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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Slycat Enables Synchronized 3D Comparison of Surface Mesh Ensembles [Brief]

In support of analyst requests for Mobile Guardian Transport studies, researchers at Sandia National Laboratories have expanded data types for the Slycat ensemble-analysis and visualization tool to include 3D surface meshes. This new capability represents a significant advance in our ability to perform detailed comparative analysis of simulation results. Analyzing mesh data rather than images provides greater flexibility for post-processing exploratory analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Interactive automated Bragg peak identification with 3D neutron scattering data

Neutron scattering experiments have undergone significant technological development through large area detectors with concurrent enhancements in neutron transport and electronic functionality. Data collected for neutron events include detector pixel location in 3D, time and associated metadata, such as, sample orientation, neutron wavelength, and environmental conditions. RadiaSoft and Oak Ridge National Laboratory personnel are considering single-crystal diffraction data from the TOPAZ instrument. We are leveraging a new method for rapid, interactive analysis of neutron data using NVIDIA’s IndeX 3D volumetric visualization framework. We have implemented machine learning techniques to automatically identify Bragg peaks and separate them from diffuse backgrounds and analyze the crystalline lattice parameters for further analysis. The implementation of automatic peak identification into IndeX allows scientists to visualize and analyze data in real-time. Our methods include a robust comparison with current analysis techniques which show improvement in a variety of aspects. These improvements will be incorporated into IndeX for visualization to allow scientists an interactive tool for crystal analysis.

Kilpatrick, Matthew↗
DOE OSTI2022

Exchange-biased topological transverse thermoelectric effects in a Kagome ferrimagnet

Abstract Kagome metal TbMn 6 Sn 6 was recently discovered to be a ferrimagnetic topological Dirac material by scanning tunneling microscopy/spectroscopy measurements. Here, we report the observation of large anomalous Nernst effect and anomalous thermal Hall effect in this compound. The anomalous transverse transport is consistent with the Berry curvature contribution from the massive Dirac gaps in the 3D momentum space as demonstrated by our first-principles calculations. Furthermore, the transverse thermoelectric transport exhibits asymmetry with respect to the applied magnetic field, i.e., an exchange-bias behavior. Together, these features place TbMn 6 Sn 6 as a promising system for the outstanding thermoelectric performance based on anomalous Nernst effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Preliminary Monte Carlo and Thermal Hydraulic Analysis using a Hybrid ETF-Corrected-Diffusion Prediction Block

This paper builds upon previous work to accelerate the Picard iteration (PI) method typically applied for coupled Monte Carlo-Thermal hydraulic (MC-TH) solutions. Previously, the use of the generalized transfer functions (GTFs) to predict variation in macroscopic cross sections following a perturbation in TH properties was demonstrated for a subset of simple 3D problems. In addition, the reduced-order transport prediction block relied on the first order perturbation (FOP) method, which was shown to have computational overheads. Recent work replaced the FOP block with a 1-group nodal diffusion solver to eliminate these overheads. While the use of diffusion is desirable for large-scale problems, the new solver introduces significant homogenization error. This work aims to address this issue by using the Jacobian-Free Newton Krylov (JFNK) method to generate a set of super homogenization (SPH) factors to improve the accuracy of the diffusion solution. The SPH factors will be used in conjunction with an improved cross section prediction method – the expanded transfer function (ETF) method – to produce a highly accurate flux prediction for an axial 1D boiling water reactor (BWR) pincell following a large perturbation in moderator density. The ETF-corrected diffusion (ETF-CD) block is shown to be highly accurate for the 1D test case. Future work will investigate the accuracy of the method for a realistic 3D pressurized water reactor core.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A 3D nm-thin biomimetic membrane for ultimate molecular separation

