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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

An electron Bernstein wave heating scheme for the Proto-MPEX linear device

Linear plasma devices, such as the Prototype Material Plasma Exposure eXperiment (Proto-MPEX), are an economic method to study plasma-material interactions under high heat and particle fluxes. The Proto-MPEX device at Oak Ridge National Laboratory is a high-density helicon plasma generator with additional resonant electron heating to study plasma-material interactions in ITER-like conditions. Here, we present modeling results of an electron Bernstein wave (EBW) heating scheme for this device using a microwave-based system. A 28 GHz injection system is available to provide power levels up to 100 kW injected into low electron temperature and high electron density plasmas. A modified version of the GENRAY ray-tracing code, GENRAY-C, has been used to determine the EBW and electron cyclotron heating wave accessibility for these overdense plasmas. Modeling has shown that greater than 80% of mode conversion from the ordinary mode to the EBW is possible for 28 GHz injection in Proto-MPEX. Calculations show that by utilizing the effects of Doppler-shifted resonance absorption, power deposition near the core is possible. Finally, significant collisional damping, leading to edge absorption, is expected to occur for neutral pressures >1.0 mTorr; however, experiments can be designed to minimize these effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Multiscale Approach to Fast ModSim for Laser Processing of Metals for Future Nuclear Deterrence Environments

Predicting performance of parts produced using laser-metal processing remains an out- standing challenge. While many computational models exist, they are generally too computationally expensive to simulate the build of an engineering-scale part. This work develops a reduced order thermal model of a laser-metal system using analytical Green's function solutions to the linear heat equation, representing a step towards achieving a full part performance prediction in an "overnight" time frame. The developed model is able to calculate a thermal history for an example problem 72 times faster than a traditional FEM method. The model parameters are calibrated using a non-linear solution and microstructures and residual stresses calculated and compared to a non-linear case. The calibrated model shows promising agreement with a non-linear solution.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Recent Testing of ENDF/B-VIII.0 at ORNL [Slides]

This presentation provides an overview of comparisons of ENDF/B-VII.1 and ENDF/B-VIII.0 and uses VALID suite to test >600 cases with ENDF/B-VII.1 and ENDF/B-VIII.0 in KENO V.a/KENO-VI, although a limited number of cases have been tested with TSUNAMI. It provides a results summary of KENO V.a/KENO-VI with a pooled results summary. The presentation also discusses changes for LCT experiments, MCT experiments, MST experiments, and PST experiments. A few words about graphite are also provided and the presentation states that graphite performance investigated across ENDF/B-VII.0, ENDF/B-VII.1, and ENDF/B-VIII.0 for MSR and HTGR models. A brief summary of the results is presented to make sure the Validation Committee is aware of the work. Also presented is an Eigenvalue comparison with a graphite moderated system, and comparison between an HTR-10 pebble model ENDF/B-VII.1 vs. ENDF/B-VIII.0, which provides different graphite data. In conclusion, ORNL has recently completed a comparison of ENDF/B-VIII.0 and ENDF/B-VII.1 using the VALID library. Work is also being performed for advanced reactor applications. Other efforts on-going and they are also trying to investigate more intermediate spectrum cases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1989

Dynamics of planetary-scale baroclinic waves during Southern Hemisphere winter

The characteristics of linear and finite amplitude baroclinic waves during Southern Hemisphere winter were investigated using a three-dimensional global primitive-equation spectral mode, with emphasis on the dynamics of planetary scale modes which propagate into the stratosphere. Linear stability computations showed that the winter zonally averaged basic state is baroclinically unstable, with the most unstable modes being Charney-type modes; however, the results showed that Green-type modes also exist; these give much larger relative amplitude in the stratosphere although they have smaller growth rates. The results suggest that the existence of both Charney and Green modes might explain certain observed properties of the eastward traveling waves, such as the lack of coherence between troposphere and stratosphere at zonal wavenumbers 1 and 2.

