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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Synthesis routes to eliminate oxide impurity segregation and their influence on intergrain connectivity in K-doped BaFe 2 As 2 polycrystalline bulks

The poor reproducibility of intergrain critical current density $J_c$ in Fe-based superconductors is often believed to result from uncontrolled grain boundary (GB) connectivity degraded by extrinsic factors such as the local or global impurity concentration or GB porosity or cracks. Earlier we found that Ba and K can appear as oxide impurities at GBs, along with GB-wetting FeAs. In this study, we evaluated how the sample preparation environment and purity of the starting materials influence the polycrystalline $J_c$ in K-doped BaFe 2 As 2 (Ba122) bulks. Using a high-performance glovebox, the oxygen and water levels were significantly reduced, eliminating traces of FeAs. We report oxide impurities and Ba (or K) segregation associated with oxygen in the starting materials were significantly reduced by using high purity starting materials. This combination essentially doubled the best $J_c$(4.2 K) values to 2.3 × 10 5 at self-field and 1.6 × 10 4 A cm –2 at 10 T and analytical scanning transmission electron microscopy showed no GB or O segregation in the best samples, but did show dark Z-contrast and distinct nanoscale porosity. Our work shows that an inert synthesis environment and high purity K and Ba do reduce current-blocking oxygen impurity and GB impurity phases, allowing deeper exploration of the role of extrinsic and intrinsic GB blocking effects in controlling the $J_c$ of polycrystalline Ba122.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Approaching the Practical Conductivity Limits of Aerosol Jet Printed Silver

Previous efforts to directly write conductive metals have been narrowly focused on nanoparticle ink suspensions that require aggressive sintering (>200°C) and result in low-density, small-grained agglomerates with electrical conductivities <25% of bulk metal. Here, we demonstrate aerosol jet printing of a reactive ink solution and characterize high-density (93%) printed silver traces having near-bulk conductivity and grain sizes greater than the electron mean free path, while only requiring low temperature (80°C) treatment. We have developed a predictive electronic transport model which correlates the microstructure to the measured conductivity and identifies a strategy to approach the practical conductivity limit for printed metals. Our analysis of how grain boundaries and tortuosity contribute to electrical resistivity provides insight into the basic materials science that governs how an ink formulator or process developer might approach improving the conductivity. Transmission line measurements validate that electrical properties are preserved up to 20GHz, which demonstrates the utility of this technique for printed RF components. Finally, this work reveals a new method of producing robust printed electronics that retain the advantages of rapid prototyping and three-dimensional fabrication while achieving the performance necessary for success within the aerospace and communications industries.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Quantitative Understanding and Implementation of Screen Printed p+ Poly-Si/Oxide Passivated Contact to Enhance the Efficiency of p-PERC Cells

This paper reports on the modeling, optimization and implementation of p-TOPCon (tunnel oxide passivated contacts) on the rear side of a PERC to enhance its efficiency. Local Al-BSF of a traditional PERC was replaced by p+ polySi/oxide passivated contact composed of ~15Å thick chemically grown tunnel oxide, capped with 120-250nm thick p+ poly-Si layer grown by LPCVD. Process optimization resulted in full area unmetallized saturated current density (Jo) of ~ 5fA/cm2 for planar surface, nearly independent of poly-Si thickness in the range. Metallized J0 showed an increase with decreased poly-Si thickness and was found to be 9.6 and ~25fA/cm2 for 250nm and 120 nm polySi, respectively, with 4.6% direct metal-Si contact fraction, suitable for bifacial cells. A 21.4% efficient baseline PERC cell with local BSF was fabricated and analyzed to extract the rear side saturation current density (J0b’) of 66fA/cm2. Model calculations showed that by replacing this local BSF with 250nm TopCon developed in the study showed some Voc enhancement of 7mV, consistent with the observed Voc increase of 10mV. Model calculations also reveal that a more advanced LBSF PERC with better bulk lifetime and emitter saturation current density can extends its potential gain up to 0.4% in cell efficiency from the integration of p-TOPCon.