Multi-functional membranes with high permeance and selectivity that can mimic nature's designs have tremendous industrial and bio-medical applications. In this paper, we report a novel concept of a 3D nanometer (nm)-thin membrane that can overcome the shortcomings of conventional membrane structures. Our 3D membrane is composed of two three-dimensionally interwoven channels that are separated by a continuous nm-thin amorphous TiO 2 layer. This 3D architecture dramatically increases the surface area by 6000 times, coupled with an ultra-short diffusion distance through the 2–4 nm-thin selective layer that allows for ultrafast gas and water transport, ~900 l m –2 h –1 bar –1 . The 3D membrane also exhibits a very high ion rejection (R ~ 100% for potassium ferricyanide) due to the combined size- and charge-based exclusion mechanisms. The combination of high ion rejection and ultrafast permeation makes our 3DM superior to the state-of-the-art high-flux membranes whose performances are limited by the flux-rejection tradeoff. Furthermore, its ultimate Li+ selectivity over polysulfide or gas can potentially solve major technical challenges in energy storage applications, such as lithium–sulfur or lithium–O 2 batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Heat transfer and transport property contrast effects on the compressible Rayleigh-Taylor instability

In extreme environments, the Rayleigh-Taylor instability (RTI) may occur under large variations in density and temperature and with fluid transport properties strongly dependent on temperature. Direct numerical simulations of the 3D fully compressible RTI are conducted, examining the idealized configuration of a hotter, less dense fluid pushing against a colder, denser fluid. Various temperature ratios and transport property configurations are explored to examine how heat conduction, large variations in transport properties, and sudden changes in transport properties can affect the evolution of the mixing layer. Nonuniform fluid expansion and contraction induced by heat transfer can significantly affect local density differences and overall instability growth, causing profile asymmetries about the initial interface for flow and mixing statistics. The departures from classical self-similar development of the instability along with misalignment between regions of mixing and regions of most intense turbulent activity caused by both heat transfer and transport property contrasts are examined. After sudden changes in fluid transport properties, which may occur as a result of rapid heating (e.g., in inertial confinement fusion), the flow quickly responds and begins to relax towards quasi-self-similar late-time evolution. For many dynamical quantities such as vorticity and dissipation, this late-time evolution resembles that of the configuration that already started with the final transport property magnitudes, suggesting that these quantities depend only on the transport properties and not on past flow history, provided that the density field distributions for the flows remain similar. On the other hand, the mixing evolution after the transport property change is unique, implying that both property magnitudes and previous history are impactful on the mixing. In conclusion, these simulations demonstrate how various temperature-related effects are extremely important to consider in compressible RTI flows with large temperature variations.

42 ENGINEERING↗
DOE OSTI2025

Global Simulations of Gravitational Instability in Protostellar Disks with Full Radiation Transport. II. Locality of Gravitoturbulence, Clumpy Spirals, and Implications for Observable Substructure

Spiral perturbations in a gravitationally unstable accretion disk regulate disk evolution through angular momentum transport and heating and provide an observational signature of gravitational instability (GI). We use global 3D simulations to systematically characterize and understand these spiral perturbations. The spiral perturbations and the resulting transport are overall insensitive to the cooling type, with the exception that radiative cooling, especially in the optically thick regime, reduces the amplitude of temperature perturbations. Spiral perturbations are localized around corotation, allowing transport to be approximated by a local α viscosity to zeroth order in aspect ratio (H/R), but only after averaging over multiple orbits in time and/or multiple scale heights in space. Meanwhile, large-amplitude perturbations from strong gravitoturbulence can cause $\mathcal{O}$(α 1/2 ) deviation in the cooling rate of the disk. We develop empirical prescriptions for the angular momentum transport, heating, and cooling in a gravitoturbulent disk that capture the deviation from a viscous, unperturbed disk to first order in H/R and α 1/2 . The spiral perturbations in saturated gravitoturbulence are clumpy, with dense clumps forming through the nonlinear coupling between multiple modes at different m. Observationally, the clumpy gravitoturbulence produced by saturated GI can be mistaken with observational noise or embedded companions, especially under finite resolution. Meanwhile, grand-design spirals with m-fold symmetry may be uncommon among disks in saturated gravitoturbulence, and we speculate that they may instead be a signature of recently triggered or decaying GI.

