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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Optimized Electromagnetic Fields Levitate Bulk Metallic Materials

The bulk metallic electromagnetic levitation technique has a promising application prospect in condensed physics and materials science. In order to resolve the problem of weak levitation force and the small size of samples, an optimized solution based on finite element analysis (FEA) is developed to seek the best electromagnetic field distribution in the levitation zone. The influence of material properties on the distribution of magnetic flux density, surface pressure, and the Lorentz force were studied by the FEA method with various sample sizes of titanium and copper balls. The levitation capability of cylindrical coil system which consists of a single-layer coil with an inner diameter of 30 mm and the levitated object with a diameter of 20 mm was analyzed. To keep a balance between the turn number and increment efficiency of force, the best number of 7 turns is confirmed. Then, two types of optimized coils were predicted by numerical simulations, and the levitation force is improved drastically. The double-layer coil displays an outstanding levitation capability owing to the strong electromagnetic field generated by multilayer turns. In addition, 5 to 50 g aluminum, titanium, copper, and nickel are levitated by the above three kinds of coils and the levitation capacities are validated from the recorded data of the minimum operating current that can levitate the samples. The experimental results show good agreements with the simulation results, and the minimum current for optimized coils is reduced efficiently.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Three dimensional optimization for subsonic axial turbines operating at high unsteady inlet Mach number

In this paper, a three dimensional optimization strategy is presented to improve the performance of a subsonic axial turbine exposed to high Mach number unsteady inflows encountered in pressure gain combustors. The optimization aims at altering the stator hub and shroud end wells. A multi-objective differential evolution optimizer was used to enhance specific work and efficiency. The optimization routine consisted of a multi-step approach where in a first step an optimization was carried out where the turbine was subjected to a steady high Mach inflow. The turbine stage was parametrized via an in-house turbine design tool based on Bezier curves. Seven design parameters were selected to contour the stator end walls and rotor hub end wall. The parametrized turbine stage was meshed and the steady Reynolds-Averaged Navier-Stokes equations were solved via the commercial solver CFD++ and calculation time of each stage was around 10 hours. Results of the steady optimization identified three major design parameters of stator end walls, which were taken as inputs for the next phase unsteady optimization. For the unsteady simulations, a large inlet fluctuation was imposed and the turbine was modeled with the mixing plane approach. Total calculation time of each individual was 48 hours. An efficiency improvement of 10% from the steady optimization and 13% from the unsteady optimization was found compared to the baseline case. Finally, full unsteady simulations with two stator and three rotor passages were performed on selected steady and unsteady optimized configurations.

03 NATURAL GAS↗
DOE OSTI2017

Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities

A force field for perfluoropolyethers (PFPEs) based on the general optimized potentials for liquid simulations all-atom (OPLS-AA) force field has been derived in conjunction with experiments and ab initio quantum mechanical calculations. Vapor pressures and densities of two liquid PFPEs, perfluorodiglyme (CF 3 –O–(CF 2 –CF 2 –O)2–CF 3 ) and perfluorotriglyme (CF 3 –O–(CF 2 –CF 2 –O) 3 –CF 3 ), have been measured experimentally to validate the force field and increase our understanding of the physical properties of PFPEs. Force field parameters build upon those for related molecules (e.g., ethers and perfluoroalkanes) in the OPLS-AA force field, with new parameters introduced for interactions specific to PFPEs. Molecular dynamics simulations using the new force field demonstrate excellent agreement with ab initio calculations at the RHF/6-31G* level for gas-phase torsional energies (<0.5 kcal mol –1 error) and molecular structures for several PFPEs, and also accurately reproduce experimentally determined densities (<0.02 g cm –3 error) and enthalpies of vaporization derived from experimental vapor pressures (<0.3 kcal mol–1). Additional comparisons between experiment and simulation show that polyethers demonstrate a significant decrease in enthalpy of vaporization upon fluorination unlike related molecules (e.g., alkanes and alcohols). Simulation suggests this phenomenon is a result of reduced cohesion in liquid PFPEs due to a reduction in localized associations between backbone oxygen atoms and neighboring molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Direct microstability optimization of stellarator devices

Turbulent transport is regarded as one of the key issues in magnetic confinement nuclear fusion, both for tokamaks and stellarators. Here, in this work, we show that a significant decrease in a microstability-based proxy, as opposed to a geometric one, for the turbulent heat flux, namely the quasilinear heat flux, can be obtained in an efficient manner by coupling stellarator optimization with linear gyrokinetic simulations. This is accomplished by computing the quasilinear heat flux at each step of the optimization process, as well as the deviation from quasisymmetry, and minimizing their sum, leading to a balance between neoclassical and the turbulent transport proxy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Design of a Critical Experiment to Validate Yttrium Hydride at Varying Temperatures