Young, Richard E.↗
NASA NTRSDate not supplied

Coronado Ecological Conservation: Assessing Vegetation Change Due to Border Wall Construction and Shifting Social Trails

Species monitoring is essential in mitigating the impacts of plant invasion, such as radical changes in an area’s ecosystem, degraded soil health, increased wildfire severity, landslides, and increased flooding. NASA DEVELOP partnered with the National Park Service (NPS) to investigate invasive species in disturbed lands: specifically, areas affected by off-trail walking and US-Mexico border construction activities. The team assessed how construction has impacted the distribution of Lehmann’s lovegrass and Russian thistle invasives throughout Coronado National Memorial, AZ from 1986 to 2022. Using data from Landsat 5 and 8, Sentinel-2, the National Agriculture Imagery Program, and PlanetScope, the team computed vegetation indices including the Normalized Difference Vegetation Index, Normalized Difference Moisture Index, Modified Soil Adjusted Vegetation Index 2, Enhanced Vegetation Index, and Tasseled Cap Wetness, Brightness, and Greenness transformations as vegetation health indicators to input into various machine learning algorithms. To minimize noise, the team conducted Principal Component Analysis on the vegetation indices and spectral bands before running k-means++ clustering and random forest classification algorithms. Between all datasets, we found the median area fully overtaken by invasive plants was 5.37% of the park’s total area in 2022. The NPS will use the end products to help increase restoration efforts in disturbed areas with high concentrations of invasive plants. The NPS’s collection of ground data for 2022–2023, in conjunction with future data collection, will notably improve the accuracy of classification models, leading to more precise monitoring of invasive spread over time.

Carson Schuetze↗
DOE OSTI2014

TH-C-12A-01: Develop a Patient-Specific QA Program for Radiation Therapy with On-Board MRI

Purpose: This work describes development of the first patient-specific quality assurance (QA) program for magnetic resonance imaging guided radiation therapy (MR-IGRT). Methods: The program consisted of following components: 1) multipoint ionization chamber (IC) measurement using a 15 cm3 cubic phantom, 2) 2D stacked radiographic film dosimetry using a 30×30×20 cm3 phantom with multiple inserted ICs, 3) 3D ArcCHECK measurement with a centrally inserted IC, 4) machine delivery file verification, 5) 3D Monte-Carlo dose re-calculation with machine delivery file and phantom CT, 6) 2-head mode delivery validation in case of a malfunctioning head, and 7) independent beam-on time calculation for non-IMRT fields. Both ADCL calibrated ICs and ArcCHECK were MRI compatible. Experimental data were analyzed for the first 10 patients treated at our institution. Results: The customized phantoms allowed measuring multiple points with ICs in one delivery. Absolute IC measurements were all within 3% in all phantom geometry/shape/material combinations. Despite known uncertainty associated with film dosimetry, passing rates greater than 90% were achieved in both absolute and composite modes using TG-129 criteria. Due to the simultaneous irradiation by three radiation sources, ArcCHECK was used as a 3D relative dosimeter with angular and energy dependences uncorrected. 95–100% passing rates were obtained and the centrally inserted IC measurement assured that the overall dose normalization was within 3%. Machine delivery file verification and MC recalculated dose to the phantom results showed 98–100% passing rates, providing opportunity of moving from gamma passing rates to patient DVHbased QA metrics. Same results were obtained for the 2-head delivery mode. Manual beam-on time calculation for non-IMRT fields showed better than 5% agreement. Conclusion: We have successfully developed the first MRIGRT patient specific QA program by adopting experimental and computational dosimetry methods that were developed in the past decade for other radiation therapy modalities.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1993

Space Station Freedom electrical performance model

The baseline Space Station Freedom electric power system (EPS) employs photovoltaic (PV) arrays and nickel hydrogen (NiH2) batteries to supply power to housekeeping and user electrical loads via a direct current (dc) distribution system. The EPS was originally designed for an operating life of 30 years through orbital replacement of components. As the design and development of the EPS continues, accurate EPS performance predictions are needed to assess design options, operating scenarios, and resource allocations. To meet these needs, NASA Lewis Research Center (LeRC) has, over a 10 year period, developed SPACE (Station Power Analysis for Capability Evaluation), a computer code designed to predict EPS performance. This paper describes SPACE, its functionality, and its capabilities.

