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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Adiabatic thermal models for planetary bodies

In a number of recent experiments it was found that the logarithmic derivative with respect to volume of the adiabatic temperature increase with pressure P to be an approximately constant quantity n. It was found that n decreases slightly with temperature, to be virtually unaffected by increasing pressure and to take values between 4 and 8 for a wide variety of materials. It is shown that these findings can be substantiated from thermodynamic arguments, finite strain theory, atomic potential theory and experimental data on the thermal expansion coefficient and the bulk modulus B. It will be shown that n is independent of pressure if it is exactly equal to dB/dP + 1. For these materials d log gamma/d log v = -1, where gamma is the thermodynamic Gruneisenparameter. It will increase with P during an isothermal transformation if n dB/dP + 1 and decrease of n dB/dP + 1. For most materials n is close to dB/dP and the changes will be slight if pressures do not become too extreme. During an adiabatic transformation n is virtually constant. Adiabatic thermal models for planetary bodies were calculated and are presented.

Spohn, T.↗
NASA NTRS2003

A New Fitting Procedure for the Blended He I 1083 nm Multiplet

The He I 1083 nm multiplet is a powerful tool for observing the outer solar atmosphere but is difficult to analyze because the lines are weak, highly variable, and spectrally blended, both internally and with other neighboring solar and telluric lines. After separation from nearby spectral features, two components of the He I multiplet are resolved. Fitting these lines with two unconstrained Gaussian profiles always gives a ratio of major to minor component of less than half the value which would be expected for optically thin lines. One possibility for explaining the discrepancy between the weakness of the lines and the ratio of the spectral components is to assume that the line formation regions are concentrated in laterally unresolved, optically thick structures with small filling factor. However, we present here a least-squares fitting technique using cubic splines with fixed breakpoints with the constraint that the blend is the sum of three identically shaped profiles shifted in wavelength according to the atomic structure of the blend and weighted by the corresponding statistics weights, in agreement with optically thin line formation. The basis functions for the fitting procedure have no built-in spectral symmetry or shape. The resulting underlying profiles tend to be asymmetric with excess absorption to the blue, consistent with formation by "hot" and "cool" spatial elements within the observed volume, with the hotter regions having differential motion toward the observer. The results agree well with NASA/XSO Spectromagnetograph observations in quiet sun and coronal holes. Partial funding of this research was provided through the NASA Sun-Earth Connection SR&T program.

Jones, H. P.↗
DOE OSTI2013

A discontinuous Galerkin conservative level set scheme for interface capturing in multiphase flows

The accurate conservative level set (ACLS) method of Desjardins et al. [O. Desjardins, V. Moureau, H. Pitsch, An accurate conservative level set/ghost fluid method for simulating turbulent atomization, J. Comput. Phys. 227 (18) (2008) 8395–8416] is extended by using a discontinuous Galerkin (DG) discretization. DG allows for the scheme to have an arbitrarily high order of accuracy with the smallest possible computational stencil resulting in an accurate method with good parallel scaling. This work includes a DG implementation of the level set transport equation, which moves the level set with the flow field velocity, and a DG implementation of the reinitialization equation, which is used to maintain the shape of the level set profile to promote good mass conservation. A near second order converging interface curvature is obtained by following a height function methodology (common amongst volume of fluid schemes) in the context of the conservative level set. Various numerical experiments are conducted to test the properties of the method and show excellent results, even on coarse meshes. The tests include Zalesak’s disk, two-dimensional deformation of a circle, time evolution of a standing wave, and a study of the Kelvin–Helmholtz instability. Finally, this novel methodology is employed to simulate the break-up of a turbulent liquid jet.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

