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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Ultrafast X-ray scattering reveals vibrational coherence following Rydberg excitation

The coherence and dephasing of vibrational motions of molecules constitute an integral part of chemical dynamics, influence material properties, and underpin schemes to control chemical reactions. Significant progress has been made in understanding vibrational coherence through spectroscopic measurements, but the precise direct measurement of the structure of a vibrating excited-state polyatomic organic molecule has remained elusive. Here, we measure the time-evolving molecular structure of optically excited N-methyl morpholine through scattering with ultrashort X-ray pulses. The scattering signals are corrected for the different electron density in the excited electronic state of the molecule compared to the ground state. In conclusion, the experiment maps the evolution of the molecular geometry with femtosecond resolution, showing coherent motion that survives electronic relaxation and appears to persist for longer than previously seen using other methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Design of functional composite and all-inorganic nanostructured materials via infiltration of polymer templates with inorganic precursors

Robust and efficient approaches for the synthesis of materials with structure, porosity, and composition controlled at the nanoscale are highly important for a wide range of applications. Polymer templates are promising platforms to achieve such control. The self-assembly process of polymers provides access to diverse structures that can serve as templates for the deposition of inorganic materials. By infiltrating metal precursors from gas or liquid phases, using sequential infiltration synthesis (SIS) or swelling-based infiltration (SBI), respectively, into the polymer templates, one can create finely-tuned texturing of the surface films and bulk materials. In this review, we outline the specifics and dynamics of the polymer infiltration process and characterize the structure and properties of the synthesized materials. Finally, we highlight recent progress in implementing polymer infiltration-based nanoporous ceramics for many applications, including sensors, antireflective coatings, oil-absorbing foams, nanolithographic patterns, and catalytic materials.

Berman, Diana↗
DOE OSTI2014

Effect of dopant compensation on the temperature dependence of the transport properties in p-type monocrystalline silicon

In this paper, we investigate the temperature variations of the hole transport properties in initially uncompensated boron-doped Czochralski silicon progressively compensated through thermal donors activation. After each donor generation anneal, the boron and thermal donor concentrations in the samples are determined using (1) the change in carrier concentration at room temperature and (2) the analysis of the temperature variation of the carrier concentration in the range 77–350 K. By comparing both methods with theory, evidence is brought that down to 77 K the Hall factor is unaffected by compensation up to high compensation levels. This is of great interest for researchers working on new solar-grade materials since it nicely suggests that Hall factor models previously established for non-compensated silicon can be applied to compensated samples, for example, when extracting the individual dopant concentrations from the temperature variations of the hole concentration. At very high compensation levels, anomalous Hall data lead to erroneously low carrier mobility values. We showed that this artifact was due to the formation of a n-p-n transistor, arising from the preferential formation of thermal donors in the sample's subsurface. After rejecting these unphysical data from the analysis, we confirm that the hole mobility is greatly affected by compensation in the temperature range investigated. We eventually confront our experimental data to current mobility models and discuss the possible sources of discrepancy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Periodic Korteweg–de Vries soliton potentials generate quasisymmetric magnetic field strength in a finite plasma- β equilibrium

Quasisymmetry (QS) is a hidden symmetry of the magnetic field strength, B , that enables effective confinement of charged particles in a fully three-dimensional (3D) toroidal plasma equilibrium. Such equilibria are typically modeled by the ideal magnetohydrostatic (MHS) equations. The nonlinear, overdetermined nature of the QS MHS equations severely complicates our understanding of the interplay between 3D shaping, equilibrium properties such as pressure and rotational transform, and B . Progress has been made through expansions near the magnetic axis; however, a more comprehensive theory is desirable. Using a combination of analysis and regression on a large dataset of numerically optimized quasisymmetric stellarators, we demonstrate that there is a hidden lower dimensionality of B on a magnetic flux surface with connections to the theory of periodic solitons. We show that B on a flux surface is determined by three or at most four flux functions, each of which determines a critical value of the derivative of B along the field line. While being consistent with the near-axis models, our results are global and hold even on the last closed flux surface.

