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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Nanoscale strain wave generation by a piezoelectric grating from polar vortices

Nanostructures formed by spontaneously broken symmetry have provided new ways to manipulate quantum states. Specifically, topological structures with periodic spatial ordering, such as polar vortices and skyrmions, can be ideal hosts for creating engineered responses in both spatial and frequency domains. So far, however, only a few examples of such hierarchical engineering have been reported in the literature. Here we demonstrate that the spatially modulated piezoelectric response of a polar vortex structure can create strain waves with a characteristic nanoscale wavefront. Using time-resolved pump–probe resonant X-ray scattering and diffraction measurements, coupled with dynamical phase-field simulations, we show that the piezoelectric modulation of the spontaneously formed polar vortex crystal functions as an acoustic diffraction grating. This system converts incoming laterally uniform strain waves into outgoing waves with a characteristic sub-terahertz frequency, driven by an intrinsic excitation of the polar vortex crystal. Moreover, our phase-field simulations suggest that the dynamic mechanical displacements exhibiting vortex textures are generated from both space- and time-varying piezoelectric responses. Our findings illustrate a new method for generating nanoscale strain waves with unique spatial textures by tuning the hierarchical order of polar topologies to engineer new collective modes, allowing for a wide range of control through the topological lattice.

ferroelectrics↗
DOE OSTI2024

Observation of plaid-like spin splitting in a noncoplanar antiferromagnet

Spatial, momentum and energy separation of electronic spins in condensed matter systems guides the development of novel devices where spin-polarized current is generated and manipulated. Recent attention on a set of previously overlooked symmetry operations in magnetic materials leads to the emergence of a new type of spin splitting, enabling giant and momentum-dependent spin polarization of energy bands on selected antiferromagnets. Despite the ever-growing theoretical predictions, the direct spectroscopic proof of such spin splitting is still lacking. Here, we provide solid spectroscopic and computational evidence for the existence of such materials. In the noncoplanar antiferromagnet MnTe 2 , the in-plane components of spin are found to be antisymmetric about the high-symmetry planes of the Brillouin zone, comprising a plaid-like spin texture in the antiferromagnetic (AFM) ground state. Such an unconventional spin pattern, further found to diminish at the high- temperature paramagnetic state, stems from the intrinsic AFM order instead of spin- orbit coupling (SOC). Furthermore, our finding demonstrates a new type of quadratic spin texture induced by time-reversal breaking, placing AFM spintronics on a firm basis and paving the way for studying exotic quantum phenomena in related materials.

Electronic devices↗
DOE OSTI2017

Electron tomography and fractal aspects of MoS 2 and MoS 2 /Co spheres

A study was made by a combination of 3D electron tomography reconstruction methods and N 2 adsorption for determining the fractal dimension for nanometric MoS 2 and MoS 2 /Co catalyst particles. DFT methods including Neimarke-Kiselev’s method allowed to determine the particle porosity and fractal arrays at the atomic scale for the S-Mo-S(Co) 2D- layers that conform the spherically shaped catalyst particles. A structural and textural correlation was sought by further characterization performed by x-ray Rietveld refinement and Radial Distribution Function (RDF) methods, electron density maps, computational density functional theory methods and nitrogen adsorption methods altogether, for studying the structural and textural features of spherical MoS 2 and MoS 2 /Co particles. Neimark-Kiselev’s equations afforded the evaluation of a pore volume variation from 10 to 110 cm 3 /g by cobalt insertion in the MoS 2 crystallographic lattice, which induces the formation of cavities and throats in between of less than 29 nm, with a curvature radius r k < 14.4 nm; typical large needle-like arrays having 20 2D layers units correspond to a model consisting of smooth surfaces within these cavities. Decreasing D P , D B , D I and D M values occur when Co atoms are present in the MoS 2 laminates, which promote the formation of smoother edges and denser surfaces that have an influence on the catalytic properties of the S-Mo-S(Co) system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Predictive machine learning approaches for the microstructural behavior of multiphase zirconium alloys