127 Xe quantification method development and intercomparison exercise

Monitoring of the atmosphere for fission products ( 131m Xe, 133m Xe, 133 Xe, and 135 Xe) is performed by various laboratories to detect nuclear explosions. Quantification of 127 Xe is not routinely performed by laboratories measuring atmospheric radioxenon because it is not a fission product. 127 Xe was recently detected by a ground-based beta-gamma air monitoring system. When measured using beta-gamma coincidence detector systems, such as those in use on the International Monitoring System (IMS) of the Comprehensive Nuclear-Test-Ban Treaty (CTBT), 127 Xe can interfere with the quantification of fission product radioxenon due to overlap of the 127 Xe beta-gamma coincidence signatures with those of fission product radioxenon. Here, this work demonstrates quantification of 127 Xe at different laboratories with different measurement techniques. Production and purification of 127 Xe was performed by neutron activation of enriched 126 Xe. The purified 127 Xe was then split between laboratories, and detection and quantification methods were developed. At Idaho National Laboratory, a quantification method involving high purity germanium detectors was devised that included self-attenuation correction. At AWE, a beta-gamma coincidence counting method, as used in support of the IMS, was modified to enable the measurement and analysis of the 127 Xe samples. Corrections were made for self-attenuation, which showed a strong xenon volume dependency, for some coincidence signatures. The gas sample activity concentration was used as the comparison metric and it showed excellent agreement between the methods.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2015

Tunable negative thermal expansion related with the gradual evolution of antiferromagnetic ordering in antiperovskite manganese nitrides Ag{sub 1−x}NMn{sub 3+x} (0 ≤ x ≤ 0.6)

The thermal expansion and magnetic properties of antiperovskite manganese nitrides Ag{sub 1−x}NMn{sub 3+x} were reported. The substitution of Mn for Ag effectively broadens the temperature range of negative thermal expansion and drives it to cryogenic temperatures. As x increases, the paramagnetic (PM) to antiferromagnetic (AFM) phase transition temperature decreases. At x ∼ 0.2, the PM-AFM transition overlaps with the AFM to glass-like state transition. Above x = 0.2, two new distinct magnetic transitions were observed: One occurs above room temperature from PM to ferromagnetic (FM), and the other one evolves at a lower temperature (T{sup *}) below which both AFM and FM orderings are involved. Further, electron spin resonance measurement suggests that the broadened volume change near T{sup *} is closely related with the evolution of Γ{sup 5g} AFM ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Predicting energies of small clusters from the inhomogeneous unitary Fermi gas

In this work, we investigate the inhomogeneous unitary Fermi gas and use the long-wavelength properties to predict the energies of small clusters of unitary fermions trapped in harmonic potentials. The large pairing gap and scale invariance place severe restrictions on the form of the density functional. We determine the relevant universal constants needed to constrain the functional from calculations of the bulk in oscillating external potentials. Comparing with exact quantum Monte Carlo calculations, we find that the same functional correctly predicts the lack of shell closures for small clusters of fermions trapped in harmonic wells as well as their absolute energies. A rapid convergence to the bulk limit in three dimensions, where the surface-to-volume ratio is quite large, is demonstrated. The resulting functional can be tested experimentally, and is a key ingredient in predicting possible polarized superfluid phases and the properties of the unitary Fermi gas in optical lattices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Ghost forces and spurious effects in atomic‐to‐continuum coupling methods by the Arlequin approach

The main purpose of this work is to identify spurious effects and propose a corrective method when coupling a particle model involving long–range interaction potentials with a first gradient homogenized model using the Arlequin framework. The most significant spurious effects are generally created by the so-called ghost forces that arise in coupling methods based on the minimization of a global energy functional. They depend as well on the coupling formulation itself, on the notion of representative volume element, and on the discretization of the continuum model. The proposed corrective technique is based on post-processing of the approximate solution by introducing dead forces that can be systematically evaluated and consistently inserted within the Arlequin formulation. Efficiency of the corrective procedure is demonstrated on 1D and 2D examples.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

The 1981 NASA ASEE Summer Faculty Fellowship Program, volume 2

A collection of papers on miscellaneous subjects in aerospace research is presented. Topics discussed are: (1) Langmuir probe theory and the problem of anisotropic collection; (2) anthropometric program analysis of reach and body movement; (3) analysis of IV characteristics of negatively biased panels in a magnetoplasma; (4) analytic solution to classical two body drag problem; (5) fast variable step size integration algorithm for computer simulations of physiological systems; (6) spectroscopic experimental computer assisted empirical model for the production of energetics of excited oxygen molecules formed by atom recombination shuttle tile surfaces; and (7) capillary priming characteristics of dual passage heat pipe in zero-g.

