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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Purely Cubic Spin Splittings with Persistent Spin Textures

Purely cubic spin splittings in the band structure of bulk insulators have not been extensively investigated yet despite the fact that they may pave the way for novel spin-orbitronic applications and can also result in a variety of promising spin phenomena. By symmetry analysis and first-principles simulations, we report symmetry-enforced purely cubic spin splittings (SEPCSS) that can even lead to persistent spin textures. In particular, these SEPCSS can be thought to be complementary to the cubic Rashba and cubic Dresselhaus types of spin splittings. Strikingly, the presently discovered SEPCSS are expected to exist in the large family of materials crystallizing in the $\bar{6}m2$ and $\bar{6}$ point groups, including the Ge 3 Pb 5 O 11 , Pb 7 Br 2 F 12 , and Pb 7 Cl 2 F 12 compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spin-orbit-proximitized ferromagnetic metal by monolayer transition metal dichalcogenide: Atlas of spectral functions, spin textures, and spin-orbit torques in Co/MoSe 2 , Co/WSe 2 and Co/TaSe 2 heterostructures

In this work, the heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are the principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics. The key quantity in theoretical description of these effects is nonequilibrium spin density, which can appear on any monolayer of the heterostructure through which the current is flowing as long as the monolayer bands are affected by the native or proximity induced SO coupling. Here we demonstrate how hybridization of wave functions of Co layer and a monolayer of transition metal dichalcogenides (TMDs)—such as semiconducting MoSe 2 and WSe 2 or metallic TaSe 2 —can lead to dramatic transmutation of electronic and spin structure of Co within some distance away from its interface with TMD, when compared to the bulk of Co or its surface in contact with a vacuum. This is due to proximity induced SO splitting of Co bands encoded in the spectral functions and spin textures on its monolayers, which we obtain using noncollinear density functional theory (ncDFT) combined with equilibrium Green function (GF) calculations. In fact, SO splitting is present due to structural inversion asymmetry of the bilayer—i.e., just the presence of the interface—even if SO coupling within TMD monolayer is artificially switched off in ncDFT calculations. However, switching it on makes the effects associated with proximity SO coupling within Co layer about five times larger. Injecting spin-unpolarized charge current through SO-proximitized monolayers of Co generates nonequilibrium spin density over them, so that its cross product with the magnetization of Co determines SO torque. The SO torque computed via first-principles quantum transport methodology, which combines ncDFT with nonequilibrium GF calculations, can be used as the screening parameter to identify optimal combination of materials and their interfaces for applications in spintronics. In particular, we identify heterostructure two-monolayer-Co/monolayer-WSe 2 as the most optimal one, at least in the clean limit.

2-dimensional systems↗
DOE OSTI2025

Soil Texture and Organic Matter from Teller Field Site and Barrow Environmental Observatory, Alaska, 2024

Understanding soil texture and organic matter content supports our understanding of hydrology and ecology of Arctic sites. Soil organic matter content and composition of sand, silt, and clay were measured from soils collected at the Teller 27 field site on the Seward Peninsula and at the Barrow Environmental Observatory (BEO) near Utqiaġvik, Alaska, on August 2nd and 6th 2024, respectively. Soil samples were collected from the active layer to varied depths. Precise location data were collected at each observation point using Avenza Maps on a mobile device. Sand, silt, clay, and organic matter percentages were measured at Desert Research Institute Soil Characterization and Quaternary Pedology Laboratory in Reno, NV. This dataset contains a *.csv file of soil properties, a *.kml file of measurement locations, a *.pdf user guide, a *.csv data dictionary, and a *.csv file level metadata.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ultrafast Activation and Tuning of Topological Textures in Ferroelectric Nanostructures

Polar topological textures are recently discovered in ultra–thin ferroelectrics, including stripe, labyrinth, or bubble states. Enabling to shape on–demand, these topologies herein can provide an original platform for potential applications. Here, using first–principle–based calculations, it is shown that THz electric field pulses are an efficient means for generating a plethora of topological states in ultrathin films made by a prototypical ferroelectric system, depending on the characteristics of these pulses and films. Consequently, these ultrafast electrical pulses in ultra–thin ferroelectrics offer key ingredients for mimicking neuronal and synaptic behaviors, including all–optical devices, and open a new avenue for topological objects to neuromorphic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Grazing-Incidence Texture Tomography and Diffuse Reflectivity Tomography of an Organic Semiconductor Device Array

The use of grazing-incidence scattering methods for the characterization of 2D patterned organic thin films is limited due to the elongated 1D footprint of the X-ray beam on the sample. However, this characteristic feature can be turned into an advantage, when combined with tomographic reconstruction. In this pilot study we show, how the use of a chosen texture reflection and a diffuse reflectivity signal can each provide 2D images of the deposits, simultaneously revealing the organic film's crystal orientation and the location of the metal electrodes in a field-effect transistor structure from a single sequence of diffraction images.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Virtual texture analysis to investigate the deformation mechanisms in metal microstructures at the atomic scale

Understanding the deformation behavior of metallic materials at high strain rates requires the characterization of plasticity contributors such as twins, phase transformed regions, and dislocations. However, predicting the contributions from phase transformation and twinning relies on a complete understanding of the selection of variants for various loading orientations and the evolution of their volume fractions. This manuscript presents a new virtual texture (VirTex) analysis approach to characterize phase transformation and twinning variants in deformed microstructures generated using molecular dynamics (MD) simulations. Furthermore, the VirTex method involves the construction of a rotation matrix to calculate the angle/axis pairs and misorientation angles for each atom in the microstructure. Any changes in the orientation angle from angle/axis pairs and/or structure types are analyzed to determine the nucleation and evolution of variants in the microstructure. The study uses shock deformed single-crystal Fe, Ta, and Cu to analyze the variant selections for phase transformation or twinning or both in BCC and FCC systems. In addition, the VirTex analysis is able to characterize the phase transformation and twinning variants in nanocrystalline Fe and Ta microstructures. Besides characterizing variants, orientation mapping also provides an accelerated and on-the-fly approach for quantifying twin fractions in MD microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Impact of Rolling at Temperature on Conductivity and Texture in Nanolamellar Cu/Nb Bimetallic Composites

