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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A thermal study of amorphous and textured carbon and carbon nitride thin films via transient grating spectroscopy

Here in this study, we are considering a novel way of growing carbon nitride (CN) films by using High Power Impulse Magnetron Sputtering (HiPIMS). Carbon and CN thin films were grown on silicon substrate with varying nanocrystalline texturing: some samples were amorphous while others were either nanocrystalline graphite (for the carbon sample) or fullerene-like (for the CN sample), with both samples having a graphitic nanostructure vertically ordered throughout the film. Their thermal diffusivity was computed using transient grating spectroscopy in order to compare the impact of the material's nanostructure on its thermal property as well as benchmarking the performance of CN. It was found that the thermal properties of carbon thin films were decreased when doped with nitrogen, which is attributed to the increased atomic disorder introduced by the nitrogen cross-linking, impacting the phonon propagation. The impact of nitrogen doping on thermal properties opens new avenues in engineering materials with tailored and varying thermal properties at the microscale.

42 ENGINEERING↗
DOE OSTI2019

Origin of 16 O-rich fine-grained Ca-Al-rich inclusions of different mineralogy and texture

We conducted a coordinated mineralogical and oxygen isotopic study of four fine-grained calcium-, aluminum-rich inclusions (CAIs) from the ALHA77307 CO3.0 carbonaceous chondrite. Three of the inclusions studied, 05, 1-65, and 2-119, all have nodular structures that represent three major groups, melilite-rich, spinel-rich, and hibonite-rich, based on their primary core mineral assemblages. A condensation origin was inferred for these CAIs. However, the difference in their primary core mineralogy reflects unique nebular environments in which multiple gas-solid reactions occurred under disequilibrium conditions to form hibonite, spinel, and melilite with minor perovskite and Al,Ti-rich diopside. A common occurrence of a diopside rim on the CAIs records a widespread event that marks the end of their condensation as a result of isolation from a nebular gas. An exception is a rare inclusion 2-112 that contains euhedral spinel crystals embedded in melilite, suggesting this CAI had been re-melted. All of the fine-grained CAIs analyzed in ALHA77307 are 16 O-rich with an average Δ 17 O value of ~-22 ± 5‰ (2σ), indicating no apparent correlation between their textures and oxygen isotopic compositions. We therefore conclude that a prevalent 16 O-rich gas reservoir existed in a region of the solar nebula where CO3 fine-grained CAIs formed, initially by condensation and then later, some of them were reprocessed by melting event(s).

58 GEOSCIENCES↗
DOE OSTI2024

Virtual texture analysis to understand microstructure effects on deformation twinning and detwinning behavior in BCC metals

Understanding and predicting deformation twinning contributions to plastic deformation in BCC metals has been a long-standing challenge due to the interplay with dislocation slip and non-Schmid effects that render an asymmetry under tension and compression. This paper uses molecular dynamics simulations to understand the effect of unloading and grain orientation on deformation twinning in a nanocrystalline Fe (nc-Fe) system as a model BCC metal. The nc-Fe system is loaded under uniaxial stress tension and compression to understand the effect of grain orientation (Schmid effects) on deformation twinning behavior and the tension/compression asymmetry (non-Schmid effects). A new virtual texture analysis “VirTex” tool is used to understand the role of grain orientation on the nucleation of twins and their contributions to the observed stress–strain response. For certain grain orientations, the twinnability is observed to be different in tension and compression. In addition, the flow stress accommodation from twins in certain grains is observed to be different in tension and compression and different from that for the grains. Subsequent unloading leads to detwinning in the deformed microstructures, where the extent of detwinning depends on the strain from which the system is unloaded and on the morphology of the twin. Lastly, the simulations are carried out to analyze the role of the Schmid factor on the twinnability and asymmetry in tension and compression.