14 SOLAR ENERGY↗
DOE OSTI2019

Extension of the eigenstate thermalization hypothesis to nonequilibrium steady states

We extend the notion of the eigenstate thermalization hypothesis (ETH) to open quantum systems governed by the Gorini-Kossakowski-Lindblad-Sudarshan (GKLS) master equation. We present evidence that the eigenstates of nonequilibrium steady-state (NESS) density matrices obey a generalization of ETH in boundary-driven systems when the bulk Hamiltonian is nonintegrable, just as eigenstates of Gibbs density matrices are conjectured to do in equilibrium. Furthermore, this generalized ETH, which we call NESS ETH, can be used to obtain representative pure states that reproduce the expectation values of few-body operators in the NESS. The density matrices of these representative pure states can be further interpreted as weak solutions of the GKLS master equation. Additionally, we explore the validity and breakdown of NESS-ETH in the presence of symmetries, integrability, and many-body localization in the bulk Hamiltonian.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Genetic analyses of leaf traits in an interspecific Zoysia japonica × Zoysia matrella F2 population

Zoysiagrass (Zoysia spp.) is an important warm-season turfgrass cultivated across tropical, subtropical, and temperate regions of the world. The genus is characterized by the presence of salt-secreting glands on the adaxial leaf surface, which contribute to its high salt tolerance. In this study, we analyzed an interspecific F2 population, derived from selfing an F1 from a cross between Z. japonica acc. Meyer and Z. matrella acc. PI 231146, for variation in adaxial salt gland density, leaf width, and vein count. Using composite interval mapping with a previously constructed genetic map as a framework, we identified three quantitative trait loci (QTL) for leaf width, two QTL for vein count, and two QTL for salt gland density. We complemented the QTL analysis with bulked segregant RNA-seq (BSR-seq) to identify shared genomic regions and candidate genes for leaf width and salt gland density. BSR-seq identified four trait-associated regions, but only a single region identified for leaf width on Chr08 overlapped with a QTL for the same trait. We highlight putative candidate genes underlying the leaf width and salt gland density QTL and discuss their potential roles in leaf development. Together, the QTL and candidate genes provide an important resource for breeding stress-resilient Zoysia germplasm.

Pradhan, Shreena [University of Georgia, Athens]↗
DOE OSTI2021

Efficient diffusion of superdense lithium via atomic channels for dendrite-free lithium–metal batteries

The non-uniform aggregation of fast-diffused Li on an anode surface would aggravate its tip-effect-induced nucleation/growth, leading to the notorious dendrite growth in Li metal batteries (LMBs). Tuning the Li diffusion on the anode surface has been regarded previously as a mainstream method to induce its uniform deposition, while the diffusion of Li in the anode bulk is usually ignored. In this study, conceptually different from the classic surface modification, we propose a molecular tunnelling strategy to construct atomic channels in graphite bulk, which enables the fast diffusion of superdense Li. Density functional theory calculations and ab initio molecular dynamics simulations prove that the bulk diffusion through atomic channels could become a new and dominating path. Its reversible and efficient diffusion has been further visualized by in situ transmission electron microscopy. As a result, when coupled with high-loading LiFePO 4 cathodes (20 mg cm –2 ), a high areal capacity and 100% capacity retention are achieved over 370 cycles. Through this work a new strategy is developed based on the bulk-diffusion of superdense Li for dendrite-free LMBs, which can be pervasive in other high-performance energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2021

Electronic, magnetic, and optical properties of bulk and (1 1 1)-surfaces of CoMnZnSi quaternary Heusler alloy

The structural stability, electronic structure, and magnetic and optical properties of CoMnZnSi quaternary Heusler alloy (QHA) in the bulk and (1 1 1)-slab forms have been investigated by performing density functional theory (DFT) calculations. Formation and cohesive energies, and elastic constants confirm that the bulk CoMnZnSi is chemically and mechanically stable at an equilibrium lattice parameter of 5.81 Å. The calculated elastic constants also indicate that this QHA has ductile and anisotropic features. We investigate and discuss the bonding behavior from charge density distribution and density of states. Furthermore, these calculations in the bulk phase show a perfect half-metallic behavior with an integer value of magnetic moment (4 µB) and a large spin-flip gap of 0.39 eV. On the other hand, the Co (1 1 1) and Si (1 1 1)-slabs exhibit semi-metallic nature at the Fermi level. These results indicate that CoMnZnSi qualifies for spintronic applications. In the bulk and Co (1 1 1), Zn (1 1 1), and Si (1 1 1)-surfaces, the magnetic moment of Co and Mn atoms are ferromagnetically aligned, while the ferrimagnetic alignment of Co with Mn has been found in Mn (1 1 1)-surface. We also investigate the optimal conductivity, dielectric functions, reflectivity, absorption coefficient, refractive index, and loss function to understand the underlying optical properties of this alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2017

How Correlated is the FeSe / SrTiO 3 System?

