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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences

The importance of solvation effects on the stability of glucose anomers has been studied by the combination of quantum mechanics and statistical mechanics, namely, the reference interaction site model self-consistent field spatial electron density distribution. The preferences of α- and β-glucose in H 2 O are well reproduced with the obtained ratio of 35:65 for α- and β-glucose, respectively. Indirect interactions and bulk effects, described by the Onsager model, are relatively small compared to the direct solute–solvent interactions, especially in [DMIM]Cl and dimethyl sulfoxide. From the decomposition of solvation free energy and solvation structures, it can be seen that the interactions with the solvent molecules greatly contribute to the anomer preferences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Investigation of post-breakup Coulomb acceleration using a trajectory model

Intermediate mass fragments ejected during the deexcitation of excited projectilelike fragments may promptly decay following ejection; the daughter particles that are subsequently produced are subject to interactions with the residual nucleus that affect final-state observables, a process herein referred to as post-breakup Coulomb acceleration. A simple classical Coulomb interaction model was used to study modification of 8 Be (2 + ), 5 Li (3/2 – ), 7 Li (7/2 – ), 7 Be (7/2 – ), and states in 12 B emitted following heavy-ion collisions of 28 Si + 12 C at 35 MeV/nucleon. Here, in contrast to previous work studying 8 Be (2 + ), excellent agreement between simulation and experiment was obtained using only Coulomb forces when either a Lorentzian or R-matrix line shape was used to describe the initial relative energy rather than a Gaussian. In consideration of the obtained results, improvements to the model and evaluation of experimental data are discussed as future directions, but it was concluded that the effects observed in the present data can be accurately described using only elements of classical mechanics and that the process is largely understood for a wide range of state lifetimes and mass and charge (a)symmetries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Reference Stratigraphy Applied to Rock Mechanics Studies for the Waste Isolation Pilot Plant: A Review - January 11, 2017

Reference stratigraphy for the Waste Isolation discernible clay in the orange halite, and Pilot Plant (WIPP) was developed to provide a standard for comparing the results of different models of mechanical behavior of the WIPP underground (e.g., Krieg, 1984) (Figure 1). Munson et al. (1989) revised the reference stratigraphy (Figure 2), and they concluded that mechanical behavior at WIPP was better represented by a different distribution of lithologies, in particular by assigning most of the units in the reference stratigraphy to “argillaceous halite” rather than as “clean halite.” Here I re-evaluate the background for these reference stratigraphies and lithology by examining core and other data.

58 GEOSCIENCES↗
NASA NTRS2003

Estimation of Unsteady Aerodynamic Models from Flight Test Data

This report summarizes the activities in aerodynamic model estimation from flight data. In addition to public presentations at the AIAA Atmospheric Flight Mechanics Conferences, two presentations at Boeing-Seattle were made during personal trips. These are discussed in the following: 1. Methodology of Aerodynamic Model Estimation from Flight Data. 2. Applications of F-16XL aerodynamic modeling. 3. Modeling of turbulence response. 5. Presentations at Boeing-Seattle. 6. Recommendations. and 7. References.

Lan, C. Edward↗
NASA NTRS2014

Expansion of the Real-time Sport-land Information System for NOAA / National Weather Service Situational Awareness and Local Modeling Applications

The NASA Short-term Prediction Research and Transition (SPoRT) Center in Huntsville, AL (Jedlovec 2013; Ralph et al. 2013; Merceret et al. 2013) is running a real-time configuration of the Noah land surface model (LSM) within the NASA Land Information System (LIS) framework (hereafter referred to as the "SPoRT-LIS"). Output from the real-time SPoRT-LIS is used for (1) initializing land surface variables for local modeling applications, and (2) displaying in decision support systems for situational awareness and drought monitoring at select NOAA/National Weather Service (NWS) partner offices. The SPoRT-LIS is currently run over a domain covering the southeastern half of the Continental United States (CONUS), with an additional experimental real-time run over the entire CONUS and surrounding portions of southern Canada and northern Mexico. The experimental CONUS run incorporates hourly quantitative precipitation estimation (QPE) from the National Severe Storms Laboratory Multi- Radar Multi-Sensor (MRMS) product (Zhang et al. 2011, 2014), which will be transitioned into operations at the National Centers for Environmental Prediction (NCEP) in Fall 2014. This paper describes the current and experimental SPoRT-LIS configurations, and documents some of the limitations still remaining through the advent of MRMS precipitation analyses in the SPoRT-LIS land surface model (LSM) simulations. Section 2 gives background information on the NASA LIS and describes the realtime SPoRT-LIS configurations being compared. Section 3 presents recent work done to develop a training module on situational awareness applications of real-time SPoRT-LIS output. Comparisons between output from the two SPoRT-LIS runs are shown in Section 4, including a documentation of issues encountered in using the MRMS precipitation dataset. A summary and future work in given in Section 5, followed by acknowledgements and references.

