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At least 1,171 records · Page 65

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NASA NTRS1972

A preliminary design study for a cosmic X-ray spectrometer

The results are described of theoretical and experimental investigations aimed at the development of a curved crystal cosmic X-ray spectrometer to be used at the focal plane of the large orbiting X-ray telescope on the third High Energy Astronomical Observatory. The effort was concentrated on the development of spectrometer concepts and their evaluation by theoretical analysis, computer simulation, and laboratory testing with breadboard arrangements of crystals and detectors. In addition, a computer-controlled facility for precision testing and evaluation of crystals in air and vacuum was constructed. A summary of research objectives and results is included.

Source record↗

NASA NTRS1999

Control of Meridional Flow in Circular Cylinders by a Travelling Axial Magnetic Field

Convective flow in a Bridgman or float zone configuration significantly affects the interface shape and segregation phenomena. While the primary causative factor for this flow is buoyancy induced convection in an enclosed Bridgman melt, the presence of a free surface gives rise to surface tension driven flows in the floating zone processing of melts. It is of interest to curtail these flows in order to realize near quiescent growth conditions that have shown to result in crystals with good longitudinal and radial homogeneity and thereby of better overall quality. While buoyancy effects can be reduced by careful processing in a low gravity (space) environment, the reduction of Marangoni flows due to surface tension variations is not that straight forward. Attempts have been made with some limited success with the use of external fields to affect the melt thermo-fluid behavior. The use of a static magnetic field that reduces convective contamination through the effects of a non-intrusively induced, dissipative Lorentz force in an electrically conducting melt is one such approach. Experiments have shown that axial fields of the order of 5 Tesla can significantly eliminate convection and yield close to diffusion limited crystal growth conditions. The generation and use of such high magnetic fields require substantial hardware and incur significant costs for its operation. Lately, the use of rotating magnetic fields has been tested in semiconductor crystal growth. The method is fairly well known and commonly used in metal processing but its adaptation to crystal growth of semiconductors is fairly recent. The elegance of the technique rests in its low power requirement (typically 10-20 milli-Tesla at 50-400 Hz) and its efficacy in curtailing deleterious temperature fluctuations in the melt. A rotating magnetic field imposes a rotational force and thereby induces a circulation within the melt that tends to dominate other sporadic convective effects. Thus a known low level of convective flow is introduced into the system. A new novel variation of the Lorentz force mechanism is proposed and investigated in this study. Since one of the desired process conditions in melt crystal growth is the minimization of convective effects, this investigation examines the use of an external field of magnetic origin to counteract existing convective flow within the melt. This is accomplished by utilizing a running or traveling axial magnetic wave in the system. The concept is similar to the use of vibrational means in order to induce streaming flows that oppose buoyant or surface tension driven convection in the system. The rotation direction as well as the magnitude (strength) of this circulation can be easily controlled by external inputs thus affording a direct means of controlling the developing shape of the crystallizing front (interface). The theoretical model of this technique is fully developed and presented in this paper. Results from the solution of the developed governing equations and boundary conditions are also presented. An experimental demonstration of the concept is presented through the suppression of natural convective flow in a mercury column. Implications to crystal growth systems will be fully explored in the final manuscript.

Mazuruk, K.↗

DOE OSTI2021

Sodium Fire Collaborative Study Progress -- CNWG Fiscal Year 2020

This report discusses the progress on the collaboration between Sandia National Laboratories (Sandia) and Japan Atomic Energy Agency (JAEA) on the sodium fire research in fiscal year 2020. First, the current sodium pool fire model in MELCOR, which is adapted from CONTAIN-LMR code, is discussed. The associated sodium fire input requirements are also presented. These input requirements are flexible enough to permit further model development via control functions to enhance the current model without modifying the source code. The theoretical pool fire model improvement developed at Sandia is discussed. A control function model has been developed from this improvement. Then, the validation study of the sodium pool fire model in MELCOR carried out by both Sandia and JAEA’s staff is described. To validate this pool fire model with the enhancement, a JAEA sodium pool fire experiment (F7-1 test) is used. The results of the calculation are discussed as well as suggestions for further model improvement. Finally, recommendations are made for new MELCOR simulations for next fiscal year, 2021.