Differential geometry↗
DOE OSTI2025

Artificial intelligence for advanced functional materials: exploring current and future directions

This perspective addresses the topic of harnessing the tools of artificial intelligence (AI) for boosting innovation in functional materials design and engineering as well as discovering new materials for targeted applications in energy storage, biomedicine, composites, nanoelectronics or quantum technologies. It gives a current view of experts in the field, insisting on challenges and opportunities provided by the development of large materials databases, novel schemes for implementing AI into materials production and characterization as well as progress in the quest of simulating physical and chemical properties of realistic atomic models reaching the trillion atoms scale and with near ab initio accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High-foot Implosion Workshop (March 22-24, 2016) Report

From March 22-24, 2016 at Workshop was held at Lawrence Livermore National Laboratory bringing together international experts in inertial confinement fusion research for the purpose of discussing the results from the ‘high-foot implosion campaign.’ The Workshop topics covered a retrospective of the first two years of experiments, a discussion of our best present understanding of what the data and our models imply, a discussion about remaining mysteries that are not understood at this time, and a discussion of our strategy moving forward. The material herein contains information from published and unpublished sources and is distributed solely for the purposes of this Workshop. Key assessments and conclusions resulting from the Workshop are: “The high foot campaign is extremely well documented and the interested reader is urged to go directly to the peer-reviewed journal literature for details.” – D. Haynes (LANL) “Overall progress in understanding of fuel and hot-spot properties near peak burn is excellent.” – V. Goncharov (LLE) “I would say that given the constraints of using the same hohlraum and similar capsule designs to the National Ignition Campaign, the High Foot Campaign achieved as much as could be expected. Indeed the demonstration of significant alpha particle heating remains a landmark achievement.” – J. Chittenden (Imperial College) “One of the principal points of discussion at the meeting was the importance of the roll over in inferred pressure that occurs with reducing coast time for different ablator thicknesses and the idea of repeating shot N140819 to confirm this. I would be very interested to see a return to the High Foot platform as a way to exercise the improved radiographic capabilities such as the curved crystal imaging system and as a way to examine the hypothesis of ‘burn truncation by aneurism.’ ” – J. Chittenden (Imperial College) “It is clear from the quality of the data presented during this workshop that the High-Foot experimental series has been a success. It has fulfilled the original goal of being an implosion platform that could separate the low-mode effects from the high-mode effects. Just because we now know when the High-Foot implosions break, it does not mean that they have served their purpose. This will be a very useful platform to study hohlraum coupling, to determine if controlling shape reduces residual kinetic energy, and testing hypotheses of how the hot-spot assembles.” – J. Knauer (LLE) “The LLNL "base camp" strategy for hohlraums was finally presented. Goals are to understand the safe operating space for the hohlraum and to find designs with good enough symmetry inside NIF's envelope, varying the CCR, pulse length and capsule designs. LLNL has a draft set of drive asymmetry requirements.” – P. Gauthier (CEA)

42 ENGINEERING↗
DOE OSTI2019

High Conductivity and Flexible Hybrid Solid State Electrolyte (Final Report: DOE-EE0007807)

The project objective is to develop flexible hybrid electrolyte with garnet nanofibers to achieve the following: (1) flexible, with greater mechanical strength (~ 10 MPa) and thermal stability than polymer electrolytes; (2) high room-temperature ionic conductivity, ~ 0.5 mS/cm; (3) stable interface with lithium metal and effective blocking of lithium dendrites at current densities up to 3 mA/cm 2 ; and (4) battery performance with Li S chemistry with an energy density of ≥ 450 Wh/kg (and ≥ 1000 Wh/L) and maintaining ≥ 80% of capacity up to 500 cycles. We synthesized garnet nanofibers, filled the porous region with polymer electrolyte, and characterized and tuned the flexible hybrid membrane properties. The flexible hybrid SSE microstructure was analyzed by leveraging the UMD AIMLab Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) tools and integrated with electrochemical methods at the UMERC Battery Fabrication Lab to investigate the properties and stability with Li metal anode. We developed a fundamental understanding of the mechanism of Li ionic diffusion in garnet nanofibers and their mechanical properties, as well as these properties for hybrid garnet-fiber/polymer hybrids. Work progressed toward the study of the electrode assembly during electrochemical cycling of the anode.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Neutrons and Complementary Techniques for Quantum Materials

