SEARCH · Search NASA

Results for “Resolution refinement”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Desmearing small-angle scattering data by central moment expansions of instrument resolution

This study introduces an enhanced numerical technique tailored specifically for refining 1D small-angle scattering (SAS) intensity profiles affected by smearing. Our primary objective is to address the resolution blurring commonly encountered in SAS data, particularly in systems with clearly defined correlation peaks whose spread aligns with the width of the resolution function at corresponding Q positions. Unlike previous approaches that expanded the SAS intensity using central moment expansion, the new method focuses on expanding the resolution function itself, thus eliminating artificial oscillations observed in smeared spectra due to limitations inherent in our earlier algorithm. This method is straightforward to implement, computationally efficient and consistently performs well in numerical benchmarking. To illustrate its effectiveness, we present a case study of a lamellar phase characterized by distinct peaks in its small-angle neutron scattering intensities.

central moment expansions↗

NASA NTRS2020

MPAS - Ocean Simulation Quality for Variable-Resolution North American Coastal Meshes

Climate model components utilizing unstructured meshes enable variableresolution, regionally enhanced simulations within global domains. Here we investigate the relationship between mesh quality and simulation statistics using the JIGSAW unstructured meshing library and the Model for Prediction Across ScalesOcean (MPASOcean) with a focus on Gulf Stream dynamics. In the base configuration, the refined region employs 8 km cells that extend 400 km from the coast of North America. This coastal refined region is embedded within a lowresolution global domain, with cell size varying latitudinally between 30 and 60 km. The resolution transition region between the refined region and background mesh is 600 km wide. Three sensitivity tests are conducted: 1) the quality of meshes is intentionally degraded so that horizontal cells are progressively more distorted; 2) the transition region from high to low resolution is steepened; and 3) resolution of the coastal refinement region is varied from 30 km to 8 km. Overall, the ocean simulations are shown to be robust to mesh resolution and quality alterations. Meshes that are substantially degraded still produce realistic currents, with Southern Ocean transports within 0.4% and Gulf Stream transports within 12% of highquality mesh results. The narrowest transition case of 100 km did not produce any spurious effects. Refined regions with high resolution produce eddy kinetic energy and sea surface height variability that are similar to the highresolution reference simulation. These results provide heuristics for the design criteria of variableresolution climate model domains.

Hoch, Kristin E.↗

DOE OSTI2025

Exposing Process‐Level Biases in a Global Cloud Permitting Model With ARM Observations

The emergence of global convective‐permitting models (GCPMs) represents a significant advancement in climate modeling, offering improved representation of deep convection and complex precipitation patterns. In this study, we evaluate the performance of the Simple Cloud‐Resolving E3SM Atmosphere Model (SCREAM) using its doubly periodic configuration (DP‐SCREAM) against large eddy simulations and modern observational data sets from the Atmospheric Radiation Measurement program. We introduce several new transitional cloud regime cases, such as the transition from shallow to deep convection and from stratocumulus to cumulus, as well as cold‐air outbreak scenarios. The results reveal both strengths and limitations of SCREAM, particularly in the accurate simulation of cloud transitions and midlevel convection, with varying degrees of sensitivity to horizontal and vertical resolution. Despite improvements at higher resolutions, key biases remain, including the abrupt transition from shallow to deep convection and the lack of congestus clouds. These findings underscore the need for further refinement in turbulence parameterizations and vertical grid resolution in GCPMs.

Bogenschutz, Peter A. [Lawrence Livermore National↗

NASA NTRS2004

How High is that Dune? A Comparison of Methods Used to Constrain the Morphometry of Aeolian Bedforms on Mars

Methods traditionally used to estimate the relative height of surface features on Mars include: photoclinometry, shadow length and stereography. The MOLA data set enables a more accurate assessment of the surface topography of Mars. However, many small-scale aeolian bedforms remain below the sample resolution of the MOLA data set. In response to this a number of research teams have adopted and refined existing methods and applied them to high resolution (2-6 m/pixel) narrow angle MOC satellite images. Collectively, the methods provide data on a range of morphometric parameters (many not previously available for dunes on Mars). These include dune height, width, length, surface area, volume, longitudinal and cross profiles). This data will facilitate a more accurate analysis of aeolian bedforms on Mars. In this paper we undertake a comparative analysis of methods used to determine the height of aeolian dunes and ripples.

