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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Bridging material models across scales: An integrated approach to equation of state and molecular dynamics modeling of copper

New uncertainty-aware equation of state (EOS) and electrical conductivity (EC) models for copper have been developed. The multiphase EOS/EC models are fit to experimental solid/liquid EC isobar measurements as well as density-functional theory molecular dynamics (DFT-MD) EC calculations in both expanded and compressed regimes (0.1–16 g/ cm 3 ⁠). The liquid and solid EOS phases were fit to available experimental data along with additional DFT-MD data over the same range as the EC. Leveraging the DFT-MD data, a corresponding machine-learned interatomic potential (MLIAP) for copper was trained using genetic-algorithm optimization. The copper MLIAP was constrained by EOS shock points at high compressions. The final EOS bounded MLIAP proves to be stable over a large density range (approximately 0.1–20 g/ cm 3 ) with good agreement to an isothermal compression curve, shock Hugoniot, and liquid speed of sound measurements at high pressures (100s of GPa).

Acoustic measurements and instrumentation↗
DOE OSTI2024

Modeling turbulent impurity transport in the SOL of DIII-D with a reduced model

A novel impurity transport model that approximates SOL turbulence as a fluctuating poloidal electric field is shown to be an acceptable replacement for the traditional approach of assigning an arbitrary radial diffusion coefficient to the impurity ions. The model is implemented in the DIVIMP impurity transport code and applied to an L-Mode tungsten divertor experiment on DIII-D. The poloidal electric field is represented as fluctuating between ±1000 V m –1 based on previous measurements. The resulting intermittent v r = E θ × B T transport causes ions to transport both into the core as well as into the far-SOL. Simultaneous agreement with estimates of the W density just inside the separatrix as well as in the far-SOL is obtained (n W ~ 10 14 m –3 and n W ~ 10 12 m –3 , respectively). Prompt re-deposition of the W ions was necessary to obtain agreement (f redep ~ 99%). Here, we conclude that simulating impurity transport using a physics-based approximation for turbulence in the SOL, versus arbitrarily assigning diffusion coefficients, may enable better reactor scale predictions of core impurity contamination.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Return of the Lemnaceae: duckweed as a model plant system in the genomics and postgenomics era

Abstract The aquatic Lemnaceae family, commonly called duckweed, comprises some of the smallest and fastest growing angiosperms known on Earth. Their tiny size, rapid growth by clonal propagation, and facile uptake of labeled compounds from the media were attractive features that made them a well-known model for plant biology from 1950 to 1990. Interest in duckweed has steadily regained momentum over the past decade, driven in part by the growing need to identify alternative plants from traditional agricultural crops that can help tackle urgent societal challenges, such as climate change and rapid population expansion. Propelled by rapid advances in genomic technologies, recent studies with duckweed again highlight the potential of these small plants to enable discoveries in diverse fields from ecology to chronobiology. Building on established community resources, duckweed is reemerging as a platform to study plant processes at the systems level and to translate knowledge gained for field deployment to address some of society’s pressing needs. This review details the anatomy, development, physiology, and molecular characteristics of the Lemnaceae to introduce them to the broader plant research community. We highlight recent research enabled by Lemnaceae to demonstrate how these plants can be used for quantitative studies of complex processes and for revealing potentially novel strategies in plant defense and genome maintenance.

Biochemistry & Molecular Biology↗
DOE OSTI2024

Modeling and Assessment of Integrated Hydroelectric Power and Hydrogen Energy Storage

Environmental and regulatory constraints are increasingly posing challenges to the optimal operation of hydroelectric facilities. Hydrogen energy storage (HES) is well-suited to address these challenges.Using excess or low-cost hydroelectric power during off-peak hours to produce hydrogen can help reduce water spills and unlock opportunities for energy arbitrage. Moreover, the oxygen byproduct of electrolysis can be used to improve the dissolved oxygen (DO) levels in tailrace water. %, a key water quality metric for hydroelectric facilities.This paper presents an innovative framework for modeling and assessing the integrated hydroelectric-hydrogen system, considering subsystem constraints and coupling, benefits in spill water reduction and DO mitigation, as well as diverse hydrogen utilization, including re-electrification, blending with natural gas, and direct sales. Comprehensive case studies were conducted to assess the techno-economic performance of the integrated system in different deployment scenarios.