Gravitational instability↗
DOE OSTI2026

Implementation of a Three-Dimensional Planetary Boundary Layer Parameterization in a Coupled Modeling System and Evaluation of "Gray Zone" Simulations of a Wind-Wave Event Off the US California Coast Using Observations

A three-dimensional (3D) planetary boundary layer (PBL) parameterization was added to the Coupled Ocean Atmosphere Wave Sediment Transport (COAWST) model and the first coupled atmosphere/wave "gray zone" simulations were carried out using the 3D PBL parameterization. A case study of a significant wind-wave event from 4-8 November 2020 off the US west coast was examined, with a focus on the impacts of the event within an approximate 280x280 km central California coastal region covering the Bureau of Ocean Energy Management Morro Bay wind energy lease area. Simulations with both one-dimensional (1D; Yonsei University) and 3D PBL parameterizations were examined in this nest with ..delta..x=400 m. Two-way coupling was active, with near-surface winds feeding back to the wave model and bulk wave statistics feeding back to the atmospheric model. Both simulations compared favorably with buoy observations in capturing the timing and magnitude of wind speed, temperature, dewpoint, and significant wave height, as the front associated with the maritime weather system moved southward across coastal California. However, wind speed errors over land were larger. Time series of the vertical profile of winds below z=250 m from the simulations compared favorably with observations from the US Dept. of Energy Morro Bay Doppler lidar buoy. Differences between the coupled 1D and 3D PBL simulations were minor. The most notable difference was that the simulation using the 3D PBL parameterization had approximately 10 % weaker winds at the peak of the event causing 10 % lower significant wave heights. This difference was shown to be mostly due to differences in the vertical mixing treatment between the parameterizations, in particular the nonlocal downward mixing of higher momentum air in the 1D Yonsei University parameterization in convective conditions. Overall, this work demonstrates that the 3D PBL parameterization can be used in a coupled atmosphere/wave modeling framework with similar behaviors as traditional PBL parameterizations that do not provide horizontal turbulent variances and fluxes.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Molecular insights into the structure-property relationships of 3D printed polyamide reverse-osmosis membrane for desalination

3D-printing is an emerging method for manufacturing polyamide (PA) reserve osmosis (RO) membranes for water treatment and desalination, which can precisely control membrane structural properties, such as thickness, roughness, and resolution. However, the synthesis-structure (i.e., degree of cross-linking (DC), m-phenylenediamine/trimesoyl chloride (MPD/TMC) ratio, and membrane thickness) to property (permeability and water-salt selectivity) relationships for these membranes has not been well understood. At the same time, a microscopic understanding of the physical mechanism of water and salt transport is needed to guide the design of high-performance 3D-printed membranes and improve the printing efficiency. Furthermore, the atomic-scale transport features and energetics of water and salt ions are studied at high pressure for the 3D-printed PA RO membranes with the different DCs and MPD/TMC ratios through non-equilibrium molecular dynamics (NEMD) simulations. Factoring in membrane structure properties, rejection ratio of salt ions and pressure-dependent water flux, 3D-printed PA membranes having an MPD/TMC ratio of 3.0:2.0 and a DC between 80%~90% attains ideal performance: high water flux, high rejection of salt ions, and excellent structural integrity. Mechanistically, water permeability for highly cross-linked PA RO membranes depends on the temporary on-and-off channels that allow water molecules to jump from one cavity to another at high pressure. In addition, higher pressures cause rapid compaction of PA membranes’ free volume and membrane thickness. Membrane failure at high pressure is determined by the DC and MPD/TMC ratios-dependent compressive yield strength. In short, these findings provide physical insights for optimizing existing PA membranes and designing next-generation desalination membranes at the molecular level.

3D-printed PA RO membrane↗
NASA NTRS2020

3D Propagation of Relativistic Solar Protons through Interplanetary Space

Context. Solar Energetic Particles (SEPs) with energy in the GeV range can propagate to Earth from their acceleration region near the Sun and produce Ground Level Enhancements (GLEs). The traditional approach to interpreting and modelling GLE observations assumes particle propagation only parallel to the magnetic field lines of interplanetary space, i.e. it is spatially 1D. Recent measurements by PAMELA have characterised SEP properties at 1 AU for the ~100 MeV-1 GeV range at high spectral resolution. Aims. We model the transport of GLE-energy solar protons using a 3D approach, to assess the effect of the Heliospheric Current Sheet (HCS) and drifts associated to the gradient and curvature of the Parker spiral. We derive 1 AU observables and compare the simulation results with data from PAMELA. Methods. We use a 3D test particle model including a HCS. Monoenergetic populations are studied first to obtain a qualitative picture of propagation patterns and numbers of crossings of the 1 AU sphere. Simulations for power law injection are used to derive intensity profiles and fluence spectra at 1 AU. A simulation for a specific event, GLE 71, is used to compare with PAMELA data. Results. Spatial patterns of 1 AU crossings and the average number of crossings are strongly influenced by 3D effects, with significant differences between periods of A+ and A- polarities. The decay time constant of 1 AU intensity profiles varies depending on the position of the observer and is not a simple function of the mean free path as in 1D models. Energy dependent leakage from the injection flux tube is particularly important for GLE energy particles, resulting in a rollover in the spectrum.