Case, Jonathan L.↗
NASA NTRS2001

Commercial Systems Validation Overview

The Commercial Systems Validation Laboratory (CSVL) is composed of the 1) Virtual Product Laboratory (VPL), 2) Commercial Instrument Validation Laboratory (CIVL), and 3) In-Flight Verification & Validation Network (IVVN). All three laboratories are described in this viewgraph presentation, which covers the characterization of CCD cameras, hyperspectral sensors, ground reference equipment, and the Multispectral Thermal Imager (MTI). The presentation also includes sections on thermal modeling, measurements taken from a float, and the Scientific Data Purchase (SDP) Program. The section of the SDP profiles four data providers: 1) EarthSat; 2) Intermap; 3) Positive Systems; 4) Space Imaging.

Ryan, Robert↗
NASA NTRS1982

Iron metal production in silicate melts through the direct reduction of Fe/II/ by Ti/III/, Cr/II/, and Eu/II/

The production of metallic iron in silicate melts by chemical reactions of Ti(3+), Cr(2+), and Eu(2+) with Fe(2+) is demonstrated under experimental conditions in a simplified basaltic liquid. These reactions form a basis for interpreting the role of isochemical valency exchange models in explanations for the reduced nature of lunar basalts. The redox couples are individually investigated in the silicate melt to ascertain reference redox ratios that are independent of mutual interactions. These studies also provide calibrations of spectral absorptions of the Fe(2+) and Ti(2+) species in these glasses. Subsequent spectrophotometric analyses of Fe(2+) and Ti(2+) in glasses doped with both iron and titanium and of Fe(2+) in glasses doped with either iron and chromium or iron and europium ascertain the degree of mutual interactions in these dual-doped glasses.

Schreiber, H. D.↗
NASA NTRS2023

Spacesuit Fit and Mobility Assessments by Digital Human Modeling

Spacesuit Fit and Mobility Assessments by Digital Human Modeling K. Han Kim (Leidos, Inc.) Elizabeth A. Benson (KBR, Inc.) Sudhakar L. Rajulu (NASA Johnson Space Center) Spacesuits are required to accommodate safe operations for astronauts across gender and a wide variety of body shapes and sizes. This goal has been of particular importance given the increasing diversity of NASA crewmembers for upcoming Missions. While testing with design prototypes is a critical step for spacesuit development, iterative mockup design, fabrication, and human subject tests can be extremely costly and time consuming. Moreover, testing with a limited subject pool has often raised questions for validity, as test subjects need to represent the entire astronaut population, not only of the past or current, but also the future. This study is aimed at demonstrating how digital human modeling (DHM) tools have been built and directly supported NASA spacesuit developments. With DHM, the computer aided design (CAD) model of a spacesuit was integrated with human body models. Two use scenarios are presented in this paper, namely fit and mobility. For fit assessments, the suit-to-body contact and compression patterns were estimated using 3D human body scan models virtually wearing a spacesuit model. A statistical fit classifier was made from the contact patterns and applied against a large database of body scans (N=2,500). With this technique, the NASA reference design spacesuit Exploration EVA Mobility Unit (xEMU)was verified to accommodate 90% of the astronaut-like population, with the critical dimensions covering 1stto 99thpercentiles of the target body measurements. A similar technique assessed XEMU mobility. The maximum reach envelopes were considered, within which the work objects and critical hardware interfaces should be located for safe and ergonomic operations. While the reach envelope geometry varies significantly with the suit wearer’s body size and strength, the existing test data did not include the subjects critically required to define suit mobility requirements, such as very small females or large males. Using the xEMU virtual model kinematically simulated and permuted for a hypothetical wearer, however, the existing data were statistically transformed and scaled. This method enabled for a parametric estimation of the reach envelopes from the 1stpercentile female or 99thpercentile male. The outcome was successfully incorporated for requirement developments. With the new DHM tools, human integration of the spacesuit was structurally simulated and predictively assessed, which would have been otherwise impossible. Also, the needs for iterative mockup and subject tests were significantly reduced, which resulted in time and cost saving. Additional work is in progress to integrate additional vehicles, tools, and hardware with DHM framework.