Energy storage, Hydrogen, Hydropower, Optimization↗
DOE OSTI2024

Frequency Stability Enhancement in a Fully Solar Power Grid: A Case Study on the Saudi Model

Recently, renewable energy sources (RES) such as solar photovoltaic (PV) have been recognized for their significant potential. Several studies have explored the issue of frequency stability with high RES penetration. A significant observation related to this issue is the decline in the weighted short circuit ratio (WSCR), which has the potential to adversely affect system stability. This research uniquely focuses on the gradual transition of the Saudi Electricity Company (SEC) system to a fully integrated solar PV grid, offering insight and methodology that can be adapted for other power systems. While a variety of mitigation methods are available, synchronous condensers (SC) were used in this study to stabilize grid frequency, and their implementation has been shown to improve the overall performance of the system. In response to the observed decline in WSCR, a comprehensive short circuit analysis was applied across all regions in the Saudi power grid model to evaluate the reduction in short circuit power and highlight areas requiring enhancement. Finally, scenarios illustrating frequency response with a gradual increase in SCR were analyzed, with the objective of establishing a stable, fully solar PV power system that is resilient to sudden power grid disturbances.

14 SOLAR ENERGY↗
DOE OSTI2022

Modeling and Feedback Compensator Design for Power-Hardware-in-the-Loop System for Medium-Voltage Grid-Connected Power Converters

Hardware-in-the-loop (HIL) evaluation is a method in which the test subject is split into a physical part and a simulated part, and these parts are connected with interfaces to form a combined physical-numerical system. Power-hardware-in-the-loop (PHIL) systems, where actual hardware is connected to a real-time model, can exhibit issues of instability, inaccuracy and errors when operating in a closed-loop. The challenges of generating a PHIL setup are that, first, because of the limited dynamic response of the different parts of the system, the test results might be inaccurate, and, second, because of the high frequency noise introduced by the sensors to the closed-loop system, it can be difficult to design a compensator for the real-time emulator response, while stabilizing the closed-loop system at the same time. In this paper, different parts of a PHIL system are characterized, and the feedback compensator system design is proposed for the stable operation of the closed-loop PHIL system. The issues as observed in a PHIL system without any compensator are demonstrated using experimental results, and the effectiveness of a first order phase lead compensator is validated.

compensator design↗
DOE OSTI2026

Cooling Matters: Benchmarking Large Language Models and Vision-Language Models on Liquid-Cooled Versus Air-Cooled H100 GPU Systems

The unprecedented growth in artificial intelligence (AI) workloads, recently dominated by large language models (LLMs) and vision-language models (VLMs), has intensified power and cooling demands in data centers. This study benchmarks LLMs and VLMs on two HGX nodes, each with 8× NVIDIA H100 graphics processing units (GPUs), using liquid and air cooling. Leveraging GPU Burn, Weights & Biases, and IPMItool, we collect detailed thermal, power, and computation data. Results show that the liquid-cooled systems maintain GPU temperatures between 41-50$^\circ$C, while the air-cooled counterparts fluctuate between 54-72$^\circ$C under load. This thermal stability of liquid-cooled systems yields 17% higher performance (54 TFLOPs/ GPU vs. 46 TFLOPs/GPU), performance-per-watt, reduced energy overhead, and greater system efficiency than the air-cooled counterparts. These findings underscore the energy and sustainability benefits of liquid cooling, offering a compelling path forward for hyperscale data centers seeking to optimize AI infrastructure. https://github.com/iscaas/Cooling-Matters.

Latif, Imran↗
DOE OSTI2020

Tuning of Nacelle Feedback Gains for Floating Wind Turbine Controllers Using a Two-DOF Model

Designing a collective blade pitch controller for floating offshore wind turbines (FOWTs) poses unique challenges due to the interaction of the controller with the dynamics of the platform. The controller must also handle the competing objectives of power production performance and fatigue load management. Existing solutions either detune the controller with the result of slowed response, make use of complicated tuning methods, or incorporate a nacelle velocity feedback gain. With the goal of developing a simple control tuning method for the general FOWT researcher that is easily extensible to a wide array of turbine and hull configurations, this last idea is built upon by proposing a simple tuning strategy for the feedback gain. This strategy uses a two degree-of-freedom (DoF) turbine model that considers tower-top fore-aft and rotor angular displacements. For evaluation, the nacelle velocity term is added to an existing gain scheduled proportional-integral controller as a proportional gain. The modified controller is then compared to baseline land-based and detuned controllers on an example system for several load cases. First-pass results are favorable, demonstrating how researchers can use the proposed tuning method to efficiently schedule gains for adequate controller performance as they investigate new FOWT configurations.