We report warm rolling is used to identify whether reductions in dislocation content would provide a significant impact on conductivity in accumulatively roll-bonded Cu-Nb nanolaminates. In addition, the impact of temperature on mechanical properties and interfacial texture is also quantified. Although temperature has a strong effect on dislocation content and mechanical properties, it is shown that length scale and volume fraction are most critical to defining the conductivity of the nanolaminate. Rolling at temperature reduced the flow stress of the material while maintaining the interfacial and layer structure, indicating that warm rolling can increase the ability to process the nanolaminates without reducing conductivity.

36 MATERIALS SCIENCE↗
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 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 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 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↗
DOE OSTI2021

Nano-imaging of strain-tuned stripe textures in a Mott crystal

The 4d transition metal perovskites Ca n+1 Ru n O 3n+1 have attracted interest for their strongly interacting electronic phases showing pronounced sensitivity to controllable stimuli like strain, temperature, and even electrical current. Through multi-messenger low-temperature nano-imaging, we reveal a spontaneous striped texture of coexisting insulating and metallic domains in single crystals of the bilayer ruthenate Ca 3 (Ti x Ru 1-x ) 2 O 7 across its first-order Mott transition at T ≈ 95K. We image on-demand anisotropic nucleation and growth of these domains under in situ applied uniaxial strain rationalized through control of a spontaneous Jahn-Teller distortion. Our scanning nano-susceptibility imaging resolves the detailed susceptibility of coexisting phases to strain and temperature at the transition threshold. Comparing these nano-imaging results to bulk-sensitive elastoresistance measurements, we uncover an emergent “domain susceptibility” sensitive to both the volumetric phase fractions and elasticity of the self-organized domain lattice. Our combined susceptibility probes afford nano-scale insights into strain-mediated control over the insulator-metal transition in 4d transition metal oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Correlated spin-wave generation and domain-wall oscillation in a topologically textured magnetic film

Spin waves, or magnons, are essential for next-generation energy-efficient spintronics and magnonics. Yet, visualizing spin-wave dynamics at nanoscale and microwave frequencies remains a formidable challenge due to the lack of spin-sensitive, time-resolved microscopy. Here, in this study, we report a breakthrough in imaging dipole-exchange spin waves in a ferromagnetic film owing to the development of laser-free ultrafast Lorentz electron microscopy, which is equipped with a microwave-mediated electron pulser for high spatiotemporal resolution. Using topological spin textures, we captured the emission, propagation, reflection and interference of spin waves from spin anti-vortices under radio-frequency excitations. Remarkably, we show that spin-wave generation is closely tied to the oscillatory motion of specific magnetic domain walls, providing the missing link between wave emission and wall dynamics near magnetic singularities. This work opens new possibilities in magnonics, offering a nanoscopic view of spin dynamics via transmission electron microscopy and enabling controlled excitation via radio-frequency fields for exploring non-equilibrium states in magnetic and multiferroic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Soil texture and environmental conditions influence the biogeochemical responses of soils to drought and flooding

Abstract Climate change is intensifying the global water cycle, with increased frequency of drought and flood. Water is an important driver of soil carbon dynamics, and it is crucial to understand how moisture disturbances will affect carbon availability and fluxes in soils. Here we investigate the role of water in substrate-microbe connectivity and soil carbon cycling under extreme moisture conditions. We collected soils from Alaska, Florida, and Washington USA, and incubated them under Drought and Flood conditions. Drought had a stronger effect on soil respiration, pore-water carbon, and microbial community composition than flooding. Soil response was not consistent across sites, and was influenced by site-level pedological and environmental factors. Soil texture and porosity can influence microbial access to substrates through the pore network, driving the chemical response. Further, the microbial communities are adapted to the historic stress conditions at their sites and therefore show site-specific responses to drought and flood.

58 GEOSCIENCES↗
DOE OSTI2020

Significant enhancement of magnetocaloric effect in a NiMnCuGa Heusler alloy through textural modification

Magnetocaloric materials are of increasing interest to bring magnetic refrigeration to everyday households and drastically impact the energy demands for temperature control devices. In this work, a polycrystalline Heusler alloy of composition Ni2Mn0.76Cu0.24Ga with coinciding structural and magnetic transformation temperatures was subjected to compressive stress assisted thermal cycling (SATC) to enhance the magnetic properties by inducing a preferred orientation in the martensite. Isofield magnetization measurements showed a sharpening of the transformation between ferromagnetic martensite and paramagnetic austenite due to SATC. In isothermal magnetization measurements, SATC was seen to increase the magnetostructural coupling. With a 2 T applied magnetic field, the magnetocaloric effect (MCE) increased from ∼10 to ∼25 J/kg K and the refrigeration capacity (RC) almost doubled due to SATC. Heat capacity measurements were largely unaffected by SATC. The change in adiabatic temperature was estimated by using Cp and change in magnetic entropy (ΔSM) calculations. SATC was seen to increase ΔTad from ∼1.2 K to 2 K for an applied magnetic field of 2 T. Neutron diffraction measurements revealed highly textured martensite in the as received state that rotated to a more ideal preferred orientation after SATC that enhanced the magnetostructural transformation; and thus, improving the MCE and ΔTad.

McLeod, M. V. (ORCID:0000000329883516)↗