Abstract Zirconium alloys are widely used in harsh environments characterized by high temperatures, corrosivity, and radiation exposure. These alloys, which have a hexagonal closed packed (h.c.p.) structure thermo-mechanically degrade, when exposed to severe operating environments due to hydride formation. These hydrides have a different crystalline structure, than the matrix, which results in a multiphase alloy. To accurately model these materials at the relevant physical scale, it is necessary to fully characterize them based on a microstructural fingerprint, which is defined here as a combination of features that include hydride geometry, parent and hydride texture and crystalline structure of these multiphase alloys. Hence, this investigation will develop a reduced order modeling approach, where this microstructural fingerprint is used to predict critical fracture stress levels that are physically consistent with microstructural deformation and fracture modes. Machine Learning (ML) methodologies based on Gaussian Process Regression, random forests, and multilayer perceptrons (MLP) were used to predict material fracture critical stress states. MLPs, or neural networks, had the highest accuracy on held-out test sets across three predetermined strain levels of interest. Hydride orientation, grain orientation or texture, and hydride volume fraction had the greatest effect on critical fracture stress levels and had partial dependencies that were highly significant, and in comparison hydride length and hydride spacing have less effects on fracture stresses. Furthermore, these models were also used accurately predicted material response to nominal applied strains as a function of the microstructural fingerprint.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Energy-resolved neutron imaging and diffraction including grain orientation mapping using event camera technology

Time-of-flight neutron diffraction and energy-resolved imaging each provide unique perspectives into material properties. Neutron diffraction is useful for assessing microstructural parameters such as phase composition, texture, and dislocation densities, though it typically provides averaged data over the sampled volume. Energy-resolved imaging, on the other hand, offers both spatial and spectral information by detecting Bragg edges and neutron absorption resonances, which enables detailed mapping of microstructure and isotopic composition. When combined, these techniques have the potential to enrich our understanding of material behavior across different scales, enhancing our understanding of complex materials. Traditionally, these modalities are conducted on separate instruments, which is time-consuming and poses challenges for data integration. Here, we report the integration of the LumaCam, an event-mode energy-resolved neutron imaging camera with the HIPPO time-of-flight diffractometer at LANSCE. This integration enables simultaneous diffraction and imaging across the full spectrum, with analysis optimized for diffraction and Bragg-edge imaging in the thermal range (0.45–10 Å) and resonance imaging in the epithermal range (0.5–3000 eV), facilitating comprehensive multi-modal analysis. We demonstrate its capabilities through case studies, including spatial mapping of grain orientations in a steel sample and accurate thickness estimations for irregular samples including a depleted uranium cylinder and a natural silver-containing mineral specimen. The combined setup enhances real-time sample alignment and provides comprehensive data for crystal structure, texture, and isotopic composition analysis. This approach opens new possibilities for advanced applications in nuclear engineering, archaeology, and materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Powder diffraction

Powder diffraction is a non-destructive technique, which is experimentally simple in principle. Because the physics behind diffraction is well understood, an exceptionally large amount of information can be obtained from a single measurement. The positions and relative intensities of the peaks yield a fingerprint that can be used for qualitative phase analysis. Quantitative phase analysis can be obtained by detailed analysis of the intensities. Unit cells can be derived from the peak positions. Crystal structures can be solved using powder diffraction data and refined by the Rietveld method. The peak profiles contain information about crystallite size, strain and nanostructure. Non-idealities in the intensities give information on texture. Abandoning the crystallographic model provides information about local structure, by pair distribution function analysis. For powder diffraction, everything is a sample; the technique is commonly applied to characterize minerals, ceramics, metals and alloys, catalysts, polymers, pharmaceuticals, organic compounds, environmental and forensic samples, among others. The major features of contemporary laboratory powder diffractometers are described. Methods for obtaining suitable powder specimens are summarized. Major applications of qualitative and quantitative phase analysis, structure solution, size/strain/nanostructure analysis using peak profiles, texture analysis and pair distribution function analysis are introduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ultra-High Performance, High-Temperature Superconducting Wires via Cost-effective, Scalable, Co-evaporation Process

Long-length, high-temperature superconducting (HTS) wires capable of carrying high critical current, Ic, are required for a wide range of applications. Here, we report extremely high performance HTS wires based on 5 m thick SmBa2Cu3O7- (SmBCO) single layer films on textured metallic templates. SmBCO layer wires over 20 meters long were deposited by a cost-effective, scalable co-evaporation process using a batch-type drum in a dual chamber. All deposition parameters influencing the composition, phase, and texture of the films were optimized via a unique combinatorial method that is broadly applicable for co-evaporation of other promising complex materials containing several cations. Thick SmBCO layers deposited under optimized conditions exhibit excellent cube-on-cube epitaxy. Such excellent structural epitaxy over the entire thickness results in exceptionally high Ic performance, with average Ic over 1000 A/cm for the entire 22 meter long wire and maximum Ic over 1,500 A/cm for a short 12 cm long tape. The Ic values reported in this work are the highest values ever reported from any lengths of cuprate-based HTS wire or conductor.