Recent observation of ~10 times higher critical temperature in a FeSe monolayer compared with its bulk phase has drawn a great deal of attention because the electronic structure in the monolayer phase appears to be different than bulk FeSe. Using a combination of density functional theory and dynamical mean field theory, we find electronic correlations have important effects on the predicted atomic-scale geometry and the electronic structure of the monolayer FeSe on SrTiO 3 . The electronic correlations are dominantly controlled by the Se-Fe-Se angle either in the bulk phase or the monolayer phase. But the angle sensitivity increases and the orbital differentiation decreases in the monolayer phase compared to the bulk phase. The correlations are more dependent on Hund’s $J$ than Hubbard $U$. The observed orbital selective incoherence to coherence crossover with temperature confirms the Hund’s metallic nature of the monolayer FeSe. We also find electron doping by oxygen vacancies in SrTiO 3 increases the correlation strength, especially in the $d_{xy}$ orbital by reducing the Se-Fe-Se angle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Additively manufactured β-Ti5553 with laser powder bed fusion: Microstructures and mechanical properties of bulk and lattice parts

Ti5553 (Ti-5Al-5Mo-5V-3Cr wt%) is a titanium alloy widely used for its high strength-to-weight ratio and good formability at elevated temperatures. Unlike Ti-6Al-4V, Ti5553 does not undergo martensitic transformation, preventing cracking of brittle martensite upon rapid cooling. This makes it a strong candidate for additive manufacturing (AM), particularly laser powder bed fusion (L-PBF). L-PBF offers the unique opportunity to make fine lattice structures to reduce component weight. Despite the growing field of AM, there have been limited studies on L-PBF Ti5553 lattices and how their properties differ from the bulk. Here the present work addresses this knowledge gap by investigating microstructures and properties of L-PBF bulk and lattice parts and the effect of post L-PBF heat treatments. Electron microscopy and mechanical testing show that the high dislocation density formed during L-PBF increases bulk part’s yield strength by approximately 100 MPa compared to the conventional alloy. Digital image correlation during compression testing of octet truss lattices reveals a layer-by-layer failure mode. Compared to the bulk, the lattice contains copious ω nanoprecipitation, weaker <001> texture, smaller average grain sizes, and larger content of high-angle grain boundaries. These features elicit differences in Taylor factor distributions for the lattice depending on load direction, underlining challenges in predicting lattice mechanical response based on bulk properties. By examining the processing-structure-property relationships in the bulk and lattice, the present results delineate their microstructural and mechanical differences and establish a benchmark for the future design applications of L-PBF Ti5553.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Characterizations of electrical properties of highT(sub c) superconducting materials

The automated data acquisition system developed in the Space Science Laboratory at Marshall Space Flight Center for measuring electrical properties of high temperature superconductors is described. The acquisition system, consisting of a computer and computer-controlled hardware, allows large numbers of voltage, current, temperature, and magnetic measurements to be performed on bulk and thin film samples. Typical results are shown characterizing transition temperature (T sub c), critical current density (J sub c), and magnetic properties of bulk high T(sub c) materials as a function of temperature.

Sisk, R. C.↗
DOE OSTI2019

Effect Laws of Different Factors on Levitation Characteristics of High-T{sub c} Superconducting Maglev System with Numerical Solutions

The interaction between the high-temperature superconducting (HTS) bulk and permanent magnet guideway (PMG) has been a topic among the existing HTS magnetic levitation systems. Up to now, the theories about the electromagnetic and force characteristics have been relatively consummated. Here, using the finite element model by COMSOL Multiphysics 5.3a, we investigated the impact of the intrinsic and external factors on the levitation characteristics of HTS maglev systems, the application laws are concluded. Factors including the critical current density and geometric dimensions of the bulk superconductor, as well as the moving velocity, are discussed. The effects of the multiple back and forth movements are also analyzed. By comparing calculation results of the distributions of the induced current and the levitation force of the bulk superconductor, we can clearly confirm the effect laws of various factors on the electromagnetic characteristics and levitation force. These observations support the physical parameters that are difficult to be tested by experiments. And they also have a significant contribution to the experimental condition selections and optimization of the high-temperature superconducting magnetic levitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