K Han Kim↗
DOE OSTI2015

SU-F-BRD-09: A Random Walk Model Algorithm for Proton Dose Calculation

Purpose: To develop a random walk model algorithm for calculating proton dose with balanced computation burden and accuracy. Methods: Random walk (RW) model is sometimes referred to as a density Monte Carlo (MC) simulation. In MC proton dose calculation, the use of Gaussian angular distribution of protons due to multiple Coulomb scatter (MCS) is convenient, but in RW the use of Gaussian angular distribution requires an extremely large computation and memory. Thus, our RW model adopts spatial distribution from the angular one to accelerate the computation and to decrease the memory usage. From the physics and comparison with the MC simulations, we have determined and analytically expressed those critical variables affecting the dose accuracy in our RW model. Results: Besides those variables such as MCS, stopping power, energy spectrum after energy absorption etc., which have been extensively discussed in literature, the following variables were found to be critical in our RW model: (1) inverse squared law that can significantly reduce the computation burden and memory, (2) non-Gaussian spatial distribution after MCS, and (3) the mean direction of scatters at each voxel. In comparison to MC results, taken as reference, for a water phantom irradiated by mono-energetic proton beams from 75 MeV to 221.28 MeV, the gamma test pass rate was 100% for the 2%/2mm/10% criterion. For a highly heterogeneous phantom consisting of water embedded by a 10 cm cortical bone and a 10 cm lung in the Bragg peak region of the proton beam, the gamma test pass rate was greater than 98% for the 3%/3mm/10% criterion. Conclusion: We have determined key variables in our RW model for proton dose calculation. Compared with commercial pencil beam algorithms, our RW model much improves the dose accuracy in heterogeneous regions, and is about 10 times faster than MC simulations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Development of Automated Atom Probe Tomography capability to study the influence of applied voltage and laser power on the final apparent composition of the analyzed specimen

This study presents the development and implementation of an autonomous Bayesian optimization (BO) framework for controlling and optimizing experimental parameters in Atom Probe Tomography (APT). Using commercial silicon needle samples as a benchmark system, we demonstrate that BO can efficiently navigate the complex parameter space of voltage and laser power to achieve target charge state ratios (specifically Si + /(Si + +Si 2+ )) with minimal experimental evaluations. Our implementation integrates Gaussian Process modeling with the CAMECA atom probe control framework, enabling autonomous adjustment of experimental conditions in real-time. Results show that the algorithm successfully converges to target ratios under different scenarios: maintaining a reference ratio, increasing the ratio (favoring Si 1+ ), and decreasing the ratio (favoring Si 2+ ). The system adapts to specimen evolution during analysis, compensating for changes in apex geometry while maintaining optimization targets. This work establishes a proof of concept for AI-driven optimization in APT, addressing the traditional challenges of manual parameter tuning and paving the way for applications to more complex materials where compositional accuracy is critical.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Finite-element boundary-integral simulation of thin wires and inhomogeneous penetrable bodies in subsurface multilayered anisotropic media

With the prevailing presence of drilling wells near the subsurface in mature oil and gas fields, the application of electromagnetic methods can be particularly challenging where the electromagnetic field is affected by the steel casing. In the past decades, borehole-to-surface and crosswell electromagnetic methods have been utilized for monitoring of reservoir and underground CO 2 storage. This paper presents a unified finite-element boundary-integral (FEBI) method capable of simultaneously modeling the complex electromagnetic interactions between thin metallic wires (representing steel casings) with 3D trajectory and arbitrary 3D inhomogeneous penetrable bodies (such as CO 2 plumes or hydrocarbon reservoirs) within anisotropic multilayered subsurface environments. Unlike existing approaches that treat these components separately or require dense discretization, or are limited to vertical wells, our unified formulation preserves flexible electromagnetic coupling while delivering improved computational efficiency. Assuming the background formation is multilayered anisotropic media, the surface integral equation method is applied to model the thin wires and boundaries of the inhomogeneous bodies. Meanwhile, the finite element method is applied to model the volume of inhomogeneous bodies. Here, the performance of the proposed FEBI method is assessed through comparison with reference numerical results and its practical significance is demonstrated through CO 2 plume monitoring scenarios.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Microstructure evolution in U-10Zr alloy irradiated by swift Xe ions at 700 °C