Kim, Dr. Hosup↗
DOE OSTI2015

Stabilizing the false vacuum. Mott skyrmions

Topological excitations keep fascinating physicists since many decades. While individual vortices and solitons emerge and have been observed in many areas of physics, their most intriguing higher dimensional topological relatives, skyrmions (smooth, topologically stable textures) and magnetic monopoles emerging almost necessarily in any grand unified theory and responsible for charge quantization remained mostly elusive. Here we propose that loading a three-component nematic superfluid such as 23 Na into a deep optical lattice and thereby creating an insulating core, one can create topologically stable skyrmion textures. The skyrmion’s extreme stability and its compact geometry enable one to investigate the skyrmion’s structure, and the interplay of topology and excitations in detail. In particular, the superfluid’s excitation spectrum as well as the quantum numbers are demonstrated to change dramatically due to the skyrmion, and reflect the presence of a trapped monopole, as imposed by the skyrmion’s topology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Effect of confined space reduction of graphite oxide followed by sulfur doping on oxygen reduction reaction in neutral electrolyte

We thermally reduced graphite oxide within the confined space of commercial silica gel, and then removed the matrix. The modified graphite oxide was treated with hydrogen sulfide at 800 °C. The treatment applied results in a specific porous texture and high hydrophobicity of the surface. 3 at.% sulfur was introduced, mainly as thiophenic groups and sulfur in aromatic rings. The reduced GO and sulfur doped was evaluated as oxygen reduction catalysts in neutral electrolytes. Even though both materials show the strong catalytic activity, the results indicate that more electrons take part in oxygen reduction reaction on reduced GO than on its sulfur modified counterpart. The high activity of our materials is linked to oxygen and surface functional groups incorporated to the graphene structure, to the high degree of surface hydrophobicity and to the specific texture consisting of micro and mesopores (replicate of silica porosity).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Defect reduction by liquid phase epitaxy of germanium on single-crystalline-like germanium templates on flexible, low-cost metal substrates

Single-crystalline-like germanium (Ge) templates were demonstrated on low-cost, flexible metal substrates and have been used to fabricate III–V materials and devices for photovoltaics and flexible electronics applications. However, these Ge templates, fabricated by magnetron sputtering or plasma enhanced chemical vapor deposition, contain a high density of defects. In order to improve the performance of optoelectronic devices made using the Ge templates, a homo-epitaxial Ge layer has been additionally grown by a liquid phase epitaxy (LPE) method. The LPE Ge layer is composed of significantly larger grains (~26 μm) compared to that of the Ge template (~200 nm). This large size of the LPE Ge grains effectively reduces the volume fraction of grain boundaries. The LPE Ge shows an out-of-plane texture Δω of ~0.63° and an in-plane texture ΔΦ of ~1.26°, which signify improvements of ~39.3% and ~76.6% compared to that of the vapor-deposited Ge template, respectively. Further, the LPE Ge is strain free, compared to the strained Ge template hetero-epitaxially grown on cerium oxide. Defects caused by low-angle grain boundaries, impurities and strain relaxation in the Ge template are found to be suppressed in the LPE Ge. The threading dislocation density is roughly estimated to be ~5 × 10 6 cm -2 in the LPE Ge compared to ~1 × 10 10 cm -2 in the Ge template.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

The effect of foam quality, particle concentration and flow rate on nanoparticle-stabilized CO 2 mobility control foams

CO 2 foam is regarded as a promising technology and widely used in the oil and gas industry, not only to improve oil production, but also to mitigate carbon emissions through their capture. This paper describes a series of nanoparticle-stabilized CO 2 foam generation and foam flow experiments under reservoir conditions. Stable CO 2 foam was generated when CO 2 and a nanosilica dispersion flowed through the core sample under 1500 psi and 25 °C. The foam changed from a fine-texture foam to a coarse foam as the foam quality increased from 20% to 95%. Foam mobility increased slightly with the increasing foam quality from 20% to 80% and then rapidly from 80% to 95%. A stable CO 2 foam was generated as the nanosilica concentration increased to 2500 ppm. Foam mobility and resistance factor increased with the increasing nanosilica concentration. As the injection flow rate increased to 60 ml h -1 , stable and fine-texture CO 2 foam was obtained. Foam mobility was observed to remain almost constant as the injection flow rate increased from 60 ml h -1 to 150 ml h -1 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Shear-induced polydomain structures of nematic lyotropic chromonic liquid crystal disodium cromoglycate