THE HERSCHEL AND IRAM CHESS SPECTRAL SURVEYS OF THE PROTOSTELLAR SHOCK L1157-B1: FOSSIL DEUTERATION

We present the first study of deuteration toward the protostellar shock L1157-B1, based on spectral surveys performed with the Herschel-HIFI and IRAM 30 m telescopes. The L1157 outflow is driven by a low-mass Class 0 protostar and is considered the prototype of the so-called chemically active outflows. The young (2000 yr), bright blueshifted bow shock, B1, is an ideal laboratory for studying the gas chemically enriched by the release of dust mantles due to the passage of a shock. A total of 12 emission lines (up to E{sub u} = 63 K) of CH{sub 2}DOH, HDCO, and DCN are detected. In addition, two lines of NH{sub 2}D and HDO are tentatively reported. To estimate the deuteration, we also extracted from our spectral survey emission lines of non-deuterated isotopologues ({sup 13}CH{sub 3}OH, H{sub 2} {sup 13}CO, H{sup 13}CN, H{sub 2} {sup 13}CO, and NH{sub 3}). We infer higher deuteration fractions for CH{sub 3}OH (D/H = 0.2-2 Multiplication-Sign 10{sup -2}) and H{sub 2}CO (5-8 Multiplication-Sign 10{sup -3}) than for H{sub 2}O (0.4-2 Multiplication-Sign 10{sup -3}), HCN ({approx}10{sup -3}), and ammonia ({<=}3 Multiplication-Sign 10{sup -2}). The measurement of deuteration of water, formaldehyde, and methanol in L1157-B1 provides a fossil record of the gas before it was shocked by the jet driven by the protostar. A comparison with gas-grain models indicates that the gas passed through a low-density ({<=}10{sup 3} cm{sup -3}) phase, during which the bulk of water ices formed, followed by a phase of increasing density, up to 3 Multiplication-Sign 10{sup 4} cm{sup -3}, during which formaldehyde and methanol ices formed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Manufacturing of Advanced Alnico Magnets for Energy Efficient Traction Drive Motors CRADA Final Report

The primary theme of this Technology Commercialization Fund (TCF) project was refining the pre-alloyed powder processing approach (with alnico 8, modified for higher coercivity) of that came out of the previous Development of Radically Enhanced alnico Magnets (DREaM) project to permit full size net-shape alnico magnets to be produced in a reproducible manner that could allow testing in an advanced Permanent Magnet (PM) drive motor. Previously, a lack of sufficient coercivity in alnico magnets limits their energy product and their application in automotive traction drive motors, despite their high temperature stability. Use of enhanced sintered alnico magnets, instead of rare earth (RE) magnets or larger cast alnico magnets, could lower costs and decrease cooling needs of these motors. Conventional production of the best (aligned) alnico magnets (alnico 9) involves costly directional solidification (DS) and achieves good alignment, but modest energy product (10 MGOe), because of low coercivity. Other limitations of cast alnico 9 magnets are poor mechanical properties and difficulty in scaling special casting molds to mass production. In spite of these problems with alnico 9, a commercial electric motor company, UQM, developed a fully capable traction drive motor that met many 2022 DOE-VTO performance targets, except full speed operation, due to brittle mechanical behavior. While UQM demonstrated an advanced drive motor that used alnico 9, they also encouraged the development of improved alnico, especially for greater coercivity (seeking 2X) and improved mechanical properties. While commercial sintered alnico magnets are less brittle and have improved coercivity, they have an inferior energy product due to their non-aligned, fine-grained microstructure. Thus, full development and up-scaling of well-aligned alnico magnets with a further increase in coercivity and good mechanical properties by a low cost powder processing route became the theme of this TCF project. The processing route for this project involved high-pressure gas atomization, at Ames and Carpenter, of modified alnico 8 compositions, compression molding of the resulting pre-alloyed powders into bulk samples, de-binding and sintering the samples to full density, and a final magneto-thermal treatment of the resulting bulk magnets, at Ames and Arnold Magnetic Technologies, to produce aligned magnets, which were intended for motor testing at UQM and Ford.

42 ENGINEERING↗
NASA NTRS1985

Kapton charging characteristics: Effects of material thickness and electron-energy distribution

Charging characteristics of polyimide (Kapton) of varying thicknesses under irradiation by a very-low-curent-density electron beam, with the back surface of the sample grounded are reported. These charging characteristics are in good agreement with a simple analytical model which predicts that in thin samples at low current density, sample surface potential is limited by conduction leakage through the bulk material. The charging of Kapton in a low-current-density electron beam in which the beam energy was modulated to simulate Maxwellian and biMaxwellian distribution functions is measured.