Bourke, M.↗

DOE OSTI2025

Integrating Ultra-Coarse-Grained Protein Models into Accessible Workflows for Multiscale Molecular Dynamics

To capture protein conformational transitions using molecular dynamics (MD), several simulation resolutions covering different spatial and temporal scales are typically needed. All-atom (AA) simulations provide fine resolution, but are computationally infeasible for large systems over longer durations. Coarse-grained (CG) and ultra-coarse-grained (UCG) models have a lower resolution and computational cost while still being able to conserve essential protein features. Prior work on a Multiscale Machinelearned Modeling Infrastructure (MuMMI) combined both AA and CG simulations to study RAS-RAF protein interactions, leveraging CG models for longer time scales and using AA to investigate unusual conformations in greater detail. However, MuMMI is still resource-intensive, and this study aims to maximize exploration of the protein conformational space while reducing computational cost. In this paper, we build on prior work that integrates UCG models based on heterogeneous elastic network modeling (hENM) into the MuMMI workflow. We demonstrate that UCG models enable accurate sampling of protein conformations, focusing on simulating RAS-RAF protein interactions. Using higher-resolution CG Martini simulation data, we can automatically refine intramolecular interactions in UCG models. We present a scalable Python package that uses fluctuations observed in higher-resolution CG Martini simulations to estimate bond coefficients of the UCG model. We built novel machine learning-based backmapping methods to recover more detailed CG Martini structures from UCG structures, using diffusion models to learn the mapping between scales. Finally, we present UCG-mini-MuMMI, an accessible and less compute-intensive version of MuMMI as a resource for the scientific community. Incorporating UCG models into MD studies is applicable to a broad range of systems and proteins, and our study offers insights into the advantages and limitations of these methods.

Chemical structure↗

DOE OSTI2025

Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX

Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

A flow-through gamma detection system for sub-surface radioxenon tracer measurements in LYNM PE1

A continuous flow-through, real-time radioxenon sensor array has been designed to monitor either 127 Xe or 133 Xe tracer gas as part of a series of underground chemical explosions in the Low-Yield Nuclear Monitoring (LYNM) Physics Experiment 1 (PE1). The sensors are pairs of shielded thallium-doped sodium iodide gamma-ray detectors that surround a gas measurement chamber. Each measurement chamber is connected to a sampling location in the geology surrounding the chemical explosion or in the access tunnel. The first experiment in the series, PE1 A, occurred in 2023 and the system quantified the 127 Xe tracer gas in the gas sampling lines for four weeks following the experiment execution. The array generated a set of radioxenon concentration time series with a 15-minute resolution that will be used to refine subsurface gas transport models.

Gamma-ray coincidence detection↗

DOE OSTI2024

Vidyut3d: A Non-Equilibrium Plasma Modeling Tool [SWR-24-101]

Vidyut3d is a massively-parallel plasma-fluid solver for low-temperature plasmas (LTPs) that supports both local field (LFA) and local mean energy (LMEA) approximations, as well as complex gas and surface-phase chemistry. The solver supports 2D and 3D domains, and uses AMReX's adaptive mesh refinement capabilities to increase the grid resolution around complex structures (e.g. streamer heads and sheaths) while maintaining a tractable problem size. Vidyut specializes in simulating various types of gas-phase discharges, as well as plasma/surface interactions and surface chemistry (e.g. for plasma-mediated catalysis applications). The solver also supports hybrid CPU/GPU parallelization strategies, and has demonstrated excellent scaling on various HPC architectures for problem sizes consisting of O(100 M) control volumes.