36 MATERIALS SCIENCE↗

NASA NTRS1982

Development of test methodology for dynamic mechanical analysis instrumentation

Dynamic mechanical analysis instrumentation was used for the development of specific test methodology in the determination of engineering parameters of selected materials, esp. plastics and elastomers, over a broad range of temperature with selected environment. The methodology for routine procedures was established with specific attention given to sample geometry, sample size, and mounting techniques. The basic software of the duPont 1090 thermal analyzer was used for data reduction which simplify the theoretical interpretation. Clamps were developed which allowed 'relative' damping during the cure cycle to be measured for the fiber-glass supported resin. The correlation of fracture energy 'toughness' (or impact strength) with the low temperature (glassy) relaxation responses for a 'rubber-modified' epoxy system was negative in result because the low-temperature dispersion mode (-80 C) of the modifier coincided with that of the epoxy matrix, making quantitative comparison unrealistic.

Allen, V. R.↗

NASA NTRS1985

The role of reabsorption in the spectral distribution of phytoplankton fluorescence emission

A theoretical model has been developed to describe an experimentally observed spectral shift in the fluorescence emission from phytoplankton as a result of the internal reabsorption of that emission. This model accounts for both the absorption of the primary excitation and the modification of the fluorescence through the reabsorption of the emitted light by the chloroplast and by the surrounding medium. Comparisons are made between the results of the theoretical model and data derived from experiments using a number of different phytoplankton species, each adapted to varying light conditions. The details of the model are discussed, and the consequences of its interpretation on the spectral distribution of the fluorescence emission from phytoplankton are examined.

Collins, D. J.↗

NASA NTRS2003

Self-Directed Cooperative Planetary Rovers

The project is concerned with the development of decision-theoretic techniques to optimize the scientific return of planetary rovers. Planetary rovers are small unmanned vehicles equipped with cameras and a variety of sensors used for scientific experiments. They must operate under tight constraints over such resources as operation time, power, storage capacity, and communication bandwidth. Moreover, the limited computational resources of the rover limit the complexity of on-line planning and scheduling. We have developed a comprehensive solution to this problem that involves high-level tools to describe a mission; a compiler that maps a mission description and additional probabilistic models of the components of the rover into a Markov decision problem; and algorithms for solving the rover control problem that are sensitive to the limited computational resources and high-level of uncertainty in this domain.

Zilberstein, Shlomo↗

NASA NTRS1985

Crystal Growth Research in Space

The objectives of this work are to develop growth techniques and theory leading to improved bulk growth of semiconductor single crystals. Ground based experiments will be complemented by experiments carried out in the low-g environment provided by the space shuttle. Analytical studies and laboratory investigations are being conducted to better define the causes of crystalline defects and inhomogeneities. The compound semiconductor lead-tin-telluride is being used as the modeling material. Theoretical techniques are being developed to predict the thermal and solutal fields which are present during bulk growth from a melt. Techniques for measuring the thermophysical properties of semiconductors at high temperatures have been developed. During the past year electrochemical etching techniques have been developed for delineation of inhomogeneous regions in crystals. Thermal diffusivity measurements have been completed for the solid and liquid phases of PbTe and PbSnTe. Preliminary results have been obtained on the effects on crystal morphology of gravity, interface shape and interaction between the melt and the container.

Crouch, R. K.↗

DOE OSTI2025

Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization

Many fundamental biological processes, including those in photosynthetic reaction centers and enzyme active sites, involve charge and energy transfer, bond cleavage, protonation and hydrogen bonding. Because H atoms play such central roles in these reactions, accurately determining their positions is essential. Yet, conventional X-ray crystallography primarily resolves the heavy atoms in biological structures and provides limited insight into hydrogen, even at atomic resolution. Neutron macromolecular crystallography (NMC) overcomes this limitation by offering exceptional sensitivity to hydrogen and deuterium. Here, we present a theoretical framework for the development of dynamic nuclear polarization NMC (DNP-NMC) techniques, which exploit the alignment of neutron and proton nuclear spins to enhance and tune the hydrogen signal contribution. The DNP-NMC approach advances the resolution of H atoms within biomolecular crystals, whether bound to protein residues or present in solvent. The method establishes key relationships for the coherent structure factor of polarized neutron scattering from hydrogenous matter. It theoretically achieves full accuracy in phase reconstruction and offers a path to improve neutron structure determination, achieving accuracies exceeding ≳80% by incorporating titration states. Using a variant of the hybrid input/output phase-retrieval algorithm, it allows recovery of the hydrogen density with ≳90% phase accuracy. In conclusion, we further discuss sources of experimental uncertainty for the upcoming DNP-enabled, quasi-Laue IMAGINE-X experiment at Oak Ridge National Laboratory's High Flux Isotope Reactor.