Kannan, Aadhithyan [University of Connecticut, Sto↗
DOE OSTI2016

Soil type and texture impacts on soil organic carbon accumulation in a sub-tropical agro-ecosystem

Soil organic carbon (C) plays a fundamental role in tropical and subtropical soil fertility, agronomic productivity, and soil health. As a tool for understand ecosystems dynamics, mathematical models such as Century have been used to assess soil's capacity to store C in different environments. However, as Century was initially developed for temperate ecosystems, several authors have hypothesized that C storage may be underestimated by Century in Oxisols. We tested the hypothesis that Century model can be parameterized for tropical soils and used to reliably estimate soil organic carbon (SOC) storage. The aim of this study was to investigate SOC storage under two soil types and three textural classes and quantify the sources and magnitude of uncertainty using the Century model. The simulation for SOC storage was efficient and the mean residue was 10 Mg C ha -1 (13%) for n = 91. However, a different simulation bias was observed for soil with <600 g kg -1 of clay was 16.3 Mg C ha -1 (18%) for n = 30, and at >600 g kg -1 of clay, was 4 Mg C ha -1 (5%) for n = 50, respectively. The results suggest a non-linear effect of clay and silt contents on C storage in Oxisols. All types of soil contain nearly 70% of Fe and Al oxides in the clay fraction and a regression analysis showed an increase in model bias with increase in oxides content. Consequently, inclusion of mineralogical control of SOC stabilization by Fe and Al (hydro) oxides may improve results of Century model simulations in soils with high oxides contents

Century model↗
DOE OSTI2019

Effect of Sb substitution on crystal structure, texture and hard magnetic properties of melt-spun MnBi alloys

Melt-spun Mn 50 Bi 50-x Sb x alloys with x ≤ 5 were prepared at different solidification rates and characterized both in the as-spun state and after annealing. In the as-spun alloys, the Sb substitution leads to the formation of a metastable phase, similar to the binary "quenched high-temperature phase" but without the superstructure of the latter and exhibiting a different – increasing – temperature dependence of coercivity. The new nanocrystalline metastable phase is not only itself characterized by a high room-temperature coercivity (in excess of 20 kOe), but upon annealing it transforms into a high-coercivity (up to 13.5 kOe) "low-temperature" α phase. However, the advantage of obtaining a high coercivity without the otherwise required milling made possible by the Sb substitution is undermined by the absence of a local crystallographic texture in the melt-spun alloys. The best combination of the isotropic hard magnetic properties realized for the Mn 55 Bi 43.5 Sb 1.5 composition is a remanence of 35.5 emu/g and a coercivity of 8.1 kOe. The annealed Sb-free Mn 50 Bi 50 alloys did possess a local crystallographic alignment and, for high solidification rates, a moderate coercivity up to 5.6 kOe; however, they had an inadequate "rectangularity" in the demagnetization curve. The orthorhombic compound known as MnBi 0.9 Sb 0.1 and described earlier as antiferromagnetic was obtained in the annealed ribbons with x ≈ 5. The compound was found to order ferromagnetically between 200 K and ≈250 K and to exhibit a significant coercivity, 14.3 kOe at 50 K. Here, it is suggested that the MnBi 0.9 Sb 0.1 may actually be a Sb-stabilized "new phase" observed earlier as metastable in the Bi–MnBi eutectic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Theoretical and experimental study of highly textured GaAs on silicon using a graphene buffer layer

A novel heteroepitaxial growth technique, quasi-van der Waals epitaxy, promises the ability to deposit three-dimensional GaAs materials on silicon using two-dimensional graphene as a buffer layer by overcoming the lattice and thermal expansion mismatch. In this study, density functional theory (DFT) simulations were performed to understand the interactions at the GaAs/graphene hetero-interface as well as the growth orientations of GaAs on graphene. To develop a better understanding of the molecular beam epitaxy-grown GaAs films on graphene, samples were characterized by x-ray diffraction (..theta..-2..theta.. scan, ..omega..-scan, grazing incidence XRD and pole figure measurement) and transmission electron microscopy. The realizations of smooth GaAs films with a strong (111) oriented fiber-texture on graphene/silicon using this deposition technique are a milestone towards an eventual demonstration of the epitaxial growth of GaAs on silicon, which is necessary for integrated photonics application.

