density functional trained with invDFT data, commensurate with quantum accuracy; (iii) DFT-FE-MLXC: an adaptive higher-order spectral finite-element (FE) based DFT implementation that integrates MLXC with efficient solver strategies and HPC innovations in FE-specific dense linear algebra, mixed-precision algorithms, and asynchronous compute-communication. Furthermore, we demonstrate a paradigm shift in DFT that not only provides an accuracy commensurate with QMB methods in ground-state energies, but also attains an unprecedented performance of 659.7 PFLOPS (43.1% peak FP64 performance) on 619,124 electrons using 8,000 GPU nodes of Frontier supercomputer.
A New Rock Salt Constitutive Model with Back Stress and Drag Stress Hardening.
Abstract not provided.
SCALE Non-LWR Models for NRC Volume 3
This dataset contains input and result files of computational simulations with the SCALE code system. The simulations cover radionuclide inventory and reactivity analyses of various advanced reactors. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases
SCALE Non-LWR Models for NRC Volume 5
This dataset contains input and result files of computational simulations with the SCALE code system. The simulations cover radionuclide inventory generation, criticality calculations, and dose rate/shielding analyses of various advanced reactors. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases
SCALE HTR-PROTEUS Benchmark Model
This dataset contains input and result files of computational simulations of HTR-PROTEUS benchmark with the latest version of SCALE code system. The simulations cover criticality control rod worth calculations as well as sensitivity analysis and uncertainty quantification. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases
Implementation of a Gas Transport Model in SAM for Modeling of Molten Salt Reactors
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Nuclide Inventory Validation: Radiochemical Assay Data Quality and Modeling Challenges in Benchmark Models Development
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Model-driven analysis of mutant fitness experiments improves genome-scale metabolic models of Zymomonas mobilis ZM4
Not Available
Seismic Tomography Modeling of Israel and the Middle East: Improved resolution through optimized model parameterization [Slides]
Goals for the project included: Testing the limits of RSTT resolving capability; Increasing accuracy of travel time predictions (used for earthquake location) through data-dictated grid refinement; and, refining subsurface images of Israel and the Eastern Mediterranean and tectonic structures in the area.
Results from Fuel Matrix Degradation Model Parameterization Experiments and Model Development Activities
This work is being performed as part of the DOE NE Spent Fuel and Waste Science and Technology Campaign, Argillite and Crystalline Rock R&D work packages: SF-20AN01030101 and SF-20AN01030201 respectively. This document is submitted in fulfillment of milestone M4SF-20AN010301013 for Argillite R&D and the milestone M4SF-20AN010302013 for Crystalline R&D
Jaynesian Analysis of Environmental Chemistry: Systems Model Component Integration via the Arctic Aquatic Carbon Cycle
Focal Areas: All three are touched upon from the OBER call. We will consider formal logical inference and entropic information analysis for sparse but intensive chemical measurements, as optimal drivers for managing process complexity. As a centerpiece for the discussion we take soil-to-sea organic structural evolution within the Arctic hydro-geochemosphere, assessing detrital negentropy then algorithmic greed to generate ranked, reduced mechanisms for system integration.