Solar energetic particles↗
NASA NTRS2020

3D propagation of relativistic solar protons through interplanetary space

Context.Solar energetic particles (SEPs) with energy in the GeV range can propagate to Earth from their acceleration region near the Sun and produce ground level enhancements (GLEs). The traditional approach to interpreting and modelling GLE observations assumes particle propagation which is only parallel to the magnetic field lines of interplanetary space, that is, spatially 1D propagation. Recent measurements by PAMELA have characterised SEP properties at 1 AU for the∼100 MeV–1 GeV range at high spectral resolution. Aims. We model the transport of GLE-energy solar protons using a 3D approach to assess the effect of the heliospheric current sheet(HCS) and drifts associated to the gradient and curvature of the Parker spiral. We derive 1 AU observables and compare the simulation results with data from PAMELA. Methods. We use a 3D test particle model including a HCS. Monoenergetic populations are studied first to obtain a qualitative picture of propagation patterns and numbers of crossings of the 1 AU sphere. Simulations for power law injection are used to derive intensity profiles and fluence spectra at 1 AU. A simulation for a specific event, GLE 71, is used for comparison purposes with PAMELA data. Results. Spatial patterns of 1 AU crossings and the average number of crossings per particle are strongly influenced by 3D effects, with significant differences between periods of A+ and A−polarities. The decay time constant of 1 AU intensity profiles varies depending on the position of the observer and it is not a simple function of the mean free path as in 1D models. Energy dependent leakage from the injection flux tube is particularly important for GLE energy particles, resulting in a rollover in the spectrum.

S. Dalla↗
DOE OSTI2024

Illuminating early-stage dynamics of heavy-ion collisions through photons at RHIC BES energies

Heavy-ion collisions at $\sqrt {^SNN}$~10 GeV probe the QCD phase diagram at large baryon densities. Because the longitudinal Lorentz contraction is small at these collision energies, understanding the dynamics during the early phase of the collision is essential for the subsequent modeling of the system evolution and for constraining the QGP transport properties at finite baryon densities. Direct photons provide undistorted information on early-stage dynamics. We model relativistic heavy-ion collisions at RHIC Beam Energy Scan energies with a hybrid dynamical approach consisting of a 3D-Glauber initial state followed by viscous hydrodynamics and hadronic transport (MUSIC + UrQMD). The implemented thermal photon emission takes into account the enhancement from finite baryon chemical potentials. We show that direct photon spectra and their anisotropic flow coefficients have a strong sensitivity to the early stage of heavy-ion collisions. Thus, they provide constraints on QGP dynamics complementary to those obtained from hadronic observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2014

Design Visualization Internship Overview

This is a report documenting the details of my work as a NASA KSC intern for the Summer Session from June 2nd to August 8th, 2014. This work was conducted within the Design Visualization Group, a Contractor staffed organization within the C1 division of the IT Directorate. The principle responsibilities of the KSC Design Visualization Group are the production of 3D simulations of NASA equipment and facilities for the purpose of planning complex operations such as hardware transportation and vehicle assembly. My role as an intern focused on aiding engineers in using 3D scanning equipment to obtain as-built measurements of NASA facilities, as well as using CATIA and DELMIA to process this data. My primary goals for this internship focused on expanding my CAD knowledge and capabilities, while also learning more about technologies I was previously unfamiliar with, such as 3D scanning. An additional goal of mine was to learn more about how NASA operates, and how the U.S. Space Program operates on a day-to-day basis. This opportunity provided me with a front-row seat to the daily maneuvers and operations of KSC and NASA as a whole. Each work day, I was able to witness, and even take part of, a small building block of the future systems that will take astronauts to other worlds. After my experiences this summer, not only can I say that my goals have been met, but also that this experience has been the highlight of my experience in higher education.