The post-irradiation examination (PIE) results of U-10Zr binary metallic fuel that was irradiated by 84 MeV Xe ions at 700 °C are reported here. The U-10Zr specimen was synthesized by homogenizing elemental U and Zr powders through arc-melting. The as-fabricated U-10Zr was dominated by the sub-micron acicular α+ δ phase. After being irradiated by 84 MeV Xe ions at 700 °C up to 2.19 ×10 17 ions/cm 2 fluence, the U-10Zr was speculated to evolve into micro-scale γ 1 + γ 2 phases as predicted by the U-Zr phase diagram. During post-irradiation cooling, the U-rich γ 1 phase was mainly transformed to the αphase, while the Zr-rich γ 2 phase was partially retained along with formation of hexagonal structure phase (δ or ω). Xe bubbles formed in the γ 1 and γ 2 phases have salient different morphologies, implying faster Xe diffusion in the γ 1 phase than the γ 2 phase. The quantitative bubble morphology data collected in this study can provide valuable references for the development and validation of fuel performance models for this fuel.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Statistically-driven Experimental Design to Improve Reference-free Quantification of Small Molecules by Liquid Chromatography-Mass Spectrometry

Non-targeted analysis of small molecules and metabolites in unknown, complex samples using liquid chromatography-tandem mass spectrometry remains challenging. One of the main bottlenecks is the extensive unannotated regions of metabolomics mass spectrometry data, resulting in knowledge gaps. Small molecule annotation in mass spectrometry data has conventionally relied on reference standards and libraries for compound identification and confirmation, which can constrain compound identification to those molecules already known, thus limiting the ability to discover new knowledge and new markers. Retention time prediction can facilitate and expedite unknown compound identification in non-targeted analysis of complex metabolomics samples. Additionally, accurate retention time predictions can also inform sample mixture design for LC-MS/MS analyses. However, current machine learning-based methods for retention time prediction are typically developed for specific chromatographic platforms and are not generalizable across scales. And while technologies and methods to improve reference-free metabolite identification for more comprehensive annotation of unknowns has received much attention, development of the same for quantitation without reference standards has been much more limited, despite its importance in toxicological, environmental, food safety, forensics, and clinical applications. We believe that a reference-free quantitation strategy that exploits mass spectrometry data already collected for reference-free identification can provide much more insight on unknowns, and move the metabolomics field for more complete unknowns characterization. As such, we pursue two efforts to improve upon current state-of-the-art methods in non-targeted analysis: (1) machine learning-based retention time prediction and (2) statistical design of experiments framework for reference-free quantitation. In this work, we develop and demonstrate (1) a generalizable retention time prediction capability across chromatographic conditions and scales, and (2) a statistical design-based framework for response factor contribution elucidation and reference-free quantitation. Evaluation of our retention time prediction model, PrediToR, showed approximately 24% improvement over current models, and we observed approximately 10X improvement in concentration estimation accuracy from our statistical design-based response factor model over a primarily ionization efficiency-based model. We expect that future efforts to improve upon these new capabilities will further advance non-targeted analysis of small molecules towards truly reference-free metabolomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

High temperature superconductors applications in telecommunications

The purpose of this paper is twofold: (1) to discuss high temperature superconductors with specific reference to their employment in telecommunications applications; and (2) to discuss a few of the limitations of the normally employed two-fluid model. While the debate on the actual usage of high temperature superconductors in the design of electronic and telecommunications devices - obvious advantages versus practical difficulties - needs to be settled in the near future, it is of great interest to investigate the parameters and the assumptions that will be employed in such designs. This paper deals with the issue of providing the microwave design engineer with performance data for such superconducting waveguides. The values of conductivity and surface resistance, which are the primary determining factors of a waveguide performance, are computed based on the two-fluid model. A comparison between two models - a theoretical one in terms of microscopic parameters (termed Model A) and an experimental fit in terms of macroscopic parameters (termed Model B) - shows the limitations and the resulting ambiguities of the two-fluid model at high frequencies and at temperatures close to the transition temperature. The validity of the two-fluid model is then discussed. Our preliminary results show that the electrical transport description in the normal and superconducting phases as they are formulated in the two-fluid model needs to be modified to incorporate the new and special features of high temperature superconductors. Parameters describing the waveguide performance - conductivity, surface resistance and attenuation constant - will be computed. Potential applications in communications networks and large scale integrated circuits will be discussed. Some of the ongoing work will be reported. In particular, a brief proposal is made to investigate of the effects of electromagnetic interference and the concomitant notion of electromagnetic compatibility (EMI/EMC) of high T(sub c) superconductors.