Robertson, N. G.↗
DOE OSTI2015

Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening

An acoustic high-throughput screening method is described for harvesting protein crystals and combining the protein crystals with chemicals such as a fragment library. Acoustic droplet ejection (ADE) is an emerging technology with broad applications in serial crystallography such as growing, improving and manipulating protein crystals. One application of this technology is to gently transfer crystals onto MiTeGen micromeshes with minimal solvent. Once mounted on a micromesh, each crystal can be combined with different chemicals such as crystal-improving additives or a fragment library. Acoustic crystal mounting is fast (2.33 transfers s{sup −1}) and all transfers occur in a sealed environment that is in vapor equilibrium with the mother liquor. Here, a system is presented to retain crystals near the ejection point and away from the inaccessible dead volume at the bottom of the well by placing the crystals on a concave agarose pedestal (CAP) with the same chemical composition as the crystal mother liquor. The bowl-shaped CAP is impenetrable to crystals. Consequently, gravity will gently move the crystals into the optimal location for acoustic ejection. It is demonstrated that an agarose pedestal of this type is compatible with most commercially available crystallization conditions and that protein crystals are readily transferred from the agarose pedestal onto micromeshes with no loss in diffraction quality. It is also shown that crystals can be grown directly on CAPs, which avoids the need to transfer the crystals from the hanging drop to a CAP. This technology has been used to combine thermolysin and lysozyme crystals with an assortment of anomalously scattering heavy atoms. The results point towards a fast nanolitre method for crystal mounting and high-throughput screening.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High Density of Strong yet Deformable Intermetallic Nanorods Leads to an Excellent Room Temperature Strength-Ductility Combination in a High Entropy Alloy

This paper introduces a new microstructural template for high entropy alloys (HEAs), where the face centered cubic (FCC) complex concentrated solid solution is reinforced with a high density of strong, yet deformable, nanorods of an ordered multi-component intermetallic L12 compound. Thermodynamic modeling has been employed to design this HEA with a large L12 volume fraction. Thermo-mechanical processing by isothermal annealing of the conventionally processed bulk cold-rolled alloy directly at precipitation temperatures, has been applied to produce a high density of uniformly distributed L12 nanorods within refined FCC grains, resulting from concomitant recrystallization and discontinuous precipitation processes. The nanorod morphology of the discontinuous L12 product has been established from three-dimensional atom probe tomography. The refined grains result in a complete coverage of the microstructure with discontinuously precipitated intermetallic nanorods. This nanorod strengthened HEA exhibits an exceptionally high room temperature yield strength of ~1630 MPa, good tensile ductility of ~15%, and an ultimate tensile strength of ~1720 MPa. Furthermore, a single L12 phase alloy, melted based on the precipitate composition in the two-phase FCC + L12 HEA, exhibits very high compressive deformability and strain hardenability, unusual for ordered intermetallic compounds. These results open a new strategy for design of fine-grained microstructures strengthened via ordered intermetallic phases, exploiting the beneficial effects of discontinuous precipitation, for achieving very high room temperature tensile strengths while maintaining good ductility.

Gwalani, Bharat↗
DOE OSTI2023

Enhancing lithium storage performance of bimetallic oxides anode by synergistic effects

Spinel bimetallic transition metal oxide anode such as ZnMn 2 O 4 , has drawn increasing interest due to attractive bimetal interaction and high theoretical capacity. While it suffers from huge volume expansion and poor ionic/electronic conductivity. Nanosizing and carbon modification can alleviate these issues, while the optimal particle size within host is unclear yet. We here propose an in-situ confinement growth strategy to fabricate pomegranate-structured ZnMn 2 O 4 nanocomposite with calculated optimal particle size in mesoporous carbon host. Theoretical calculations reveal favorable interatomic interactions between the metal atoms. Further, by the synergistic effects of structural merits and bimetal interaction, the optimal ZnMn 2 O 4 composite achieves greatly improved cycling stability (811 mAh g -1 at 0.2 A g -1 after 100 cycles), which can maintain its structural integrity upon cycling. X-ray absorption spectroscopy analysis further confirms delithiated Mn species (Mn 2 O 3 but little MnO). Briefly, this strategy brings new opportunity to ZnMn 2 O 4 anode, which could be adopted to other conversion/alloying-type electrodes.