14 SOLAR ENERGY↗
DOE OSTI2019

Low-energy helium plasma effects on textured micro-porous tungsten

The effects of low-energy helium plasma on surface evolution and restructuring of micro-porous tungsten and tungsten-rhenium micro-engineered materials was experimentally investigated. Tungsten foam samples of 45 and 80 Pores Per Inch (PPI) of three types of textured surface architecture (nodular W, dense Re-pillars, and W-coated Re-pillars) were exposed to low-energy helium plasma at 80 and 200 eV to fluence levels of 1, 2, and 7 x 10 25 m -2 at 1123 K. The sidewalls of Re pillars exhibited surface holes due to trapped helium while their tips were found to form complex nano-scale web structures, 100's of microns across, rather than nano-tendrils (fuzz) that are often observed in flat W samples. A nano-necklace bead/string structure was observed for the first time on Re pillars, likely driven by a high density of nano-meter size helium bubbles crowded near pillar tips. W-coated Re pillars exhibited typical fuzz nanostructures seen on flat and untextured W-foam, albeit much shorter. While the height of W-fuzz was found to depend on the square root of ion fluence, the nano-web height was found to be linearly dependent on ion fluence. The fuzz was found to grow much slower on nodular foams as compared to planar tungsten, by as much as 25% slower in the W-coated Re pillar samples. Weight loss due to ion sputtering was found to be significantly reduced in nodular foam as compared to planar tungsten, but was found to be more pronounced with Re pillars. Surface coverage by nano-webs may provide insulation against plasma disruptions and act as a passive Thermal Protection System (TPS) that may be ablated during severe plasma disruptions, thus protecting the underlying surface. W-pillars or W-coated Re-pillars are found to allow trapped helium to diffuse out of the surface instead of building up sub-surface stress.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A comprehensive investigation of the strengthening effects of dislocations, texture and low and high angle grain boundaries in ultrafine grained AA6063 aluminum alloy

Highlights: • Evolution of microstructure and mechanical properties of AA6063 after severe plastic deformation was investigated. • Average cell size shows a more solid relationship with mechanical properties rather than the average grain size. • This indicates that in addition to high angle boundaries, cell boundaries play a strengthening role. - Abstract: The effect of equal channel angular pressing (ECAP) on the microstructure and mechanical properties of AA6063 aluminum alloy was investigated. For this purpose, samples of AA6063 aluminum alloy were deformed up to 10 passes using ECAP and the evolution of microstructure, texture and dislocation density was investigated. It was found that the dislocation density increased and cells mostly surrounded by low angle boundaries (LABs) formed after 2 passes ECAP. Increasing the dislocation density continued with further processing and reached a maximum at the 4th ECAP pass. With further deformation to 6 passes, the dislocation density reduced, the fraction of high angle boundaries (HABs) increased and the averages of cell size and grain size reduced, significantly, which indicated the occurrence of grain refinement. However, a slight increase in dislocation density, average cell size (ACS) and average grain size (AGS), indicating coarsening, occurred when 10 passes of ECAP are imposed. Hardness, yield (YS) and ultimate tensile strength (UTS) increased continuously although the most significant enhancement occurred after 2 passes of ECAP. Investigating the correlation between the microstructure and mechanical properties indicated that Hall-Petch relationship was valid for ultrafine grained AA6063 before the coarsening started provided that the property of interest was correlated to average cell size but not the average grain size.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Texture and precipitation behavior of friction stir welded Inconel 825 alloy

The microstructure, texture pattern, and precipitation behavior of friction stir butt welded Inconel 825 alloy are highlighted here. The microstructure of bright regions and black-banded regions in the stir zone (SZ) is characterized by SEM, EBSD, and TEM with EDS. EBSD analysis justifies that the SZ exhibits a dynamic recrystallized structure. Grain boundary mapping corroborates the insignificant difference in the low- and high-angle grain boundaries fraction between the SZ, the thermo-mechanically affected zone, and the base metal. TEM analysis confirms the formation of nano twins and dispersion of nano-size precipitations in the grains, and at the grain boundaries as well. Grain refinement and nano-size precipitation formation in the SZ significantly enhanced both microhardness and tensile strength.

