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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structural and Dynamical Design Principles for Iron-Sulfur Clusters in Sequence Defined Polymers

This integrated synthetic and computational effort uses sequence defined polymers such as peptoids, and triazines, capable of mimicking a flexible protein environment to control the positioning of side chains around redox cofactors. This strategy will allow modulation of redox properties through both direct and indirect mechanisms. To this end the aim is defined to test the underlying hypothesis: that principles and critical functionalities governing the binding and tuning of naturally occurring electron carrier co-factors can be identified and used to predictably design and synthesize maquettes based on non-natural polymers resulting in new modular biomimetic scaffolds for Electron Transfer Materials. This will be achieved through design and synthesis of ligands that can stabilize iron-sulfur clusters and tune the redox potential based on sequence.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Probing Condensed-Phase Structure and Dynamics in Hierarchical Zeolites and Nanosheets for Catalytic Upgradation of Biomass (Final Report)

Understanding complex reaction pathways in systems governed by multi-scale collective interactions across time and length scales remains a central scientific challenge. This project was guided by the hypothesis that the interplay among oligomers, solvents, and active sites can be tuned by a suitable choice of solvation environment and pore architecture in solid-acid catalysts to direct chemical transformations relevant to biomass conversion. Zeolites and zeolite nanosheets were used as model platforms, allowing for the interaction of macromolecules with the surface of the zeolite nanosheets and with smaller pores that host catalytically active sites. To investigate these coupled phenomena, we employ a multi-scale computational framework that integrates molecular-level descriptions with advanced sampling approaches to capture key physical and chemical interactions. Our work through this project improved fundamental understanding of how reactants and solid-acid catalysts interact in solvent-rich environments, thereby enabling the rational design of catalytic systems that upgrade biomass with enhanced selectivity and energy efficiency. In addition, the project developed advanced sampling methodologies critical for disentangling complex, reactive processes in multi-component catalytic environments.

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

A new capability for investigating the structure and dynamics of liquids at high pressures

Water and aqueous solutions are critical to many areas of science and technology. As a result, tremendous effort has been devoted to understanding them in detail. Despite over a century of research, fundamental questions about water and aqueous solutions remain unanswered. However, an intriguing possibility – that liquid water can exist in two thermodynamically distinct states – has emerged as the most likely explanation. The problem is that experimental confirmation of this hypothesis requires experiments on water at high pressures and low temperatures, conditions in which liquid water only exists briefly before turning into crystalline ice. This project investigated the feasibility of developing a new capability for study water and aqueous solutions under these challenging conditions. The physical constraints, such as the timescales for crystallization and thermal diffusion in supercooled water, were evaluated along with their impact on the design criteria for the instrument. Several basic design options were considered that could meet the technical requirements. The options were also evaluated with respect to their use of commercially available equipment versus the need for custom designs or in-house development. The project identified two viable options to pursue. The first option would use a high-pressure syringe pump in conjunction with fused silica (or sapphire) capillaries. The second option would use a diamond anvil cell. These options can both be used with optical spectroscopies, such as Raman or Infrared.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1973

Oceanographic mapping of structure and dynamics of the northern Gulf of California by the use of spectral modeling and ERTS-1

Distribution and flow of water masses at four depth intervals were determined by analyzing ERTS imagery through the use of optical models of classes of vertical oceanographic profiles. Data used for these models was obtained from shipboard measurements including surface spectral radiance, and optical and more conventional oceanographic depth profiles. The spectral models obtained were applied to radiance-contoured ERTS imagery in band 4, 5, 6, and 7. Features mapped by direct photointerpretation of ERTS imagery include submerged shoals, current streamlines, and location of possible upwellings, downwellings and submarine springs.

Lepley, L. K.↗
NASA NTRS1976

Theoretical and experimental studies of atmospheric structure and dynamics, using high altitude chemical release, Radio meteor, and meteorological rocket network and other data

Data collected by the Georgia Tech Radio Meteor Wind Facility during the fall and winter of 1975 are analyzed indicating a relationship between lower thermospheric circulation at mid latitudes and polar stratospheric dynamics. Techniques of measurement of mixing processes in the upper atmosphere and the interpretation of those measurements are described along with a diffusion simulation program based on the Global Reference Atmosphere program.

Edwards, H. D.↗
NASA NTRS1980

Thermal structure and dynamics of the Jovian Atmosphere. 1: The Great Red Spot

Temperatures and thermal winds, derived from Voyager infrared spectroscopy (IRIS) data over the Great Red Spot (GRS) and its environs, are presented. The atmosphere over the GRS is characterized by a tropopause which is cold relative to its environment and an upper stratosphere which is relatively warm. The cold tropopause implies a decrease in anticyclonic vorticity with height above 500 mb through the lower stratosphere. IRIS observations at 5 microns indicate little emission from the GRS itself, but enhanced emission in a ring about it, in agreement with recent ground based results. The behavior of the tropopause and 5 micron temperatures can be consistently interpreted as resulting from a circulation which rises within the GRS and subsides in the area around it. The explanation of the upper stratospheric temperatures is not so straightforward. A previous suggestion that they may be a manifestation of the linear vertical propagation of Rossby waves appears inconsistent with the gross east-west symmetry in the stratospheric temperatures over the GRS. The implications of the present results for various theoretical models of the GRS are examined, and the possibility that latent heat release drives the GRS is discussed.

Flasar, F. M.↗
NASA NTRS1980

Thermal structure and dynamics of the Jovian atmosphere. 2: Visible cloud features

Voyager IRIS data reveal strong similarities among a broad range of features which differ considerably in visual appearance. The atmosphere above anticyclonic features, including the major white ovals, the Great Red Spot, and a zone, are cold relative to the immediate surroundings in the upper troposphere and tropopause region. These results are consistent with upwelling and divergence in this part of the atmosphere. A hot spot and a barge, which are localized cyclonic features, are found to be warm relative to their surroundings, implying subsidence with accompanying convergence. In all cases, the thermal wind shear associated with the features indicates a decay of the vorticity with height in the upper troposphere and lower stratosphere. Vertical velocities inferred from the observed temperature perturbations imply an upper limit of vertical mixing times near the tropopause of approximately 20 years. Temperatures in the upper stratosphere above the anticyclonic features show considerable variation, but in most cases are found to be relatively warm.

Conrath, B. J.↗