dynamic nuclear polarization↗

DOE OSTI2018

Personal thermal management using portable thermoelectrics for potential building energy saving

Heating and cooling of buildings consume approximately 15% of all energy used in the United States. Such a large energy demand is primarily due to heating and cooling of the entire building space to temperature setpoints usually between 21.1 degrees C (70 degrees F) and 23.9 degrees C (75 degrees F). However, even with such a narrow range of temperature setpoints, more than 20% of the occupants do not feel thermally comfortable due to individual differences (e.g. age, gender, clothing, or physiology). The personal thermal management techniques, which create a local thermal envelope around a human body instead of heating or cooling the entire building space, have the potential to greatly reduce the building energy consumption and to enhance thermal comfort of individuals. In this study, a portable thermoelectric energy conversion unit (TECU) that converts electricity into cooling and heating energy is developed. The TECU supplies cool air (in the cooling mode) or warm air (in the heating mode) to regulate the thermal comfort of a human body. The cool or warm air is supplied through a tree-like rubber tube network that is knitted into a thermoregulatory undergarment. To achieve a cooling/heating target that provides satisfactory thermal comfort, the required cooling/heating power supply from the TECU is determined first while a theoretical model is then developed to guide the design of the TECU. To minimize the TECU weight and make it suitable for portable applications, relationships between weight and thermal resistances of commercial off-the-shelf heat sinks are established first, and a method to find the minimal weight of heat sinks for the TECU is then developed. This methodology is also applicable for other applications where heat sink weight needs to be minimized. The thermal manikin tests demonstrate that 24.6 W of personal cooling power and 18.5 W of personal heating power are achieved by using the TECU.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Coupling of electroelastic dynamics and direct contact ultrasonic drying formulation for annular piezoelectric bimorph transducers

A newly developed technique for drying clothes without thermal energy has been developed through the utilization of ultrasonic vibrations from piezoelectric transducers. The novel technique incorporates the actuation of a thin stainless steel disk in contact with wet fabric via annular piezoelectric rings, where water in the liquid form is atomized, transported through microchannels in the disk, and ejected as a mist. In such a system, resonance matching between the actuation portion of the transducer and the portion contacting fabric must be realized, with theoretical results from the developed electromechanical model showing a reduction in energy consumption by 50% when resonance matching is achieved. The electrically coupled distributed parameter model for an annular bimorph piezoelectric transducer is developed for optimization of ultrasonic drying technology. The thickness mode vibrations are shown to dominate the behavior of the system, where the analytically developed model can be optimized to increase the output acceleration of the transducer, thus increasing drying performance. Here, the electromechanical equation developed will be connected to the drying rates of fabrics in contact with said vibrations, where the novelty of the coupled equations and its description of the physics of ultrasonic drying will be discussed.

36 MATERIALS SCIENCE↗

NASA NTRS2008

Wear Mechanisms in Electron Sources for Ion Propulsion, 2: Discharge Hollow Cathode

The wear of the keeper electrode in discharge hollow cathodes is a major impediment to the implementation of ion propulsion onboard long-duration space science missions. The development of a predictive theoretical model for hollow cathode keeper life has long been sought, but its realization has been hindered by the complexities associated with the physics of the partially ionized gas and the associated erosion mechanisms in these devices. Thus, although several wear mechanisms have been hypothesized, a quantitative explanation of life test erosion profiles has remained incomplete. A two-dimensional model of the partially ionized gas in a discharge cathode has been developed and applied to understand the mechanisms that drove the erosion of the keeper in two long-duration life tests of a 30-cm ion thruster. An extensive set of comparisons between predictions by the numerical simulations and measurements of the plasma properties and of the erosion patterns is presented. It is found that the near-plume plasma oscillations, predicted by theory and observed by experiment, effectively enhance the resistivity of the plasma as well as the energy of ions striking the keeper.