Das, Hrishikesh↗
DOE OSTI2025

Influence of calcium nitrate timing on the structural and textural characteristics of mesoporous SiO 2 -CaO nanoparticles

Mesoporous bioactive glass nanoparticles (MBGNPs) are promising materials for drug delivery due to their high pore volume and specific surface area. This study investigates how the timing of calcium nitrate addition affects the structural and textural characteristics of MBGNPs synthesized via a microemulsion-assisted sol-gel method. Delayed calcium nitrate addition reduced calcium incorporation from 14.2 to 9.5 mol% and increased particle size from 178 ± 51 nm to 256 ± 30 nm. The specific surface area values increased with the delayed addition of calcium nitrate, as observed through BET and USAXS/SAXS measurements. The proportion of Q Si n units slightly changed, but no cytotoxicity was observed in osteoblast-like cells. These findings provide valuable insights into optimizing MBGNP synthesis for biomedical applications.

Calcium nitrate tetrahydrate↗
DOE OSTI2021

Measurement of Poly-Si Film Thickness on Textured Surfaces by X-Ray Diffraction in Poly-Si/SiOx Passivating Contacts for Monocrystalline Si Solar Cells

Polycrystalline Silicon on tunneling silicon oxide (poly-Si/SiOx) passivating contacts have shown great potential for the next-generation monocrystalline Si (c-Si) industrial photovoltaic technology. However, these cells typically suffer from strong parasitic absorption in the thick front poly-Si layer, which is designed to reduce metal-induced recombination. In previous work, we demonstrated an improved short-circuit current density, Jsc, by thinning the front poly-Si film in an SF6 plasma using the front metal grids as a self-aligned mask, but the sub - 100 nm thick poly-Si film is difficult to measure on an alkaline textured surface. Conventional optical techniques such as spectroscopic ellipsometry cannot be used due to the high scattering nature of the random pyramids. At poly-Si thicknesses below 50 nm, secondary electron microscopy (SEM) has difficulty distinguishing the poly-Si from the underlying c-Si substrate. Here, we demonstrate X-ray diffraction as an effective method to quantitatively measure the front poly-Si thickness. The thickness calculated from the diffraction peak height of the Si(111) crystallographic plane agrees well with the cross-section SEM analysis and simulations using SunSolve. We show that by thinning the front poly-Si from 200 to 60 nm, Jsc increased by 2.4 mA/cm2, while maintaining the same Voc. This led to an absolute efficiency gain of 1.73%. In addition, we also discuss possible reasons for the premature loss of passivation before the removal of all poly-Si, which prevented an even higher gain in Jsc.

light/electron beam induced current↗
DOE OSTI2023

Detailed investigation of electrical and optical properties of textured n-type and roughened p-type tunnel oxide passivated contacts for screen-printed double-side passivated contact silicon solar cell application

Here, this paper presents detailed characterization and analyses of the optical, electrical, and contact properties of a 35 nm phosphorus-doped (n-type) polysilicon (poly-Si) and a 250 nm boron-doped (p-type) poly-Si deposited respectively on textured and roughed surface. These layers could be applied respectively to the front and rear sides of an n-type Si to produce back junction bifacial screen-printed double-side tunnel oxide passivated contacts (DS-TOPCon) solar cells. Optical and device modeling revealed a short circuit current density loss of 1.5 mA/cm 2 and 0.5 mA/cm 2 due to absorption in the front n-TOPCon and rear side p-TOPCon layers, respectively. The passivation and contact properties including metalized and unmetallized recombination current density (J 0 ), as well as contact resistivity, were determined as a function of contact firing temperature in the range of 700~800°C. The passivation quality of the front thin n-TOPCon was found to deteriorate with increased firing temperature while the rear thick p-TOPCon improved. The study showed that the simulated contact firing at 730°C resulted in the best unmetallized double-side TOPCon precursor, with an excellent implied open-circuit voltage of 730 mV and implied fill factor of ~86 %. However, the metalized J0 increased and contact resistivity decreased monotonically with the increase in the firing temperature. The 2D device simulations revealed that these layers can produce screen-printed DS-TOPCon cells with an efficiency of ~22.5 %. Solar cell modeling also showed that the DS-TOPCon solar cell efficiency can reach 24.1 % by decreasing the n-TOPCon thickness to 20 nm and lowering the full area metalized J 0 to ~100 mA/cm 2 .