Sitaraman, Hariswaran↗

NASA NTRS1977

Silicon web process development

Thirty-five (35) furnace runs were carried out during this quarter, of which 25 produced a total of 120 web crystals. The two main thermal models for the dendritic growth process were completed and are being used to assist the design of the thermal geometry of the web growth apparatus. The first model, a finite element representation of the susceptor and crucible, was refined to give greater precision and resolution in the critical central region of the melt. The second thermal model, which describes the dissipation of the latent heat to generate thickness-velocity data, was completed. Dendritic web samples were fabricated into solar cells using a standard configuration and a standard process for a N(+) -P-P(+) configuration. The detailed engineering design was completed for a new dendritic web growth facility of greater width capability than previous facilities.

Duncan, C. S.↗

NASA NTRS1994

On the dynamics of a shock-bubble interaction

We present a detailed numerical study of the interaction of a weak shock wave with an isolated cylindrical gas inhomogenity. Such interactions have been studied experimentally in an attempt to elucidate the mechanisms whereby shock waves propagating through random media enhance mixing. Our study concentrates on the early phases of the interaction process which are dominated by repeated refractions of acoustic fronts at the bubble interface. Specifically, we have reproduced two of the experiments performed by Haas and Sturtevant : M(sub s) = 1.22 planar shock wave, moving through air, impinges on a cylindrical bubble which contains either helium or Refrigerant 22. These flows are modelled using the two-dimensional, compressible Euler equations for a two component fluid (air-helium or air-Refrigerant 22). Although simulations of shock wave phenomena are now fairly commonplace, they are mostly restricted to single component flows. Unfortunately, multi-component extensions of successful single component schemes often suffer from spurious oscillations which are generated at material interfaces. Here we avoid such problems by employing a novel, nonconservative shock-capturing scheme. In addition, we have utilized a sophisticated adaptive mesh refinement algorithm which enables extremely high resolution simulations to be performed relatively cheaply. Thus we have been able to reproduce numerically all the intricate mechanisms that were observed experimentally (e.g., transitions from regular to irregular refraction, cusp formation and shock wave focusing, multi-shock and Mach shock structures, jet formation, etc.), and we can now present an updated description for the dynamics of a shock-bubble interaction.

Quirk, James J.↗

NASA NTRS1999

HALOE Algorithm Improvements for Upper Tropospheric Sounding

This report details the ongoing efforts by GATS, Inc., in conjunction with Hampton University and University of Wyoming, in NASA's Mission to Planet Earth UARS Science Investigator Program entitled "HALOE Algorithm Improvements for Upper Tropospheric Soundings." The goal of this effort is to develop and implement major inversion and processing improvements that will extend HALOE measurements further into the troposphere. In particular, O3, H2O, and CH4 retrievals may be extended into the middle troposphere, and NO, HCl and possibly HF into the upper troposphere. Key areas of research being carried out to accomplish this include: pointing/tracking analysis; cloud identification and modeling; simultaneous multichannel retrieval capability; forward model improvements; high vertical-resolution gas filter channel retrievals; a refined temperature retrieval; robust error analyses; long-term trend reliability studies; and data validation. The current (first-year) effort concentrates on the pointer/tracker correction algorithms, cloud filtering and validation, and multi-channel retrieval development. However, these areas are all highly coupled, so progress in one area benefits from and sometimes depends on work in others.

McHugh, Martin J.↗

NASA NTRS2000

HALOE Algorithm Improvements for Upper Tropospheric Soundings

This report details the ongoing efforts by GATS, Inc., in conjunction with Hampton University and University of Wyoming, in NASA's Mission to Planet Earth UARS Science Investigator Program entitled "HALOE Algorithm Improvements for Upper Tropospheric Sounding." The goal of this effort is to develop and implement major inversion and processing improvements that will extend HALOE measurements further into the troposphere. In particular, O3, H2O, and CH4 retrievals may be extended into the middle troposphere, and NO, HCl and possibly HF into the upper troposphere. Key areas of research being carried out to accomplish this include: pointing/tracking analysis; cloud identification and modeling; simultaneous multichannel retrieval capability; forward model improvements; high vertical-resolution gas filter channel retrievals; a refined temperature retrieval; robust error analyses; long-term trend reliability studies; and data validation. The current (first year) effort concentrates on the pointer/tracker correction algorithms, cloud filtering and validation, and multichannel retrieval development. However, these areas are all highly coupled, so progress in one area benefits from and sometimes depends on work in others.