hollow cathode↗

NASA NTRS1985

Mathematical Models of Continuous Flow Electrophoresis

Development of high resolution continuous flow electrophoresis devices ultimately requires comprehensive understanding of the ways various phenomena and processes facilitate or hinder separation. A comprehensive model of the actual three dimensional flow, temperature and electric fields was developed to provide guidance in the design of electrophoresis chambers for specific tasks and means of interpreting test data on a given chamber. Part of the process of model development includes experimental and theoretical studies of hydrodynamic stability. This is necessary to understand the origin of mixing flows observed with wide gap gravitational effects. To insure that the model accurately reflects the flow field and particle motion requires extensive experimental work. Another part of the investigation is concerned with the behavior of concentrated sample suspensions with regard to sample stream stability particle-particle interactions which might affect separation in an electric field, especially at high field strengths. Mathematical models will be developed and tested to establish the roles of the various interactions.

Saville, D. A.↗

DOE OSTI2020

Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Ordering of different chalcogens, S, Se, and Te, on Au(111) exhibit broad similarities but also some distinct features, which must reflect subtle differences in relative values of the long-range pair and many-body lateral interactions between adatoms. We develop lattice-gas (LG) models within a cluster expansion framework, which includes about 50 interaction parameters. These LG models are developed based on density functional theory (DFT) analysis of the energetics of key adlayer configurations in combination with the Monte Carlo (MC) simulation of the LG models to identify statistically relevant adlayer motifs, i.e., model development is based entirely on theoretical considerations. The MC simulation guides additional DFT analysis and iterative model refinement. Given their complexity, development of optimal models is also aided by strategies from supervised machine learning. The model for S successfully captures ordering motifs over a broader range of coverage than achieved by previous models, and models for Se and Te capture the features of ordering, which are distinct from those for S. More specifically, the modeling for all three chalcogens successfully explains the linear adatom rows (also subtle differences between them) observed at low coverages of ~0.1 monolayer. The model for S also leads to a new possible explanation for the experimentally observed phase with a (5 × 5)-type low energy electron diffraction (LEED) pattern at 0.28 ML and to predictions for LEED patterns that would be observed with Se and Te at this coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Shock compression of vanadium at extremes: Theory and experiment

Here, the equation of state (EOS) and shock compression of bulk vanadium were investigated using canonical ab initio molecular dynamic simulations, with experimental validation to 865 GPa from shock data collected at Sandia's Z Pulsed Power Facility. In simulations the phase space was sampled along isotherms ranging from 3000 K to 50 000 K, for densities between ρ = 3 and 15 g / cm 3 , with a focus on the liquid regime and the body-centered-cubic phase in the vicinity of the melting limit. The principal Hugoniot predicted from first principles is overall consistent with shock data, while it showed that current multiphase SESAME-type EOS for vanadium needed revision in the liquid regime. A more accurate SESAME EOS was developed using constraints from experiments and simulations. This work emphasizes the need to use a combined theoretical and experimental approach to develop high-fidelity EOS models for extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Towards grounding nuclear physics in QCD

Exascale computing could soon enable a predictive theory of nuclear structure and reactions rooted in the Standard Model, with quantifiable and systematically improvable uncertainties. Such a predictive theory will help exploit experiments that use nucleons and nuclei as laboratories for testing the Standard Model and its limitations. Examples include direct dark matter detection, neutrinoless double beta decay, and searches for permanent electric dipole moments of the neutron and atoms. It will also help connect QCD to the properties of cold neutron stars and hot supernova cores. We discuss how a quantitative bridge between QCD and the properties of nuclei and nuclear matter will require a synthesis of lattice QCD (especially as applied to two- and three- nucleon interactions), effective field theory, and ab initio methods for solving the nuclear many-body problem. While there are significant challenges that must be addressed in developing this triad of theoretical tools, the rapid advance of computing is accelerating progress. In particular, we focus this review on the anticipated advances from lattice QCD and how these advances will impact few-body effective theories of nuclear physics by providing critical input, such as constraints on unknown low-energy constants of the effective (field) theories. We also review particular challenges that must be overcome for the successful application of lattice QCD for low-energy nuclear physics. We describe progress in developing few-body effective (field) theories of nuclear physics, with an emphasis on HOBET, a non-relativistic effective theory of nuclear physics, which is less common in the literature. We use the examples of neutrinoless double beta decay and the nuclear-matter equation of state to illustrate how the coupling of lattice QCD to effective theory might impact our understanding of symmetries and exotic astrophysical environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1999