14 SOLAR ENERGY↗
DOE OSTI2019

Topological Magnetic-Spin Textures in Two-Dimensional van der Waals Cr 2 Ge 2 Te 6

Two-dimensional (2D) van der Waals (vdW) materials show a range of profound physical properties that can be tailored through their incorporation in heterostructures and manipulated with external forces. The recent discovery of long-range ferromagnetic order down to atomic layers provides an additional degree of freedom in engineering 2D materials and their heterostructure devices for spintronics, valleytronics, and magnetic tunnel junction switches. In this work, using direct imaging by cryo-Lorentz transmission electron microscopy we show that topologically nontrivial magnetic-spin states, skyrmionic bubbles, can be realized in exfoliated insulating 2D vdW Cr 2 Ge 2 Te 6 . Due to the competition between dipolar interactions and uniaxial magnetic anisotropy, hexagonally packed nanoscale bubble lattices emerge by field cooling with magnetic field applied along the out-of-plane direction. Despite a range of topological spin textures in stripe domains arising due to pair formation and annihilation of Bloch lines, bubble lattices with single chirality are prevalent. In conclusion, our observation of topologically nontrivial homochiral skyrmionic bubbles in exfoliated vdW materials provides a new avenue for novel quantum states in atomically thin insulators for magneto-electronic and quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

α-Quartz Phase Stabilization, Surface Texturing, and Tunable Optical Properties of Nanocrystalline GeO 2 Films Made by Pulsed-Laser Deposition: Implications for Optical and Optoelectronic Applications

Germanium oxide (GeO 2 ) has great potential in multifunctional devices and next-generation power electronics due to its high thermal conductivity and ambipolar doping capability. However, the complexity of synthesizing the desirable polymorph with a controlled phase, surface/interface quality, microstructure, and functional properties is the main barrier to GeO 2 utilization in advanced applications. Here, in this regard, we present a method to realize the hexagonal (h) or a-quartz type GeO 2 with nano-textured surface morphology on sapphire substrates using a hybrid synthesis strategy that comprises pulsed laser deposition (PLD) and post-deposition thermal annealing. We performed a comprehensive study to investigate the effect of annealing temperature, which was varied in a wide range (600-1100 °C), on the crystal structure, phase, surface morphology, chemical stoichiometry, defect states, and optical properties of PLD-grown GeO 2 films. As-deposited GeO 2 films at 500 °C were amorphous. Upon annealing, the GeO 2 films induced an amorphous-to-crystalline phase transformation; GeO 2 films annealed at higher annealing temperatures (≥900 °C) stabilized in the hexagonal phase and demonstrated excellent crystal quality and chemical stability. Thermally activated growth process showed increased average crystallite size, which was varied in the range of 20-130 (±2) nm, while the surface roughness followed a similar trend. The spectral transmittance and band gap also increased with increasing annealing temperature. The resulting h-GeO 2 films, particularly those obtained at annealing temperatures in the 900-1100 °C range, had a higher band gap of 6.2-6.3 eV and displayed excellent optical transmittance in the visible region. Moreover, the absence of extended valence band maxima and reduced optical defect density support the quality improvement upon annealing. When considering phase-pure bulk and nanostructured GeO 2 as a possible candidate for ultra wide band gap semiconductors in cutting-edge technological applications, the results of the current work can be beneficial to realize high structural and optical quality a-quartz structured GeO 2 films.