Kumar, A. Anil↗
NASA NTRS1999

High-Lift Engine Aeroacoustics Technology (HEAT) Test Program Overview

The NASA High-Speed Research program developed the High-Lift Engine Aeroacoustics Technology (HEAT) program to demonstrate satisfactory interaction between the jet noise suppressor and high-lift system of a High-Speed Civil Transport (HSCT) configuration at takeoff, climb, approach and landing conditions. One scheme for reducing jet exhaust noise generated by an HSCT is the use of a mixer-ejector system which would entrain large quantities of ambient air into the nozzle exhaust flow through secondary inlets in order to cool and slow the jet exhaust before it exits the nozzle. The effectiveness of such a noise suppression device must be evaluated in the presence of an HSCT wing high-lift system before definitive assessments can be made concerning its acoustic performance. In addition, these noise suppressors must provide the required acoustic attenuation while not degrading the thrust efficiency of the propulsion system or the aerodynamic performance of the high-lift devices on the wing. Therefore, the main objective of the HEAT program is to demonstrate these technologies and understand their interactions on a large-scale HSCT model. The HEAT program is a collaborative effort between NASA-Ames, Boeing Commercial Airplane Group, Douglas Aircraft Corp., Lockheed-Georgia, General Electric and NASA - Lewis. The suppressor nozzles used in the tests were Generation 1 2-D mixer-ejector nozzles made by General Electric. The model used was a 13.5%-scale semi-span model of a Boeing Reference H configuration.

Zuniga, Fanny A.↗
NASA NTRS2009

Production of Lightning NO(x) and its Vertical Distribution Calculated from 3-D Cloud-scale Chemical Transport Model Simulations

A 3-D cloud scale chemical transport model that includes a parameterized source of lightning NO(x), based on observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four field projects. Production per intracloud (P(sub IC) and cloud-to-ground (P(sub CG)) flash is estimated by assuming various values of P(sub IC) and P(sub CG) for each storm and determining which production scenario yields NO(x) mixing ratios that compare most favorably with in-cloud aircraft observations. We obtain a mean P(sub CG) value of 500 moles NO (7 kg N) per flash. The results of this analysis also suggest that on average, P(sub IC) may be nearly equal to P(sub CG), which is contrary to the common assumption that intracloud flashes are significantly less productive of NO than are cloud-to-ground flashes. This study also presents vertical profiles of the mass of lightning NO(x), after convection based on 3-D cloud-scale model simulations. The results suggest that following convection, a large percentage of lightning NO(x), remains in the middle and upper troposphere where it originated, while only a small percentage is found near the surface. The results of this work differ from profiles calculated from 2-D cloud-scale model simulations with a simpler lightning parameterization that were peaked near the surface and in the upper troposphere (referred to as a "C-shaped" profile). The new model results (a backward C-shaped profile) suggest that chemical transport models that assume a C-shaped vertical profile of lightning NO(x) mass may place too much mass neat the surface and too little in the middle troposphere.

Ott, Lesley↗
DOE OSTI2016

Collaborative Project. 3D Radiative Transfer Parameterization Over Mountains/Snow for High-Resolution Climate Models. Fast physics and Applications

Under the support of the aforementioned DOE Grant, we have made two fundamental contributions to atmospheric and climate sciences: (1) Develop an efficient 3-D radiative transfer parameterization for application to intense and intricate inhomogeneous mountain/snow regions. (2) Innovate a stochastic parameterization for light absorption by internally mixed black carbon and dust particles in snow grains for understanding and physical insight into snow albedo reduction in climate models. With reference to item (1), we divided solar fluxes reaching mountain surfaces into five components: direct and diffuse fluxes, direct- and diffuse-reflected fluxes, and coupled mountain-mountain flux. “Exact” 3D Monte Carlo photon tracing computations can then be performed for these solar flux components to compare with those calculated from the conventional plane-parallel (PP) radiative transfer program readily available in climate models. Subsequently, Parameterizations of the deviations of 3D from PP results for five flux components are carried out by means of the multiple linear regression analysis associated with topographic information, including elevation, solar incident angle, sky view factor, and terrain configuration factor. We derived five regression equations with high statistical correlations for flux deviations and successfully incorporated this efficient parameterization into WRF model, which was used as the testbed in connection with the Fu-Liou-Gu PP radiation scheme that has been included in the WRF physics package. Incorporating this 3D parameterization program, we conducted simulations of WRF and CCSM4 to understand and evaluate the mountain/snow effect on snow albedo reduction during seasonal transition and the interannual variability for snowmelt, cloud cover, and precipitation over the Western United States presented in the final report. With reference to item (2), we developed in our previous research a geometric-optics surface-wave approach (GOS) for the computation of light absorption and scattering by complex and inhomogeneous particles for application to aggregates and snow grains with external and internal mixing structures. We demonstrated that a small black (BC) particle on the order of 1 μm internally mixed with snow grains could effectively reduce visible snow albedo by as much as 5–10%. Following this work and within the context of DOE support, we have made two key accomplishments presented in the attached final report.

54 ENVIRONMENTAL SCIENCES↗