Lyotropic chromonic liquid crystals (LCLCs) represent aqueous dispersions of organic disk-like molecules that form cylindrical aggregates. Despite the growing interest in these materials, their flow behavior is poorly understood. Here, we explore the effect of shear on dynamic structures of the nematic LCLC, formed by 14 wt% water dispersion of disodium cromoglycate (DSCG). We employ in situ polarizing optical microscopy (POM) and small-angle and wide-angle X-ray scattering (SAXS/WAXS) to obtain independent and complementary information on the director structures over a wide range of shear rates. The DSCG nematic shows a shear-thinning behavior with two shear-thinning regions (Region I at $\dot{\gamma}$ < 1 s -1 and Region III at $\dot{\gamma}$ > 10 s -1 ) separated by a pseudo-Newtonian Region II (1 s-1 < $\dot{\gamma}$ < 10 s -1 ). The material is of a tumbling type. In Region I, $\dot{\gamma}$ < 1 s -1 , the director realigns along the vorticity axis. An increase of [small gamma, Greek, dot above] above 1 s -1 triggers nucleation of disclination loops. The disclinations introduce patches of the director that deviates from the vorticity direction and form a polydomain texture. Extension of the domains along the flow and along the vorticity direction decreases with the increase of the shear rate to 10 s -1 . Above 10 s -1 , the domains begin to elongate along the flow. At $\dot{\gamma}$ > 100 s -1 , the texture evolves into periodic stripes in which the director is predominantly along the flow with left and right tilts. The period of stripes decreases with an increase of $\dot{\gamma}$. The shear-induced transformations are explained by the balance of the elastic and viscous energies. In particular, nucleation of disclinations is associated with an increase of the elastic energy at the walls separating nonsingular domains with different director tilts. The uncovered shear-induced structural effects would be of importance in the further development of LCLC applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Regulating the growth of aluminum electrodeposits: towards anode-free Al batteries

The high earth abundance and large specific capacity of aluminum on either a volume (8040 mA h cm -3 ) or mass (2980 mA h g -1 ) basis continues to drive interest in electrochemical cells that utilize metallic Al as the anode. At practical anode capacities, uneven and non-planar deposition of Al during battery recharge combined with the high Young's modulus (EAl = 70 Ga) of the metal limits the electrode lifetime in all known electrolytes. Here we study the effect of a thin, textured coating composed of two-dimensional gold nanosheets with strong diffraction from (111) facets and low lattice mismatch for Al, as a substrate for regulating the Al electrodeposit morphology. We report that these coatings are not only effective in preventing Al deposition in non-planar morphologies, but have a large beneficial effect on the reversibility of Al electrodes. In Al plating/stripping studies, the textured Au coatings sustain stable cell operations for 500 cycles or more with a high coulombic efficiency of over 99%. Full cell Al batteries composed of the Au nanosheets as the anode substrate and graphene as the cathode are reported to exhibit capacity retention of 80% after 1000 charge–discharge cycles, and 74% at the 2000th cycle, exceeding the lifetimes (~200 cycles) of comparable Al batteries in which a standard stainless steel material is used as the anode substrate. Our results demonstrate that through rational design of the substrate for Al deposition, both the electrodeposit morphology and cycle life of Al-based batteries can be markedly improved.

25 ENERGY STORAGE↗
DOE OSTI2012

Epitaxial (111) films of Cu, Ni, and Cu{sub x}Ni{sub y} on {alpha}-Al{sub 2}O{sub 3} (0001) for graphene growth by chemical vapor deposition

Films of (111)-textured Cu, Ni, and Cu{sub x}Ni{sub y} were evaluated as substrates for chemical vapor deposition of graphene. A metal thickness of 400 nm to 700 nm was sputtered onto a substrate of {alpha}-Al{sub 2}O{sub 3}(0001) at temperatures of 250 Degree-Sign C to 650 Degree-Sign C. The films were then annealed at 1000 Degree-Sign C in a tube furnace. X-ray and electron backscatter diffraction measurements showed all films have (111) texture but have grains with in-plane orientations differing by 60 Degree-Sign . The in-plane epitaxial relationship for all films was [110]{sub metal}||[1010]{sub Al{sub 2O{sub 3}}}. Reactive sputtering of Al in O{sub 2} before metal deposition resulted in a single in-plane orientation over 97% of the Ni film but had no significant effect on the Cu grain structure. Transmission electron microscopy showed a clean Ni/Al{sub 2}O{sub 3} interface, confirmed the epitaxial relationship, and showed that formation of the 60 Degree-Sign twin grains was associated with features on the Al{sub 2}O{sub 3} surface. Increasing total pressure and Cu vapor pressure during annealing decreased the roughness of Cu and Cu{sub x}Ni{sub y} films. Graphene grown on the Ni(111) films was more uniform than that grown on polycrystalline Ni/SiO{sub 2} films, but still showed thickness variations on a much smaller length scale than the distance between grains.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Role of B19' martensite deformation in stabilizing two-way shape memory behavior in NiTi