Thompson, Robert E.↗

NASA NTRS2001

HALOE Algorithm Improvements for Upper Tropospheric Sounding

This report details the ongoing efforts by GATS, Inc., in conjunction with Hampton University and University of Wyoming, in NASA's Mission to Planet Earth UARS Science Investigator Program entitled "HALOE Algorithm Improvements for Upper Tropospheric Sounding." The goal of this effort is to develop and implement major inversion and processing improvements that will extend HALOE measurements further into the troposphere. In particular, O3, H2O, and CH4 retrievals may be extended into the middle troposphere, and NO, HCl and possibly HF into the upper troposphere. Key areas of research being carried out to accomplish this include: pointing/tracking analysis; cloud identification and modeling; simultaneous multichannel retrieval capability; forward model improvements; high vertical-resolution gas filter channel retrievals; a refined temperature retrieval; robust error analyses; long-term trend reliability studies; and data validation. The current (first year) effort concentrates on the pointer/tracker correction algorithms, cloud filtering and validation, and multichannel retrieval development. However, these areas are all highly coupled, so progress in one area benefits from and sometimes depends on work in others.

Thompson, Robert E.↗

NASA NTRS2001

HALOE Algorithm Improvements for Upper Tropospheric Sounding

This report details the ongoing efforts by GATS, Inc., in conjunction with Hampton University and University of Wyoming, in NASA's Mission to Planet Earth Upper Atmospheric Research Satellite (UARS) Science Investigator Program entitled 'HALOE Algorithm Improvements for Upper Tropospheric Sounding.' The goal of this effort is to develop and implement major inversion and processing improvements that will extend Halogen Occultation Experiment (HALOE) measurements further into the troposphere. In particular, O3, H2O, and CH4 retrievals may be extended into the middle troposphere, and NO, HCl and possibly HF into the upper troposphere. Key areas of research being carried out to accomplish this include: pointing/tracking analysis; cloud identification and modeling; simultaneous multichannel retrieval capability; forward model improvements; high vertical-resolution gas filter channel retrievals; a refined temperature retrieval; robust error analyses; long-term trend reliability studies; and data validation. The current (first year) effort concentrates on the pointer/tracker correction algorithms, cloud filtering and validation, and multichannel retrieval development. However, these areas are all highly coupled, so progress in one area benefits from and sometimes depends on work in others.

Thompson, Robert Earl↗

NASA NTRS2003

Crystal structures of pinoresinol-lariciresinol and phenylcoumaran benzylic ether reductases and their relationship to isoflavone reductases

Despite the importance of plant lignans and isoflavonoids in human health protection (e.g. for both treatment and prevention of onset of various cancers) as well as in plant biology (e.g. in defense functions and in heartwood development), systematic studies on the enzymes involved in their biosynthesis have only recently begun. In this investigation, three NADPH-dependent aromatic alcohol reductases were comprehensively studied, namely pinoresinol-lariciresinol reductase (PLR), phenylcoumaran benzylic ether reductase (PCBER), and isoflavone reductase (IFR), which are involved in central steps to the various important bioactive lignans and isoflavonoids. Of particular interest was in determining how differing regio- and enantiospecificities are achieved with the different enzymes, despite each apparently going through similar enone intermediates. Initially, the three-dimensional x-ray crystal structures of both PLR_Tp1 and PCBER_Pt1 were solved and refined to 2.5 and 2.2 A resolutions, respectively. Not only do they share high gene sequence similarity, but their structures are similar, having a continuous alpha/beta NADPH-binding domain and a smaller substrate-binding domain. IFR (whose crystal structure is not yet obtained) was also compared (modeled) with PLR and PCBER and was deduced to have the same overall basic structure. The basis for the distinct enantio-specific and regio-specific reactions of PCBER, PLR, and IFR, as well as the reaction mechanism and participating residues involved (as identified by site-directed mutagenesis), are discussed.