Williamson, W. S.↗
DOE OSTI2012

Effect of pressure and composition on lattice parameters and unit-cell volume of (Fe,Mg)SiO[subscript 3] post-perovskite

We obtained unit-cell volumes (V) for (Fe{sub 0.2}Mg{sub 0.8})SiO{sub 3} and (Fe{sub 0.4}Mg{sub 0.6})SiO{sub 3} post-perovskite (PPv) over a pressure (P) range of 80-145 GPa by in-situ X-ray diffraction (XRD) measurements in laser-heated diamond anvil cells (DACs). Our study suggests that the PPv structure is highly resistant to back transformation to Pv and (Fe{sub 0.4}Mg{sub 0.6})SiO{sub 3} PPv was preserved down to 80 GPa upon laser heating during decompression before transforming to pure perovskite (Pv). The bulk modulus (K{sub 0}) of PPv was determined to be 215(1) and 198(1) GPa for (Fe{sub 0.2}Mg{sub 0.8})SiO{sub 3} and (Fe{sub 0.4}Mg{sub 0.6})SiO{sub 3} PPv respectively, with a fixed K'{sub 0} = 4. The substitution of Fe for Mg in PPv results in the largest expansion along the b-axis among all three axes and the expansion of the b-axis is nearly independent of pressure whereas the expansion along the a and c directions slightly decreases with increasing pressure. Combining our results with previous studies on (Fe{sub x},Mg{sub 1-x})SiO{sub 3} PPv (x = 0, 0.09, 0.1) shows that the bulk modulus of PPv decreases with increasing Fe content over a composition range x = 0 to 0.4, varying from 231 GPa for x = 0 to 198 GPa for x = 0.4 with zero pressure volumes scaled to composition, V{sub 0} ({angstrom}{sup 3}) = 162.2 + 19.5x and fixed K'{sub 0} = 4.0. The increase of Fe content in PPv from x = 0 to 0.4 results in a 6.3% increase in density and a 5.3% decrease in bulk sound velocity at 130 GPa.

58 GEOSCIENCES↗
DOE OSTI2016

A coarse-grain force field for RDX: Density dependent and energy conserving

We describe the development of a density-dependent transferable coarse-grain model of crystalline hexahydro-1,3,5-trinitro-s-triazine (RDX) that can be used with the energy conserving dissipative particle dynamics method. The model is an extension of a recently reported one-site model of RDX that was developed by using a force-matching method. The density-dependent forces in that original model are provided through an interpolation scheme that poorly conserves energy. The development of the new model presented in this work first involved a multi-objective procedure to improve the structural and thermodynamic properties of the previous model, followed by the inclusion of the density dependency via a conservative form of the force field that conserves energy. The new model accurately predicts the density, structure, pressure-volume isotherm, bulk modulus, and elastic constants of the RDX crystal at ambient pressure and exhibits transferability to a liquid phase at melt conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Diffraction enhance x-ray imaging for quantitative phase contrast studies

Conventional X-ray imaging based on absorption contrast permits limited visibility of feature having small density and thickness variations. For imaging of weakly absorbing material or materials possessing similar densities, a novel phase contrast imaging techniques called diffraction enhanced imaging has been designed and developed at imaging beamline Indus-2 RRCAT Indore. The technique provides improved visibility of the interfaces and show high contrast in the image forsmall density or thickness gradients in the bulk. This paper presents basic principle, instrumentation and analysis methods for this technique. Initial results of quantitative phase retrieval carried out on various samples have also been presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Surface photovoltage method for the quality control of silicon epitaxial layers on sapphire

The surface photovoltage method is used to study “silicon-on-sapphire” epitaxial layers with a thickness of 0.3–0.6 μm, which are used to fabricate p-channel MOS (metal—oxide-semiconductor) transistors with improved radiation hardness. It is shown that the manner in which the photoconductivity of the epitaxial layer decays after the end of a light pulse generated by a light-emitting diode (wavelength ∼400 nm) strongly depends on the density of structural defects in the bulk of the structure. This enables control over how a “silicon-on-sapphire” structure is formed to provide the manufacturing of MOS structures with optimal operating characteristics.

36 MATERIALS SCIENCE↗