Deformation of a B19' martensitic, polycrystallineNi49.9Ti50.1 (at. %) shape memoryalloy and its influence on the magnitude and stability of the ensuing two-way shape memory effect (TWSME) was investigated by combined ex situ mechanical experimentation and in situneutron diffraction measurements at stress and temperature. The microstructural changes (texture, lattice strains, and phase fractions) during room-temperature deformation and subsequent thermal cycling were captured and compared to the bulk macroscopic response of the alloy. With increasing uniaxial strain, it was observed that B19' martensite deformed by reorientation and detwinning with preferred selection of the (1¯50) M and (010) M variants, (201¯) B19' deformation twinning, and dislocation activity. These mechanisms were indicated by changes in bulk texture from the neutron diffraction measurements. Partial reversibility of the reoriented variants and deformation twins was also captured upon load removal and thermal cycling, which after isothermal deformation to strains between 6% and 22% resulted in a strong TWSME. Consequently, TWSME functional parameters including TWSME strain, strain reduction, and transformation temperatures were characterized and it was found that prior martensite deformation to 14% strain provided the optimum condition for the TWSME, resulting in a stable two-way shape memory strain of 2.2%. Thus, isothermal deformation of martensite was found to be a quick and efficient method for creating a strong and stable TWSME in Ni₄₉.₉Ti₅₀.₁.

Benafan, O.↗
DOE OSTI2013

Lattice mismatch-induced evolution of microstructural properties in FePt films

FePt (10, 20, 40, and 60 nm) films were fabricated on four different single crystal substrates [MgO (001), KTaO{sub 3} (001), SrTiO{sub 3} (001), and LaAlO{sub 3} (001)], and the effects of lattice mismatch on the microstructure and magnetic properties of FePt films were systematically investigated. The X-ray diffraction, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) results showed that the different lattice mismatch between the substrates and FePt films resulted in the different crystallographic texture and microstructure of the FePt films. Under the tensile strain between the FePt and substrates (MgO, KTaO{sub 3}, SrTiO{sub 3}), the FePt films preferred to form L1{sub 0} FePt (001) texture. The perpendicular anisotropy of the FePt films grown on MgO was larger than that grown on KTaO{sub 3} and SrTiO{sub 3}. For the FePt films grown on the LaAlO{sub 3} substrate, both FePt (110) and (001) orientations were found, which indicated the presence of tensile and compressive strain, respectively. With the reduction of the lattice mismatch between the FePt (10 nm) and substrate from 5.8% (MgO) to 2.4% (KTaO{sub 3}), and 0.1% (SrTiO{sub 3}), the microstructure of the FePt films changed gradually from granular to continuous films (SEM and TEM results). The microstructure of the 10 nm FePt film grown on LaAlO{sub 3} substrate showed granular structure.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Polycrystalline current-perpendicular-to-plane giant magnetoresistance pseudo spin-valves using Co{sub 2}Mn(Ga{sub 0.25}Ge{sub 0.75}) Heusler alloy

We have studied the structure and magnetoresistive properties of polycrystalline current-perpendicular-to-plane giant magnetoresistance pseudo spin-valves (PSVs) with Co{sub 2}Mn(Ga{sub 0.25}Ge{sub 0.75}) (CMGG) ferromagnetic layers and a Ag spacer. With (110) textured CMGG thin films and (111) textured Ag spacer, the PSVs annealed at 350 °C with 2 nm CoFe buffer layers showed ΔRA of 3.7 mΩ μm{sup 2} and MR ratio of 12.2%, while the PSVs without the buffer layer showed ΔRA of only 1.3 mΩ μm{sup 2}. High angle angular dark field images showed that the drop of ΔRA by annealing was due to the deterioration of the multi-layer CMGG/Ag/CMGG structure. Energy-dispersive X-ray spectroscopy images further confirmed the interdiffusion between CMGG layer and the Ag layer outside the CMGG/Ag/CMGG trilayer. In addition, we discuss the difference in the magnetoresistive properties of polycrystalline and epitaxial PSVs.

36 MATERIALS SCIENCE↗