Hojnicki, Jeffrey S.↗
DOE OSTI2021

Variational Monte Carlo Calculations of A ≤ 4 Nuclei with an Artificial Neural-Network Correlator Ansatz

Here, the complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where nonperturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to approximate quantum many-body states in condensed matter and chemistry problems. In this work we introduce a neural-network quantum state ansatz to model the ground-state wave function of light nuclei, and approximately solve the nuclear many-body Schrodinger equation. Using efficient stochastic sampling and optimization schemes, our approach extends pioneering applications of ANNs in the field, which present exponentially scaling algorithmic complexity. We compute the binding energies and point-nucleon densities of A ≤ 4 nuclei as emerging from a leading-order pionless effective field theory Hamiltonian. We successfully benchmark the ANN wave function against more conventional parametrizations based on two- and three-body Jastrow functions, and virtually exact Green's function Monte Carlo results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Virtual Design Studio (VDS) - Development of an Integrated Computer Simulation Environment for Performance Based Design of Very-Low Energy and High IEQ Buildings

Executive Summary The objective of this study was to develop a “Virtual Design Studio (VDS)”: a software platform for integrated, coordinated and optimized design of green building systems with low energy consumption, high indoor environmental quality (IEQ), and high level of sustainability. This VDS is intended to assist collaborating architects, engineers and project management team members throughout from the early phases to the detailed building design stages. It can be used to plan design tasks and workflow, and evaluate the potential impacts of various green building strategies on the building performance by using the state of the art simulation tools as well as industrial/professional standards and guidelines for green building system design. Engaged in the development of VDS was a multi-disciplinary research team that included architects, engineers, and software developers. Based on the review and analysis of how existing professional practices in building systems design operate, particularly those used in the U.S., Germany and UK, a generic process for performance-based building design, construction and operation was proposed. It distinguishes the whole process into five distinct stages: Assess, Define, Design, Apply, and Monitoring (ADDAM). The current VDS is focused on the first three stages. The VDS considers building design as a multi-dimensional process, involving multiple design teams, design factors, and design stages. The intersection among these three dimensions defines a specific design task in terms of “who”, “what” and “when”. It also considers building design as a multi-objective process that aims to enhance the five aspects of performance for green building systems: site sustainability, materials and resource efficiency, water utilization efficiency, energy efficiency and impacts to the atmospheric environment, and IEQ. The current VDS development has been limited to energy efficiency and IEQ performance, with particular focus on evaluating thermal performance, air quality and lighting environmental quality because of their strong interaction with the energy performance of buildings. The VDS software framework contains four major functions: 1) Design coordination: It enables users to define tasks using the Input-Process-Output flow approach, which specifies the anticipated activities (i.e., the process), required input and output information, and anticipated interactions with other tasks. It also allows task scheduling to define the work flow, and sharing of the design data and information via the internet. 2) Modeling and simulation: It enables users to perform building simulations to predict the energy consumption and IEQ conditions at any of the design stages by using EnergyPlus and a combined heat, air, moisture and pollutant simulation (CHAMPS) model. A method for co-simulation was developed to allow the use of both models at the same time step for the combined energy and indoor air quality analysis. 3) Results visualization: It enables users to display a 3-D geometric design of the building by reading BIM (building information model) file generated by design software such as SketchUp, and the predicted results of heat, air, moisture, pollutant and light distributions in the building. 4) Performance evaluation: It enables the users to compare the performance of a proposed building design against a reference building that is defined for the same type of buildings under the same climate condition, and predicts the percent of improvements over the minimum requirements specified in ASHRAE Standard 55-2010, 62.1-2010 and 90.1-2010. An approach was developed to estimate the potential impact of a design factor on the whole building performance, and hence can assist the user to identify areas that have most pay back for investment. The VDS software was developed by using C++ with the conventional Model, View and Control (MVC) software architecture. The software has been verified by using a simple 3-zone case building. The application of the VDS concepts and framework for building design and performance analysis has been illustrated by using a medium-sized, five story office building that received LEED Platinum Certification from USGBC.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1974