As microreactors become an emerging nuclear energy source for remote applications, designers are looking at the use of high temperature moderator material to reduce the fuel mass in the core by up to a factor of two. The microreactor community is in constant search of the best moderator material to retain hydrogen at high temperatures while optimizing neutronic performance. Recent simulation work has shown that materials which have a high and low Z component are optimal for this application. Material properties studies have further shown that yttrium hydride maintains hydrogen and stays as a solid until well over the needed temperatures, and thus retains hydrogen. A critical experiment is planned at the National Criticality Experiments Research Center (NCERC) to test the reactivity behavior of yttrium hydride at standard and elevated temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1968

Assembly, checkout, and operation optimization analysis technique for complex systems

Computerized simulation model of a launch vehicle/ground support equipment system optimizes assembly, checkout, and operation of the system. The model is used to determine performance parameters in three phases or modes - /1/ systems optimization techniques, /2/ operation analysis methodology, and /3/ systems effectiveness analysis technique.

Source record↗
DOE OSTI2023

Self-consistent integrated modeling of combined hybrid discharge-laser produced plasma devices for extreme ultraviolet metrology

Discharge- and laser-produced plasma (DLPP) devices are being used as light sources for extreme ultraviolet (EUV) generation. A key challenge for both, DPP and LPP, is achieving sufficient brightness to support the throughput requirements of nanometrology tools. To simulate the environment of a hybrid DLPP device and optimize the EUV output, we have developed an integrated HEIGHTS-DLPP computer simulation package. The package integrates simulation of two evolving plasmas (DPP and LPP) and includes modeling of a set of integrated self-consistent processes: external power source and plasma energy balance, plasma resistive magnetohydrodynamics, plasma heat conduction, detailed radiation transport (RT), and laser absorption and refraction. We simulated and optimized DLPP devices using Xe gas as a target material. We synchronized the external circuit parameters, chamber gas parameters, and laser beam temporal and spatial profiles to achieve maximum EUV output. The full 3D Monte Carlo scheme was integrated for detailed RT and EUV output calculations in Xe using more than 3600 spectral groups. The modeling results are in good agreement with Julich Forschungszentrum experimental data. Theoretical models, developed and integrated into the HEIGHTS package, showed wide capabilities and flexibility. In conclusion, the models and package can be used for optimization of the experimental parameters and settings, investigation of DLPP devices with complex design, analyzing the impact of integrated spatial effects and working timeline arrangement on the final EUV output, and EUV source size, shape, and angular distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Optimizing Piezoelectric Nanocomposites by High‐Throughput Phase‐Field Simulation and Machine Learning

Abstract Piezoelectric nanocomposites with oxide fillers in a polymer matrix combine the merit of high piezoelectric response of the oxides and flexibility as well as biocompatibility of the polymers. Understanding the role of the choice of materials and the filler‐matrix architecture is critical to achieving desired functionality of a composite towards applications in flexible electronics and energy harvest devices. Herein, a high‐throughput phase‐field simulation is conducted to systematically reveal the influence of morphology and spatial orientation of an oxide filler on the piezoelectric, mechanical, and dielectric properties of the piezoelectric nanocomposites. It is discovered that with a constant filler volume fraction, a composite composed of vertical pillars exhibits superior piezoelectric response and electromechanical coupling coefficient as compared to the other geometric configurations. An analytical regression is established from a linear regression‐based machine learning model, which can be employed to predict the performance of nanocomposites filled with oxides with a given set of piezoelectric coefficient, dielectric permittivity, and stiffness. This work not only sheds light on the fundamental mechanism of piezoelectric nanocomposites, but also offers a promising material design strategy for developing high‐performance polymer/inorganic oxide composite‐based wearable electronics.

42 ENGINEERING↗
DOE OSTI2019

Numerical simulation of Water-alternating-gas Process for Optimizing EOR and Carbon Storage

Carbon dioxide (CO 2 ) generated by fossil fuel combustion can have serious consequences for humans and environments. Carbon capture, utilization and geological storage (CCUS) is a key approach to reduce the emissions of the anthropogenic CO 2 into the atmosphere. Of those, sequestering the CO 2 into depleted hydrocarbon reservoirs with associated enhanced oil recovery is the most achievable approach under current economic constraints since it increases recovery of existing oil reserves, and bridges the gap between nonprofit geological CO 2 sequestration and profit CO 2 -EOR. The Upper Devonian fluvial sandstone reservoir in Jacksonburg-Stringtown oil field in West Virginia, which has produced over 22 million barrels of oil since 1895, is an ideal candidate for CO 2 sequestration coupled with EOR. This research illustrates an example of CCUS, in which CO 2 is sequestered into underground meanwhile enhanced oil recovery from the depleted hydrocarbon reservoir by water alternating gas (WAG) strategy. Three CO 2 storage mechanisms including structural/stratigraphic trapping, dissolution trapping, and residual trapping are considered. A 3D geological model is constructed based on existing geological data from the Jacksonburg-Stringtown oil field. A 3D composition fluid model with 0.4 pore volume (PV) of water injection before WAG process is considered as a benchmark of this study. Several factors including WAG cycle period, injection time ratio, CO 2 injection rate are evaluated. After injection wells are completely shut-in, stored CO 2 is monitored for additional 200 years as a function of various storage mechanisms. The result shows that over 6 years of WAG injection, total 12 - 40 MMlb-mol CO 2 is sequestrated and oil recovery factor can achieve 28%. As a conclusion, this research constructs a basic workflow for CO 2 storage coupled with CO 2 -EOR which can be applied to other super-mature oil fields.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Quantum State Transfer between Heterogeneous 3D QPUs

