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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

WEC Extreme Conditions Modeling Sandia Summer Intern 2017 Report

This report contains work completed by a group of student interns during the summer of 2017. Under the guidance of Ryan Coe, Aubrey Eckert-Gallup, and Nevin Martin, a series of interrelated projects were completed on topics relating to extreme response and survival analysis of wave energy converters (WECs). Jarred Canning studied long-term design response analysis methods for WECs. Sam Edwards studied how variation in the selection of an environmental contour affects the characterization of WEC response in extreme conditions. Sam also led the integration of various components of this report and overall editing. Tyler Esterly produced a catalog of analyses for different ocean sites. Bibiana Seng studied clustering analyses for comparing the wave environments of different ocean sites. Lori Smith performed a comparison between analyses conducted using spectral wave data and analyses using deterministic time-domain wave data. William ("Zach") Stuart studied the sensitivity and convergence of environmental contour methods.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

The thermodynamics of a liquid-solid interface at extreme conditions: A model close-packed system up to 100 GPa

The first experimental insight into the nature of the liquid-solid interface occurred with the pioneering experiments of Turnbull, which simultaneously demonstrated both that metals could be deeply undercooled (and therefore had relatively large barriers to nucleation) and that the inferred interfacial free energy γ was linearly proportional to the enthalpy of fusion [D. Turnbull, J. Appl. Phys. 21, 1022 (1950)]. By an atomistic simulation of a model face-centered cubic system via adiabatic free energy dynamics, we extend Turnbull’s result to the realm of high pressure and demonstrate that the interfacial free energy, evaluated along the melting curve, remains linear with the bulk enthalpy of fusion, even up to 100 GPa. This linear dependence of γ on pressure is shown to be a consequence of the entropy dominating the free energy of the interface in conjunction with the fact that the entropy of fusion does not vary greatly along the melting curve for simple monoatomic metals. Here, based on this observation, it appears that large undercoolings in liquid metals can be achieved even at very high pressure. Therefore, nucleation rates at high pressure are expected to be non-negligible, resulting in observable solidification kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Estimating Material Properties Under Extreme Conditions by Using Bayesian Model Calibration with Functional Outputs

Summary Dynamic material properties experiments provide access to the most extreme temperatures and pressures attainable in a laboratory setting; the data from these experiments are often used to improve our understanding of material models at these extreme conditions. We apply Bayesian model calibration to dynamic material property applications where the experimental output is a function: velocity over time. This framework can accommodate more uncertainties and facilitate analysis of new types of experiments relative to techniques traditionally used to analyse dynamic material experiments. However, implementation of Bayesian model calibration requires more sophisticated statistical techniques, because of the functional nature of the output as well as parameter and model discrepancy identifiability. We propose a novel Bayesian model calibration process to simplify and improve the estimation of the material property calibration parameters. Specifically, we propose scaling the likelihood function by an effective sample size rather than modelling the auto-correlation function to accommodate the functional output. Additionally, we propose sensitivity analyses by using the notion of 'modularization' to assess the effect of experiment-specific nuisance input parameters on estimates of the physical parameters. The Bayesian model calibration framework proposed is applied to dynamic compression of tantalum to extreme pressures, and we conclude that the procedure results in simple, fast and valid inferences on the material properties for tantalum.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Response of Simple, Model Systems to Extreme Conditions

The focus of the research was on the application of high-pressure/high-temperature techniques, together with intense energetic ion beams, to the study of the behavior of simple oxide systems (e.g., SiO 2 , GeO 2 , CeO 2 , TiO 2 , HfO 2 , SnO 2 , ZnO and ZrO 2 ) under extreme conditions. These simple stoichiometries provide unique model systems for the analysis of structural responses to pressure up to and above 1 Mbar, temperatures of up to several thousands of kelvin, and the extreme energy density generated by energetic heavy ions (tens of keV/atom). The investigations included systematic studies of radiation- and pressure-induced amorphization of high P-T polymorphs. By studying the response of simple stoichiometries that have multiple structural “outcomes”, we have established the basic knowledge required for the prediction of the response of more complex structures to extreme conditions. We especially focused on the amorphous state and characterized the different non-crystalline structure-types that result from the interplay of radiation and pressure. For such experiments, we made use of recent technological developments, such as the perforated diamond-anvil cell and in situ investigation using synchrotron x-ray sources. We have been particularly interested in using extreme pressures to alter the electronic structure of a solid prior to irradiation. We expected that the effects of modified band structure would be evident in the track structure and morphology, information which is much needed to describe theoretically the fundamental physics of track-formation. Finally, we investigated the behavior of different simple-oxide, composite nanomaterials (e.g., uncoated nanoparticles vs. core/shell systems) under coupled, extreme conditions. This provided insight into surface and boundary effects on phase stability under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