25 ENERGY STORAGE↗
DOE OSTI2015

Experimental and ab initio studies on sub-lattice ordering and magnetism in Co{sub 2}Fe(Ge{sub 1−x}Si{sub x}) alloys

Crystallographic and magnetic properties of bulk Co{sub 2}Fe(Ge{sub 1−x}Si{sub x}) alloys with 0 ≤ x ≤ 1, synthesized by arc melting method, have been studied. Co{sub 2}FeSi alloy has been found to crystallize with L2{sub 1} structure, but the super-lattice peaks are absent in the X-ray diffraction patterns of alloys containing high Ge concentration. Unit cell volume of this series of alloys decreased from 185.2 to 178.5 Å{sup 3} as Si content was increased from 0 to 1.00. All alloy compositions exhibit ferromagnetic behavior with a high Curie temperature (T{sub C}). T{sub C} showed a systematic variation with x. A comparison between the values of saturation magnetization (M{sub s}) and effective moment per magnetic atom p{sub c} estimated from the temperature dependent susceptibility data above T{sub C}, shows that the alloys have half-metallic character. The alloy with x = 0 follows Slater-Pauling (S-P) rule with M{sub s} of 5.99μ{sub B}. However, M{sub s} for the alloy with x = 1.00 was found to be 5.42μ{sub B}, which is lower than the value of 6.0μ{sub B} predicted by S-P rule. Since atomic disorder is known to affect the M{sub s} and electronic structure of these alloys, ab initio calculations were carried out to explain the deviation in observed M{sub s} from S-P rule prediction and the half-metallic character of the alloys. Ab initio calculations reveal that alloys with L2{sub 1} structure have M{sub s} value as predicted by S-P rule. However, introduction of 12.5% DO{sub 3} disorder, which occurs due to swapping of Co and Fe atoms in the unit cell, decreases M{sub s} of alloys with x > 0 from the S-P prediction to values obtained experimentally. The results analyzed from the view point of electronic structure of the alloys in different ordered states bring out the influence of disorder on the observed magnetic properties of these technologically important alloys.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Alloying effects on structural and thermal behavior of Ti{sub 1-x}Zr{sub x}C: A first principles study

The formation energy, equilibrium lattice parameter, bulk modulus, Debye temperature and heat capacity at constant volume have been calculated for TiC, ZrC, and their intermediate alloys (Ti{sub 1-x}Zr{sub x}C, x = 0,0.25.0.5,0.75,1) using first principles approach. The calculated values of lattice parameter and bulk modulus agree well with the available experimental and earlier theoretical reports. The variation of lattice parameter and bulk modulus with the change in concentration of Zr atom in Ti{sub 1-x}Zr{sub x}C has also been reported. The heat capacities of TiC, ZrC, and their intermediate alloys have been calculated by considering both vibrational and electronic contributions.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Signatures and Methods for the Automated Nondestructive Assay of UF6 Cylinders at Uranium Enrichment Plants

International Atomic Energy Agency (IAEA) inspectors currently perform periodic inspections at uranium enrichment plants to verify UF6 cylinder enrichment declarations. Measurements are typically performed with handheld high-resolution sensors on a sampling of cylinders taken to be representative of the facility’s entire cylinder inventory. These measurements are time-consuming, expensive, and assay only a small fraction of the total cylinder volume. An automated nondestructive assay system capable of providing enrichment measurements over the full volume of the cylinder could improve upon current verification practices in terms of manpower and assay accuracy. Such a station would use sensors that can be operated in an unattended mode at an industrial facility: medium-resolution scintillators for gamma-ray spectroscopy (e.g., NaI(Tl)) and moderated He-3 neutron detectors. This sensor combination allows the exploitation of additional, more-penetrating signatures beyond the traditional 185-keV emission from U-235: neutrons produced from F-19(α,n) reactions (spawned primarily from U 234 alpha emission) and high-energy gamma rays (extending up to 8 MeV) induced by neutrons interacting in the steel cylinder. This paper describes a study of these non-traditional signatures for the purposes of cylinder enrichment verification. The signatures and the radiation sensors designed to collect them are described, as are proof-of-principle cylinder measurements and analyses. Key sources of systematic uncertainty in the non-traditional signatures are discussed, and the potential benefits of utilizing these non-traditional signatures, in concert with an automated form of the traditional 185-keV-based assay, are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Epitaxial Growth of Cadmium Selenide Films on Silicon with a Silicon Carbide Buffer Layer