Monitoring the vernal advancement and retrogradation (green wave effect) of natural vegetation

The author has identified the following significant results. Primary emphasis during the period has been given to completing the resource and land use mask overlays for ultimate subsite MSS data extraction and analysis, refining the computer mask program, verifying resultant masks, and evaluating the initial subsite data. Standard deviations for the selected subsites were generally reduced significantly when compared to the values for the overall 7km x 7km test site areas. This indicates that the masking technique has been successful in reducing the variability of the ERTS-1 MSS data for ultimate subsite comparisons with ground data. The techniques used to locate the 7km x 7km test site areas and extract masked subsite data apparently limit the ability to reliably locate identical very small subsite areas for temporal comparisons. Current evidence indicates that areas which include less than about four pixel elements in either dimension are probably unreliable.

Rouse, J. W., Jr.↗
DOE OSTI2025

Dissipation Pathways in a Photosynthetic Complex

Determining how energy flows within and between molecules is crucial for understanding chemical reactions, material properties, and even vital processes such as photosynthesis. While the general principles of energy transfer are well established, elucidating the specific molecular pathways by which energy is funneled remains challenging, as it requires tracking energy flow in complex molecular environments. Here, we demonstrate how photon excitation energy is partially dissipated in the light-harvesting Fenna–Matthews–Olson (FMO) complex, mediating the excitation energy transfer from light-harvesting chlorosomes to the photosynthetic reaction center in green sulfur bacteria. Specifically, we isolate the contribution of the protein and specific vibrational modes of the pigment molecules to the energy dynamics. For this, we introduce an efficient computational implementation of a recently proposed theory of dissipation pathways for open quantum systems, based on second-order perturbation theory in the electronic couplings. Using it and a state-of-the-art FMO model with highly structured and chromophore-specific spectral densities, we demonstrate that energy dissipation is dominated by low-frequency modes (<800 cm –1 ) as their energy range is near-resonance with the energy gaps between electronic states of the pigments. We identify the most important modes for dissipation to be in-plane breathing modes (∼200 cm –1 ) of the bacteriochlorophylls in the complex. Conversely, far-detuned intramolecular vibrations with higher frequencies (>800 cm –1 ) play no role in dissipation. Interestingly, the FMO complex first needs to borrow energy from the environment to release excess photonic energy, indicating that the energy exchange between the system and thermal environment is not strictly unidirectional in time but involves a transient thermally activated step. Beyond their fundamental value, these insights can guide the development of artificial light-harvesting devices and, more broadly, engineer environments for chemical and quantum control tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Exciton-Defect Interaction and Optical Properties from a First-Principles T-Matrix Approach

Understanding exciton-defect interactions is critical for optimizing optoelectronic and quantum information applications in many materials. However, ab initio simulations of material properties with defects are often limited to high defect density. Here, we study effects of exciton-defect interactions on optical absorption and photoluminescence spectra in monolayer MoS 2 using a first-principles T-matrix approach. We demonstrate that exciton-defect bound states can be captured by the disorderaveraged Green’s function with the T-matrix approximation and further analyze their optical properties. Our approach yields photoluminescence spectra in good agreement with experiments and provides a new, computationally efficient framework for simulating optical properties of disordered 2D materials from firstprinciples.

T-matrix↗
DOE OSTI2024

Moduli axions, stabilizing moduli, and the large field swampland conjecture in heterotic M-theory