The virtual workshop “Neutrons and Complementary Techniques for Quantum Materials” was held September 6-8, 2022. As the investigation of quantum materials progresses, researchers can no longer deal with the bulk properties and surface states separately. Many open questions require the combination of complementary methods sensitive to different degrees of freedom to provide a more comprehensive view. This workshop intends to create a bridge for the science community focusing on different techniques to educate each other so we will gain a better understanding of the strength, weakness/limits, the most recent new developments, and future directions for each technique. Through this workshop we intended to raise the awareness of developments in techniques complimentary to neutron scattering, thereby maximizing the impact of our work and strengthening collaborations across experimental techniques in the research of quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Highlights of Discoveries for δ Scuti Variable Stars from the Kepler Era

The NASA Kepler and follow-on K2 mission (2009–2018) left a legacy of data and discoveries, finding thousands of exoplanets, and also obtaining high-precision long time-series data for hundreds of thousands of stars, including many types of pulsating variables. Here we highlight a few of the ongoing discoveries from Kepler data on δ Scuti pulsating variables, which are core hydrogen-burning stars of about twice the mass of the Sun. We discuss many unsolved problems surrounding the properties of the variability in these stars, and the progress enabled by Kepler data in using pulsations to infer their interior structure, a field of research known as asteroseismology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Observations of Binary Stars with the Differential Speckle Survey Instrument. VIII. Measures of Metal-poor and Triple Stars from 2015 to 2018

We present 248 speckle observations of 43 binary and 19 trinary star systems chosen to make progress in two main areas of investigation: the fundamental properties of metal-poor stars and star formation mechanisms. The observations were taken at the Gemini North and South telescopes during the period 2015 July to 2018 April, mainly with the Differential Speckle Survey Instrument but also with a few early results from the new ’Alopeke speckle camera at Gemini North. We find that the astrometry and photometry of these observations as a whole are consistent with previous work at Gemini. We present five new visual orbits for systems important in understanding metal-poor stars, three of which have orbital periods of less than 4 yr, and we indicate the degree to which these and future observations can impact our knowledge of stellar properties and star formation. In particular, we find a decrease in mass at fixed spectral type for metal-poor stars versus their solar-metallicity analogs that is consistent with predictions that are made from current stellar models.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Spacelab experiment definition study on phase transition and critical phenomena in fluids: Interim report on experimental justification

Pure fluids and fluid mixtures near critical points are identified and are related to the progress of several disciplines. Consideration is given to thermodynamic properties, transport properties, and the complex nonlinear phenomena which occur when fluids undergo phase transitions in the critical region. The distinction is made between practical limits which may be extended by advances in technology and intrinsic ones which arise from the modification of fluid properties by the earth's gravitational field. The kinds of experiments near critical points which could best exploit the low gravity environment of an orbiting laboratory are identified. These include studies of the index of refraction, constant volume specific heat, and phase separation.

Moldover, M. R.↗
NASA NTRS1984

High pressure cosmochemistry applied to major planetary interiors: Experimental studies

Progress is reported on a project to determine the properties and boundaries of high pressure phases of the H2-He-H2O-NH3-CH4 system that are needed to constrain theoretical models of the interiors of the major planets. This project is one of the first attempts to measure phase equilibria in binary fluid-solid systems in diamond anvil cells. Vibrational spectroscopy, direct visual observations, and X-ray diffraction crystallography of materials confined in externally heated cells are the primary experimental probes. Adiabats of these materials are also measured in order to constrain models of heat flow in these bodies and to detect phase transitions by thermal anomalies. Initial efforts involve the NH3-H2O binary. This system is especially relevant to models for surface reconstruction of the icy satellites of Jupiter and Saturn. Thermal analysis experiments were completed for the P-X space, p4GPa:0 or = 0.50, near room temperature. The cryostat, sample handling equipment, and optics needed to extend the optical P-T-X work below room temperature was completed.