An epitaxial cubic 350-nm-thick cadmium selenide has been grown on silicon for the first time by the method of evaporation and condensation in a quasi-closed volume. It is revealed that, in this method, the optimum substrate temperature is 590°C, the evaporator temperature is 660°C, and the growth time is 2 s. To avoid silicon etching by selenium with formation of amorphous SiSe{sub 2}, a high-quality ~100-nm-thick buffer silicon carbide layer has been synthesized on the silicon surface by substituting atoms. The powder diffraction pattern and the Raman spectrum unambiguously correspond to cubic cadmium selenide crystal. The ellipsometric, Raman, and electron diffraction analyses demonstrate high structural perfection of the cadmium selenide layer and the absence of a polycrystalline phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic Properties of Hydrides of RNi{sub 1 –} {sub x}Si{sub x} Compounds (R = Dy, Gd, x = 0.05, 0.02)

The magnetic properties of intermetallic compounds GdNi{sub 0.98}Si{sub 0.02} and DyNi{sub 0.95}Si{sub 0.05} and hydrides based on them have been studied. It is found that a partial substitution of Si atoms for Ni atoms does not cause significant changes in the magnetic characteristics such as the Curie temperature. At the same time, incorporation of hydrogen into the crystal lattice of the GdNi{sub 0.98}Si{sub 0.02} and DyNi{sub 0.95}Si{sub 0.05} compounds leads to significant decrease in the Curie temperature, attenuation of exchange interactions due to significant increase in the unit cell volume (more than 20%), and an increase in the distances between magnetoactive ions. The magnetism of the initial and also hydrogenated compositions are mainly determined by the contribution from the subsystem of the rare-earth ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

High purith low defect FZ silicon

The most common intrinsic defects in dislocation-free float zone (FZ) silicon crystals are the A- and B-type swirl defects. The mechanisms of their formation and annihilation have been extensively studied. Another type of defect in dislocation-free FZ crystals is referred to as a D-type defect. Concentrations of these defects can be minimized by optimizing the growth conditions, and the residual swirls can be reduced by the post-growth extrinsic gettering process. Czochralski (Cz) silicon wafers are known to exhibit higher resistance to slip and warpage due to thermal stress than do FZ wafers. The Cz crystals containing dislocations are more resistant to dislocation movement than dislocated FZ crystals because of the locking of dislocations by oxygen atoms present in the Cz crystals. Recently a transverse magnetic field was applied during the FZ growth of extrinsic silicon. Resultant flow patterns, as revealed by striation etching and spreading resistance in Ga-doped silicon crystals, indicate strong effects of the transverse magnetic field on the circulation within the melt. At fields of 5500 gauss, the fluid flow in the melt volume is so altered as to affect the morphology of the growing crystal.

Kimura, H.↗
DOE OSTI2011

Prototype Radiation Detector Positioning System For The Automated Nondestructive Assay Of Uf6 Cylinders

International Atomic Energy Agency (IAEA) inspectors currently perform periodic inspections at uranium enrichment plants to verify UF6 cylinder enrichment declarations. Measurements are typically performed with handheld high-resolution sensors on a sampling of cylinders taken to be representative of the facility’s entire cylinder inventory. These measurements are time-consuming, expensive, and assay only a small fraction of the total cylinder volume. An automated nondestructive assay system capable of providing enrichment measurements over the full volume of the cylinder could improve upon current verification practices in terms of efficiency and assay accuracy. This paper describes an approach denoted the Integrated Cylinder Verification Station (ICVS) that supports 100% cylinder verification, provides volume-averaged cylinder enrichment assay, and reduces inspector manpower needs. To allow field measurements to be collected to validate data collection algorithms, a prototype radiation detector positioning system was constructed. The system was designed to accurately position an array of radiation detectors along the length of a cylinder to measure UF6 enrichment. A number of alternative radiation shields for the detectors were included with the system. A collimated gamma-ray spectrometer module that allows translation of the detectors in the surrounding shielding to adjust the field of view, and a collimating plug in the end to further reduce the low-energy field of view, were also developed. Proof-of-principle measurements of neutron and high-energy gamma-ray signatures, using moderated neutron detectors and large-volume spectrometers in a fixed-geometry, portal-like configuration, supported an early assessment of the viability of the concept. The system has been used successfully on two testing campaigns at an AREVA fuel fabrication plant to scan over 30 product cylinders. This paper will describe the overall design of the detector positioning system and provide an overview of the Integrated Cylinder Verification Station (ICVS) approach.

assay↗