GeO2↗
DOE OSTI2015

Retrieving spin textures on curved magnetic thin films with full-field soft X-ray microscopies

X-ray tomography is a well-established technique to characterize 3D structures in material sciences and biology; its magnetic analogue—magnetic X-ray tomography—is yet to be developed. We demonstrate the visualization and reconstruction of magnetic domain structures in a 3D curved magnetic thin films with tubular shape by means of full-field soft X-ray microscopies. In the 3D arrangement of the magnetization is retrieved from a set of 2D projections by analysing the evolution of the magnetic contrast with varying projection angle. By using reconstruction algorithms to analyse the angular evolution of 2D projections provides quantitative information about domain patterns and magnetic coupling phenomena between windings of azimuthally and radially magnetized tubular objects. In conclusion, the present approach represents a first milestone towards visualizing magnetization textures of 3D curved thin films with virtually arbitrary shape.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Orbital textures and charge density waves in transition metal dichalcogenides

Low-dimensional electron systems, as realized in layered materials, often tend to spontaneously break the symmetry of the underlying nuclear lattice by forming so-called density waves; a state of matter that at present attracts enormous attention. Here we reveal a remarkable and surprising feature of charge density waves, namely their intimate relation to orbital order. For the prototypical material 1T-TaS 2 we not only show that the charge density wave within the two-dimensional TaS 2 layers involves previously unidentified orbital textures of great complexity. We also demonstrate that two metastable stackings of the orbitally ordered layers allow manipulation of salient features of the electronic structure. Indeed, these orbital effects provide a route to switch 1T-TaS 2 nanostructures from metallic to semiconducting with technologically pertinent gaps of the order of 200 meV. Furthermore, this new type of orbitronics is especially relevant for the ongoing development of novel, miniaturized and ultrafast devices based on layered transition metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetostatic twists in room-temperature skyrmions explored by nitrogen-vacancy center spin texture reconstruction

Abstract Magnetic skyrmions are two-dimensional non-collinear spin textures characterized by an integer topological number. Room-temperature skyrmions were recently found in magnetic multilayer stacks, where their stability was largely attributed to the interfacial Dzyaloshinskii–Moriya interaction. The strength of this interaction and its role in stabilizing the skyrmions is not yet well understood, and imaging of the full spin structure is needed to address this question. Here, we use a nitrogen-vacancy centre in diamond to measure a map of magnetic fields produced by a skyrmion in a magnetic multilayer under ambient conditions. We compute the manifold of candidate spin structures and select the physically meaningful solution. We find a Néel-type skyrmion whose chirality is not left-handed, contrary to preceding reports. We propose skyrmion tube-like structures whose chirality rotates through the film thickness. We show that NV magnetometry, combined with our analysis method, provides a unique tool to investigate this previously inaccessible phenomenon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Switchable planar chirality and spin texture in highly ordered ferroelectric hybrid perovskite domains

Chiral organic-inorganic hybrid perovskites offer a promising platform for developing non-linear chiro-optical applications and chiral-induced spin selectivity. Here, we show that achiral hybrid perovskites that have highly ordered ferroelectric domains with orthogonal polarization exhibit planar chirality, as manifested by second harmonic generation with strong circular dichroism. Interestingly, the handedness of the second harmonic generation circular dichroism response can be alternatingly switched between orthogonally polarized domains and domain walls. To correlate the origin of planar chirality in these domains, atom-resolved atomic force microscopy is used to reveal distinct arrangements of atomic rows in these ferroelectric crystals that indicate planar symmetry breaking. Remarkably, a large SHG anisotropy factor of 0.41 is measured at the domain wall. Additionally, spatially resolved two-photon photoluminescence excitation measurement provide evidence of larger Rashba spin-splitting in these chiral ferroelectric domains compared to domain-free areas. Our discoveries of domain-dependent planar chirality and spin texture hold great promise for advancement of domain-specific chiro-optical applications.

36 MATERIALS SCIENCE↗