49 EE - Wind and Water Power Program - Wind (EE-4W↗
DOE OSTI2022

Residual Stress Modeling and Advanced Diffraction Measurements of 347H Steel Weldments

The 347H stainless steel is a primary high-temperature material for many energy and power generation industries. Stress relief cracking (SRC) has been a particular concern in welding of this material. The residual stress induced by welding and its evolution during post-welding heat treatment (PWHT) and subsequent operating and service conditions is one of the primary factors contributing to SRC. The lifetime of welded structure components is also controlled by the precipitation kinetics that accompanies PWHT, stress relaxation process, and long-term aging and complex synergistic factors. Various theories have been proposed in the past to explain SRC. However, a widely accepted approach to predicting the entire damage evolution and the resulting performance reduction is still lacking. This study is to demonstrate a reliable solution for two critical issues that affect the predictions. First, the residual stress distribution obtained from both simulation and neutron diffraction is compared, which increases the accuracy of mechanical analysis simulation model and therefore builds a solid basis for the lifetime prediction model. Second, the generation, evolution, and annihilation of precipitates are monitored by the synchrotron diffraction experiment. Preliminary results demonstrate the critical importance of precipitation kinetics on the residual stress distribution/redistribution during heat treatments.

Yang, Yi↗
DOE OSTI2020

Performance Evaluation of a Two-Dimensional Flood Model on Heterogeneous High-Performance Computing Architectures

This paper describes the implementation of a two-dimensional hydrodynamic flood model with two different numerical schemes on heterogeneous high-performance computing architectures. Both schemes were able to solve the nonlinear hyperbolic shallow water equations using an explicit upwind first-order approach on finite differences and finite volumes, respectively, and were conducted using MPI and CUDA. Four different test cases were simulated on the Summit supercomputer at Oak Ridge National Laboratory. Both numerical schemes scaled up to 128 nodes (768 GPUs) with a maximum 98.2x speedup of over 1 GPU. The lowest run time for the 10 day Hurricane Harvey event simulation at 5 meter resolution (272 million grid cells) was 50 minutes. GPUDirect communication proved to be more convenient than the standard communication strategy. Both strong and weak scaling are shown.

Sharif, Md Bulbul↗
DOE OSTI2020

Modeling epidemic spread with spike-based models

The Susceptible-Infected-Recovered/Removed model is a standard model for epidemiological spread of disease through vulnerable populations. In this paper we show how SIR network dynamics can be implemented using spiking neurons.

Hamilton, Kathleen↗
DOE OSTI2023

From Atoms to Wheels: The Role of Multi-Scale Modeling in the Future of Transportation Electrification

Traditionally, prototype hardware is built for validation testing to ensure battery systems design changes meet vehicle-level requirements, which is expensive both in cost and time. Virtual engineering (VE) of battery systems for electric vehicle (EV) propulsion offers a reduced-cost alternative to the traditional development process and uses multi-scale modeling to virtually probe the impact of design changes in a particular part on the overall performance of the system. This allows for rapid iteration over multiple design spaces, without committing to build hardware. This perspective article discusses current trends in VE for EV applications and proposes improvements to accelerate EV adoption.

Garrick, Taylor R. (ORCID:0000000322518129)↗
DOE OSTI2025

Fully Bayesian Analysis With Model Inadequacy Correction For Nuclear Graphite Property Models With Hierarchical Variance Structure

Nuclear-grade graphites are extensively utilized in the core designs of various advanced nuclear reactors. Within the reactor environment, graphite is subjected to prolonged exposure to extreme conditions, including high temperatures, radiation, and potentially molten salt and oxygen. Such exposure can induce several degradation mechanisms in graphite, such as nonuniform volumetric strains caused by irradiation and thermal expansion, leading to stresses that may compromise the performance of graphite components. Assessing component integrity, forecasting component performance over the reactor's lifespan, and developing design standards necessitate robust tools for predicting fracture initiation and propagation in graphite structural components within nuclear reactors. This code enables the Bayesian calibration of properties for nuclear-grade graphites. Using a hierarchical Bayesian approach, multiple experimental data sources are combined to develop Gaussian process models for the properties. Using the Kennedy O'Hagan framework, the uncertainties due inadequacies in the model and the inherent spread in the experimental data are quantified.

Dhulipala, Som Lakshmi NarasimhaLakshmi Narasimha ↗
DOE OSTI2024

Light-induced electron dynamics of molecules in cavities: comparison of model Hamiltonians

The rapidly expanding field of polaritonic chemistry requires accurate theoretical simulations to understand new phenomena at the atomic scale. Computing the optoelectronic properties of molecules using established electronic structure methods is a careful balance of accuracy and computational expense, and expanding these methods to quantum electrodynamics to describe coupled cavity-molecule systems is an active topic of development. Key to these methods are the Hamiltonian operators representing the photon cavity modes. The recently introduced quantum electrodynamics time-dependent configuration interaction (QED-TDCI) method allows for the combination of electron dynamics simulations with quantum electrodynamics, enabling the simulation of time-dependent optoelectronic properties of cavity-molecule systems. Using this method, a comparison of two many-state QED Hamiltonians—the Pauli-Fierz and quantum Rabi model Hamiltonians—is presented, with a particular focus on time-dependent properties in applied electric fields.

Peyton, Benjamin G. (ORCID:0000000163190751)↗