We present detailed analyses and microwave simulations of a quantum interconnect architecture that couples two distinct three-dimensional quantum processing units (QPUs): (i) a two-cell superconducting radio-frequency (SRF) cavity coupled to multiple transmon qubits and (ii) a waveguide-based cavity hosting a planar circuit with transmons and resonators. The modules are linked via a low-loss superconducting coaxial cable, which serves as a quantum bus. Finite-element electromagnetic simulations are performed to optimize coupling strengths and mode frequencies for high-fidelity quantum state transfer between cavities. These simulation results provide a comprehensive blueprint for the experimental realization of a flexible quantum interconnect architecture, coupling heterogeneous QPUs.

Yaker, Joey [Fermilab]↗
DOE OSTI2017

Optimizing the UED beam line design via ImpactT simulation

The high charge low energy compressor system developed at NSLS-II can generate 5MeV electron bunches with 50pC charge (10 -8 electrons) focusing to 30 micron beam size and bunch length of order of 100 fs. NSLS-II plans to build it as part of the existing instrument for the ultra-fast electron diffraction (UED) and ultra-fast electron microscope (UEM) experiments to be installed at ATF-II, BNL. The expected intensity will be several orders of magnitudes higher than achieved previously using current technology (~10 -4 -10 -5 electrons). This type of accelerator based MeV electron microscopes, taking advantage of strong interaction of electrons with matter and overcoming space charge problem, are complementary to XFEL, such as LCLS.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-order algorithmic developments and optimizations for large-scale GPU-accelerated simulations (Milestone CEED-MS36)

The goal of this milestone was to improve the high-order software ecosystem for CEED-enabled ECP applications by making progress on efficient matrix-free kernels targeting forthcoming ECP architectures. These kernels included matrix-free preconditioning and the development of new set of CEED solver bake-off problems. As part of this milestone, we also released the next version of the CEED software stack, CEED-4.0, reported on results from several application collaborations, and documented the efforts of porting to AMD GPUs for Frontier and other modern architectures, such as Fugaku. The specific tasks addressed in this milestone were: (1) Port and run CEED benchmarks/miniapps on Frontier EA systems; (2) Demonstrate performant libCEED integration in MFEM, Nek and applications; (3) Matrix-free preconditioning of high-order operators; (4) Benchmark problems for fast high-order solvers on GPU platforms; and (5) Public release of CEED-4.0. The artifacts delivered include the next version of the CEED software stack, CEED-4.0, the next libCEED release, libCEED-0.8, and a number of developments integrated within applications to improve their GPU and CPU performance and capabilities. See the CEED website, https://ceed.exascaleproject.org and the CEED GitHub organization, https://github.com/ceed for more details.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

New Developments and Capabilities Within WEC-Sim

WEC-Sim is an open-source software for simulating wave energy converters and has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory and Sandia National Laboratories within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with the latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1, which spans a 2-year period from June 2020 to September 2022. New features described here include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗
NASA NTRSDate not supplied

Exploitation of a Validation Hierarchy for Modeling and Simulation

Across engineering there is an evolving need to increase reliance on physics-based simulation to develop, design and optimize engineering systems. This increased reliance on modeling and simulation has highlighted a growing need to transform the confidence that modeling and simulation analysts have in their results into credibility for systems engineers to design and field systems more quickly and with less physical testing. For isolated components of a complex system, where a single discipline may drive product design, this is less of a concern as the relationship is often straightforward and easy to explain. However, when these isolated components are integrated, and are expected to operate in a multi-disciplinary context in which safety critical systems are involved, new concepts and model assurance standards are required. In this paper we address this challenge by showing how a model validation hierarchy can be exploited to identify those model validation experiments that will contribute most to increasing confidence and credibility of modeling and simulation predictions. The approach that is adopted contains four main steps. The first step is the construction of a model validation hierarchy that links subsystems, assemblies, and components to a hierarchy of physical experiments that can be used support model validation. This hierarchy connects the concerns of systems engineers to those of the modeling and simulation analyst in a clear and logical way. The structure and content of this hierarchy is then used in a second step to establish which physical phenomena have the greatest impact on overall system performance metrics. A gap analysis technique, based upon modeling and simulation concerns, is then used to prioritize the important physical phenomenon. Unfortunately, a common outcome of such gap analyses is the identification of many important gaps and so, in the final step of our process, we advocate the use of a global sensitivity analysis as a means to complete the prioritization.

Verification and Validation↗