NASA Discipline Plant Biology↗

NASA NTRS2006

Modeling Gravitational Radiation Waveforms from Black Hole Mergers

Gravitational radiation from merging binary black hole systems is anticipated as a key source for gravitational wave observations. Ground-based instruments, such as the Laser Interferometer Gravitational-wave Observatory (LIGO) may observe mergers of stellar-scale black holes, while the space-based Laser Interferometer Space Antenna (LISA) observatory will be sensitive to mergers of massive galactic-center black holes over a broad range of mass scales. These cataclysmic events may emit an enormous amount of energy in a brief time. Gravitational waves from comparable mass mergers carry away a few percent of the system's mass-energy in just a few wave cycles, with peak gravitational wave luminosities on the order of 10^23 L_Sun. Optimal analysis and interpretation of merger observation data will depend on developing a detailed understanding, based on general relativistic modeling, of the radiation waveforms. We discuss recent progress in modeling radiation from equal mass mergers using numerical simulations of Einstein's gravitational field equations, known as numerical relativity. Our simulations utilize Adaptive Mesh Refinement (AMR) to allow high-resolution near the black holes while simultaneously keeping the outer boundary of the computational domain far from the black holes, and making it possible to read out gravitational radiation waveforms in the weak-field wave zone. We discuss the results from simulations beginning with the black holes orbiting near the system's innermost stable orbit, comparing the recent simulations with earlier "Lazarus" waveform estimates based on an approximate hybrid numerical/perturbative technique.

Baker, J. G.↗

NASA NTRS2011

Validation of a Climate-Data Record of the "Clear-Kky" Surface Temperature of the Greenland Ice Sheet

Surface temperatures on the Greenland Ice Sheet have been studied on the ground, using automatic weather station (AWS) data from the Greenland-Climate Network (GC-Net), and from analysis of satellite sensor data. Using Advanced Very High Frequency Radiometer (AVHRR) weekly surface temperature maps, warming of the surface of the Greenland Ice Sheet has been documented since 1981. We extended and refined this record using higher-resolution Moderate-Resolution Imaging Spectroradiometer (MODIS) data from March 2000 to the present. We developed a daily and monthly climate-data record (CDR) of the "clear-sky" surface temperature of the Greenland Ice Sheet using an ice-surface temperature (1ST) algorithm developed for use with MODIS data. Validation of this CDR is ongoing. MODIS Terra swath data are projected onto a polar stereographic grid at 6.25-km resolution to develop binary, gridded daily and mean-monthly 1ST maps. Each monthly map also has a color-coded image map that is available to download. Also included with the monthly maps is an accompanying map showing number of days in the month that were used to calculate the mean-monthly 1ST. This is important because no 1ST decision is made by the algorithm for cells that are considered cloudy by the internal cloud mask, so a sufficient number of days must be available to produce a mean 1ST for each grid cell. Validation of the CDR consists of several facets: 1) comparisons between ISTs and in-situ measurements; 2) comparisons between ISTs and AWS data; and 3) comparisons of ISTs with surface temperatures derived from other satellite instruments such as the Thermal Emission and Reflection Radiometer (ASTER) and Enhanced Thematic Mapper Plus (ETM+). Previous work shows that Terra MODIS ISTs are about 3 C lower than in-situ temperatures measured at Summit Camp, during the winter of 2008-09 under clear skies. In this work we begin to compare surface temperatures derived from AWS data with ISTs from the MODIS CDR. The Greenland Ice Sheet 1ST CDR will be useful for monitoring surface-temperature trends and can be used as input or for validation of climate models. The CDR can be extended into the future using MODIS Terra, Aqua and NPOESS Preparatory Project Visible Infrared Imager Radiometer Suite (VII RS) data.

Hall, Dorothy K.↗

NASA NTRS2011

Validation of a Climate-Data Record of the "Clear-Sky" Surface Temperature of the Greenland Ice Sheet

Hall, Dorothy K.↗