Nicol, M. F.↗
NASA NTRS1985

Nonstoichiometric defects in GaAs and the EL2 bandwagon

In the present paper, an attempt is made to formulate a common framework for a discussion of nonstoichiometric defects, especially EL2 and dislocations. An outline is provided of the most important settled and unsettled issues, taking into account not only fundamental interests, but also urgent needs in advancing IC technology. Attention is given to stoichiometry-controlled compensation, the expected role of melt stoichiometry in electrical conductivity for the basic atomic disorders, defect equilibria-dislocations and EL2, and current issues pertaining to the identification of EL2. It is concluded that nonstoichiometric defects play a critical role in the electronic properties of GaAs and its electronic applications. Very significant progress has been recently made in learning how to adjust melt stoichiometry in order to maximize its beneficial effects and minimize its detrimental ones.

Lagowski, J.↗
NASA NTRS2005

Solar System Observations with Spitzer Space Telescope: Preliminary Results

The programs of observations of Solar System bodies conducted in the first year of the operation of the Spitzer Space Telescope as part of the Guaranteed Observing Time allocations are described. Initial results include the determination of the albedos of a number of Kuiper Belt objects and Centaurs from observations of their flux densities at 24 and 70 microns, and the detection of emission bands in the spectra of several distant asteroids (Trojans) around 10 and 25 microns. The 10 Kuiper Belt objects observed to date have albedos in the range 0.08 - 0.15, significantly higher than the earlier estimated 0.04. An additional KBO [(55565) 2002 AW(sub l97)] has an albedo of 0.17 plus or minus 0.03. The emission bands in the asteroid spectra are indicative of silicates, but specific minerals have not yet been identified. The Centaur/comet 29P/Schwassmann-Wachmann 1 has a nucleus surface albedo of 0.025 plus or minus 0.01, and its dust production rate was calculated from the properties of the coma. Several other investigations are in progress as the incoming data are processed and analyzed.

Cruikshank, Dale P.↗
NASA NTRS2006

The Effect of Cumulus Cloud Field Anisotropy on Domain-Averaged Solar Fluxes and Atmospheric Heating Rates

Cumulus clouds can become tilted or elongated in the presence of wind shear. Nevertheless, most studies of the interaction of cumulus clouds and radiation have assumed these clouds to be isotropic. This paper describes an investigation of the effect of fair-weather cumulus cloud field anisotropy on domain-averaged solar fluxes and atmospheric heating rate profiles. A stochastic field generation algorithm was used to produce twenty three-dimensional liquid water content fields based on the statistical properties of cloud scenes from a large eddy simulation. Progressively greater degrees of x-z plane tilting and horizontal stretching were imposed on each of these scenes, so that an ensemble of scenes was produced for each level of distortion. The resulting scenes were used as input to a three-dimensional Monte Carlo radiative transfer model. Domain-average transmission, reflection, and absorption of broadband solar radiation were computed for each scene along with the average heating rate profile. Both tilt and horizontal stretching were found to significantly affect calculated fluxes, with the amount and sign of flux differences depending strongly on sun position relative to cloud distortion geometry. The mechanisms by which anisotropy interacts with solar fluxes were investigated by comparisons to independent pixel approximation and tilted independent pixel approximation computations for the same scenes. Cumulus anisotropy was found to most strongly impact solar radiative transfer by changing the effective cloud fraction, i.e., the cloud fraction when the field is projected on a surface perpendicular to the direction of the incident solar beam.

Hinkelman, Laura M.↗
NASA NTRS2012

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
NASA NTRS2012

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