The Bright Gamma-Ray Transient GRO J1838-0145: Multiwavelength Studies of X-Ray Novae

We completed the observational work regarding the bright gamma-ray transient GRO J1838-014 that might be a representative of a new class of gamma-ray sources in our Galaxy. A bright gamma-ray flare was detected by EGRET in June 1996. Its time variability (approx. weeks) and the absence of a clearly identified radio-loud (-approx. 1 Jy) blazar in its error box are crucial for our interpretation of GRO J1838-014 as an object different from gamma-ray blazars or isolated pulsars. We also observed the error box with ASCA and SAX pointings without identifying obvious candidate counterparts. The X-ray flux in quiescence, if any, is quite low, and canonical X-ray binary systems are also excluded. GRO J1838-014 is not the only non-blazar gamma-ray transients detected by EGRET in the Galactic plane. An analysis of CGRO Cycle 4 data is being completed in collaboration with R. Mukherjee and J. Mattox with the discussion of other interesting unidentified sources. Pulsars embedded in transient gaseous surroundings (maybe in binary systems) or compact objects in special systems are plausible candidates. A theoretical analysis is being developed. We also continued the study of Galactic X-ray novae, in particular of systems producing radio jets such as GRS 1915+10. The use of Green Bank Interferometer data (of which the MT is the chair of the executive committee) has been of great use to GRO and other satellite missions. We completed a study of X-ray/radio outbursts of GRS 1915+10 with BSAX and Ryle radiotelescope data and CGRO/BATSE simultaneous data. We also continued our theoretical work on gamma-ray bursts.

Tavani, Marco↗

NASA NTRS2003

Interstellar Precursors of Meteoritic Organics

The organic inventory initially available to protostellar disks is the first step on the long chemical path to the development of Life. The early earth may have obtained most its volatile material from the arrival of meteorites and comets at its surface. Determining the most likely distribution of meteoritic and cometary organic molecules that could seed primitive planets is a major goal since it sets the initial conditions for, at least part of, the phase of prebiotic chemical evolution. Observations and measurements of the chemical composition of primitive Solar System organics, and of dense molecular clouds, should allow the construction of coherent theoretical picture of the development of organic complexity from interstellar biogenic material to the beginning of prebiotic evolution.

Charnley, S. B.↗

NASA NTRS1985

Theoretical Thermodynamics of Mixtures at High Pressures

The development of an understanding of the chemistry of mixtures of metallic hydrogen and abundant, higher-z material such as oxygen, carbon, etc., is important for understanding of fundamental processes of energy release, differentiation, and development of atmospheric abundances in the Jovian planets. It provides a significant theoretical base for the interpretation of atmospheric elemental abundances to be provided by atmospheric entry probes in coming years. Significant differences are found when non-perturbative approaches such as Thomas-Fermi-Dirac (TFD) theory are used. Mapping of the phase diagrams of such binary mixtures in the pressure range from approx. 10 Mbar to approx. 1000 Mbar, using results from three-dimensional TFD calculations is undertaken. Derivation of a general and flexible thermodynamic model for such binary mixtures in the relevant pressure range was facilitated by the following breakthrough: there exists an accurate nd fairly simple thermodynamic representation of a liquid two-component plasma (TCP) in which the Helmholtz free energy is represented as a suitable linear combination of terms dependent only on density and terms which depend only on the ion coupling parameter. It is found that the crystal energies of mixtures of H-He, H-C, and H-O can be satisfactorily reproduced by the same type of model, except that an effective, density-dependent ionic charge must be used in place of the actual total ionic charge.

Hubbard, W. B.↗