SurFE-XD (Surface curvature-driven Finite Elements model for Diffusion under eXtreme conditions)

SurFE-XD is a mesoscale finite element framework to model surface diffusion under mutliphysics environments. The code uses legacy C++ library dolphin wrapped with python in a FEniCS driven unified form language and just-in-time (JIT) compilation setting. The purpose of the release is to attract wide-ranging usage of the code along with publication supplementation to support reproducibility of scientific data. SurFE-XD has been originally conceived under the LDRD-DR funding for “High-Gradient (C-BAND) Breakdown tolerant accelerator materials project. Currently SrFE-XD support electrostatics and Thermo-elasticity driven surface diffusion kernels. Releasing the code will also enable to include contributions from other physical regimes e.g., plasticity and electrodynamics etc as well portability to GPU-based platforms.

Bagchi, Soumendu↗
DOE OSTI2022

Modeling of Supercritical CO2 Shell-and-Tube Heat Exchangers Under Extreme Conditions: Part II: Heat Exchanger Model

Abstract Heat exchangers play a critical role in supercritical CO2 Brayton cycles by providing necessary waste heat recovery. Supercritical CO2 thermal cycles potentially achieve higher energy density and thermal efficiency operating at elevated temperatures and pressures. Accurate and computationally efficient estimation of heat exchanger performance metrics at these conditions is important for the design and optimization of sCO2 systems and thermal cycles. In this paper (Part II), a computationally efficient and accurate numerical model is developed to predict the performance of shell-and-tube heat exchangers (STHXs). Highly accurate correlations reported in Part I of this study are utilized to improve the accuracy of performance predictions, and the concept of volume averaging is used to abstract the geometry and reduce computation time. The numerical model is validated by comparison with computational fluid dynamics (CFD) simulations and provides high accuracy and significantly lower computation time compared to existing numerical models. A preliminary optimization study is conducted and the advantage of using supercritical CO2 as a working fluid for energy systems is demonstrated.

Engineering↗
DOE OSTI2018

Design Load Analysis for Wave Energy Converters: Preprint

This study demonstrates a systematic methodology for establishing the design loads of a wave energy converter (WEC). The proposed design load methodology incorporates existing design guidelines, where they exist, and follows a typical design progression; namely, advancing from many, quick, order-of-magnitude accurate, conceptual stage design computations to a few, computationally intensive, high-fidelity, design validation simulations. The goal of the study is to streamline and document this process based on quantitative evaluations of the design loads' accuracy at each design step and consideration for the computational efficiency of the entire design process. For the WEC, loads, and site conditions considered, this study demonstrates an efficient and accurate methodology of evaluating the design loads.

16 TIDAL AND WAVE POWER↗
DOE OSTI2017

Structural Loads Analysis for Wave Energy Converters: Preprint

This study explores and verifies the generalized body-modes method for evaluating the structural loads on a wave energy converter (WEC). Historically, WEC design methodologies have focused primarily on accurately evaluating hydrodynamic loads, while methodologies for evaluating structural loads have yet to be fully considered and incorporated into the WEC design process. As wave energy technologies continue to advance, however, it has become increasingly evident that an accurate evaluation of the structural loads will enable an optimized structural design, as well as the potential utilization of composites and flexible materials, and hence reduce WEC costs. Although there are many computational fluid dynamics, structural analyses and fluid-structure-interaction (FSI) codes available, the application of these codes is typically too computationally intensive to be practical in the early stages of the WEC design process. The generalized body-modes method, however, is a reduced order, linearized, frequency-domain FSI approach, performed in conjunction with the linear hydrodynamic analysis, with computation times that could realistically be incorporated into the WEC design process. The objective of this study is to verify the generalized body-modes approach in comparison to high-fidelity FSI simulations to accurately predict structural deflections and stress loads in a WEC. Two verification cases are considered, a free-floating barge and a fixed-bottom column. Details for both the generalized body-modes models and FSI models are first provided. Results for each of the models are then compared and discussed. Finally, based on the verification results obtained, future plans for incorporating the generalized body-modes method into the WEC simulation tool, WEC-Sim, and the overall WEC design process are discussed.

17 WIND ENERGY↗