We compute the F- and D-term potential energy for the dilaton, complex structure, and Kähler moduli of realistic vacua of heterotic M-theory compactified on Calabi-Yau threefolds where, for simplicity, we choose ℎ 1,1 = ℎ 2,1 = 1. However, the formalism is immediately applicable to the “universal” moduli of Calabi-Yau threefolds with ℎ 1,1 = ℎ 1,2 > 1 as well. The F-term potential is computed using the nonperturbative complex structure, gaugino condensate and “world sheet instanton” superpotentials in theories in which the hidden sector contains an anomalous U⁡(1) structure group. The Green-Schwarz anomaly cancellation induces inhomogeneous “axion” transformations for the imaginary components of the dilaton and Kähler modulus—which then produce a D-term potential. V D is a function of the real components of the dilaton and Kähler modulus (s and t) that is minimized and precisely vanishes along a unique line in the s–t plane. Excitations transverse to this line have a mass m anom which is an explicit function of t. The F-term potential energy is then evaluated along the V D = 0 line. For values of t small enough that m anom ≳ M U —where M U is the compactification scale—we plot V F for a realistic choice of coefficients as a function of the Pfaffian parameter p. We find values of p for which V F has a global minimum at negative or zero vacuum density or a metastable minimum with positive vacuum density. In all three cases, the s, t, and associated “axion” moduli are completely stabilized. Finally, we show that, for any of these vacua, the large t behavior of the potential energy satisfies the “large scalar field” Swampland conjecture.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Final Technical Report: In-Silico Heterogeneous Catalyst Design for GHG Reduction via Bulk Chemicals

This project has advanced the understanding of ammonia synthesis by developing novel thermochemical catalysts, setting a new benchmark for energy and carbon efficiency in large-scale bulk chemicals production. This research leverages a proprietary computational discovery platform and high-throughput experimental validation, significantly accelerating catalyst optimization and enabling ammonia synthesis at lower temperature and pressure conditions than conventional processes. As a result, green ammonia can be produced at a cost that meets or exceeds established targets, supporting a viable pathway toward decarbonized ammonia for fuel, fertilizers, and hydrogen supply applications.

Grose, Jacob E [Copernic Catalysts, Inc.]↗
DOE OSTI2022

Hybrid quantum-classical approach for coupled-cluster Green's function theory

The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of time evolution and measurements are well known, many state preparation methods are strongly system-dependent and require prior knowledge of the system's eigenvalue spectrum. Here, we report on a quantum-classical implementation of the coupled-cluster Green's function (CCGF) method, which replaces explicit ground state preparation with the task of applying unitary operators to a simple product state. While our approach is broadly applicable to many models, we demonstrate it here for the Anderson impurity model (AIM). The method requires a number of T gates that grows as O ( N 5 ) per time step to calculate the impurity Green's function in the time domain, where N is the total number of energy levels in the AIM. Since the number of T gates is analogous to the computational time complexity of a classical simulation, we achieve an order of magnitude improvement over a classical CCGF calculation of the same order, which requires O ( N 6 ) computational resources per time step.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Hierarchical Particle Mesh: An FFT-accelerated Fast Multipole Method

I observe a modification to the original Fast Multipole Method (FMM) of Greengard & Rokhlin that approximates the gravitation field of an FMM cell as a small uniform grid (a “gridlet”) of effective masses. The effective masses on a gridlet are set from the requirement that the multipole moments of the FMM cells are reproduced exactly, thus preserving the accuracy of the gravitational field representation. The measurement of the gravitational field from a multipole expansion can then be computed for all multipole orders simultaneously, with a single Fast Fourier Transform, significantly reducing the computational cost at a given value of the required accuracy. The described approach belongs to the class of “kernel independent” variants of the FMM method and works with any Green function.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Analysis of axisymmetrical vibration of a partially liquid-filled elastic sphere by the method of Green's function

The longitudinal dynamic behavior of launch vehicles is largely determined by their huge liquid propellant masses which are spring supported by the elastic tank walls. Throughout much of the powered flight time, these masses constitute a high percentage of the entire vehicle mass and, therefore, may dominate the fundamental modes of the vehicle. In this report, a spherical container is considered. The analysis is based on a Galerkin approach, in the course of which a second-order differential equation must be solved. The solution has been obtained by the method of Green's function. This method is favorable because it displays the manner in which the analysis can be extended to partially liquid-filled general shells of revolution. The computer programs currently available for partially liquid-filled propellant tanks are based on the finite element methods and result in analytical models having as many as several hundred degrees of freedom. The method applied in this report results in a model having less than 10 degrees of freedom as can be shown by numerical evaluation. Therefore, it will be possible to analyze propellant tanks using much less computer time with comparable accuracy.

Glaser, R. F.↗