Telescience↗
DOE OSTI2021

Immortal rays: Rethinking random ray neutron transport on GPU architectures

The Random Ray Method (TRRM) is a recently developed adaptation of the Method of Characteristics for neutral particle transport simulations. TRRM has demonstrated excellent performance on 3D nuclear reactor benchmark problems using CPU-based compute systems. When porting to GPU-based systems, however, new performance challenges arise that are unique to processors targeting massive fine-grained parallelism. For smaller problems, or for large problems that are domain decomposed across many computational nodes, the problem size per node has insufficient parallelism to saturate GPU node resources, thus greatly limiting speedup. In this study, we report on a newly developed “immortal ray” variant of TRRM. Here, the immortal ray technique exposes significantly more fine-grained parallelism by fundamentally reformulating the numerical details of ray discretization, resulting in performance tradeoffs with significant overall benefit on GPUs. For very small 2D simulation problems we found the new immortal ray variant allowed for up to a 4.4x speedup when run on a single GPU. For larger 3D simulation problems we found the new variant improved strong scaling by 3x when run on the Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Three-Dimensional Bubble Fluidics in Architected Porous Media

Gas bubble flows in porous media often exhibit complex and seemingly unpredictable behaviors that are difficult to control. This lack of control limits the ability to design effective devices which manage multiphase flows. Here, we show how the design of 3D printed pores can deterministically control the flow path of an injected gas stream. Open cell structures can be designed to shape the gas/liquid interface with fidelity to control how the two phases are distributed throughout a porous material. The distributed gas volume is free to interact physically and chemically with the surrounding liquid phase, an effect we exploit to create a logical control gate to redirect flows within a lattice. This also allows us to design architectures for reactive capture and aerating bioreactors, resulting in patterned boundaries which can make more effective use of the liquid and gas reagents.

3D microfluidics↗
DOE OSTI2025

Deconvoluting sources of variability in aerosol jet printing using light scattering measurements

Aerosol jet printing (AJP) is a digital additive manufacturing technique for hybrid and conformal electronics, where its contactless deposition readily enables patterning over 3D surface topography. However, the complexity of aerosol transport physics makes deposition rate sensitive to process variability, hindering widespread industry adoption. Light scattering measurements have recently been demonstrated as a capable tool for measuring deposition rate in real time, enabling closed-loop control and in-situ qualification frameworks. These inline optical measurements present further opportunity as a diagnostic tool to understand the effects of secondary process parameters affecting vapor–liquid equilibrium and heat and mass transport during deposition. Downstream of the optical measurement cell, changing the sheath gas flow rate, increasing temperature via an inline heater, and adding solvent vapor via a sheath gas bubbler were observed to alter drying physics during sheath-collimation, and thereby impaction efficiency. Further upstream, the introduction of solvent vapor via a carrier gas bubbler and liquid build-up in the printhead were seen to affect the quantitative relationship between the light scattering data and the true deposition rate. Using this information, tightened controls of meaningful secondary parameters were implemented to improve the batch-to-batch consistency for printing a dielectric ink. In addition to advancing AJP process reliability for production, this work demonstrates the capability of inline optical measurements to provide insight into process physics and deconvolute competing mechanisms that underly variability.

additive manufacturing↗
DOE OSTI2022

Cubit for MCNP Unstructured Mesh Analysis of Oktavian Benchmarks

The Monte Carlo N-Particle (MCNP) transport code developed by Los Alamos National Laboratory (LANL) can be used to transport various particles across user defined three dimensional (3D) geometries. Traditionally, these geometries are created as constructive solid geometry (CSG), involving the use of Boolean operators on defined surfaces to create 3D regions known as cells. A newer method of geometry definition in the MCNP code is unstructured mesh (UM) embedded within a CSG cell using the universe and fill repeated-structure features. An MCNP UM calculation requires an MCNP input file and mesh geometry file. The MCNP code cannot be used to generate UM geometry models. A computer-aided design (CAD) software is typically used to construct a solid geometry model, and a CAD file is then imported into a mesh generation software to prepare and generate a mesh model. Some mesh generation software packages have the ability to create a solid geometry and thus a separate CAD software for creating a CAD model is not needed. In this work, Cubit, a geometry creation and meshing software developed by Sandia National Laboratories, is used to construct UM models for MCNP simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