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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Piezoelectricity and pyroelectricity in polyvinylidene fluoride - Influence of the lattice structure

Piezoelectric and pyroelectric responses of beta-phase (Phase I) polyvinylidene fluoride are predicted for a model system of polarizable point dipoles. The model incorporates the influence of the orthorhombic crystal structure by including the dependence of the internal electric field on the lattice parameters. Strong anisotropy in the piezoelectric response under uniaxial stress is predicted as a consequence of the orthorhombic lattice structure. Predictions are found to be in reasonable agreement with room-temperature experimental data.

Purvis, C. K.↗
DOE OSTI2021

Bottom‐Up Synthesized Nanoporous Graphene Transistors

Abstract Nanoporous graphene (NPG) can exhibit a uniform electronic band gap and rationally‐engineered emergent electronic properties, promising for electronic devices such as field‐effect transistors (FETs), when synthesized with atomic precision. Bottom‐up, on‐surface synthetic approaches developed for graphene nanoribbons (GNRs) now provide the necessary atomic precision in NPG formation to access these desirable properties. However, the potential of bottom‐up synthesized NPG for electronic devices has remained largely unexplored to date. Here, FETs based on bottom‐up synthesized chevron‐type NPG (C‐NPG), consisting of ordered arrays of nanopores defined by laterally connected chevron GNRs, are demonstrated. C‐NPG FETs show excellent switching performance with on–off ratios exceeding 10 4 , which are tightly linked to the structural quality of C‐NPG. The devices operate as p‐type transistors in the air, while n‐type transport is observed when measured under vacuum, which is associated with reversible adsorption of gases or moisture. Theoretical analysis of charge transport in C‐NPG is also performed through electronic structure and transport calculations, which reveal strong conductance anisotropy effects in C‐NPG. The present study provides important insights into the design of high‐performance graphene‐based electronic devices where ballistic conductance and conduction anisotropy are achieved, which could be used in logic applications, and ultra‐sensitive sensors for chemical or biological detection.

Mutlu, Zafer↗
DOE OSTI2022

Large–scale asymmetry in galaxy spin directions: Analysis of galaxies with spectra in DES, SDSS, and DESI Legacy Survey

Multiple previous studies using several different probes have shown considerable evidence for the existence of cosmological–scale anisotropy and a Hubble–scale axis. One of the probes that show such evidence is the distribution of the directions toward which galaxies spin. The advantage of the analysis of the distribution of galaxy spin directions compared to the cosmic microwave background anisotropy is that the ratio of galaxy spin directions is a relative measurement, and therefore less sensitive to background contamination such as Milky Way obstruction. Another advantage is that many spiral galaxies have spectra, and therefore allow to analyze the location of such axis relative to Earth. This paper shows an analysis of the distribution of the spin directions of over 90K galaxies with spectra. That analysis is also compared to previous analyses using the Earth–based Sloan Digital Sky Survey, Panoramic Survey Telescope and Rapid Response System, and Dark Energy Spectroscopic Instrument Legacy Survey, as well as space–based data collected by Hubble Space Telescope. Finally, the results show very good agreement between the distribution patterns observed with the different telescopes. The dipole or quadrupole axes formed by the spin directions of the galaxies with spectra do not necessarily go directly through Earth.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Efficient Low-Order Refined Preconditioners for High-Order Matrix-Free Continuous and Discontinuous Galerkin Methods

In this paper, we design preconditioners for the matrix-free solution of high-order continuous and discontinuous Galerkin discretizations of elliptic problems based on finite element method--spectral element method (FEM-SEM) equivalence and additive Schwarz methods. The high-order operators are applied without forming the system matrix, making use of sum factorization for efficient evaluation. The system is preconditioned using a spectrally equivalent low-order (p = 1) finite element operator discretization on a refined mesh. The low-order refined mesh is anisotropic and not shape regular in the polynomial degree of the high-order operator, requiring specialized solvers to treat the anisotropy. We make use of an element-structured, geometric multigrid V-cycle with ordered ILU(0) smoothing. The preconditioner is parallelized through an overlapping additive Schwarz method that is robust in h and p. The method is extended to interior penalty and Bassi and Rebay (BR2) discontinuous Galerkin discretizations, for which it is also robust in the size of the penalty parameter. Finally, numerical results are presented on a variety of examples, verifying the uniformity of the preconditioner.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Anisotropy of machine building materials

The results of experimental studies of the anisotropy of elastic and strength characteristics of various structural materials, including pressure worked metals and alloys, laminated fiberglass plastics, and laminated wood plastics, are correlated and classified. Strength criteria under simple and complex stresses are considered as applied to anisotropic materials. Practical application to determining the strength of machine parts and structural materials is discussed.

Ashkenazi, Y. K.↗
NASA NTRS1989

Dynamical evolution of domain walls in an expanding universe

Whenever the potential of a scalar field has two or more separated, degenerate minima, domain walls form as the universe cools. The evolution of the resulting network of domain walls is calculated for the case of two potential minima in two and three dimensions, including wall annihilation, crossing, and reconnection effects. The nature of the evolution is found to be largely independent of the rate at which the universe expands. Wall annihilation and reconnection occur almost as fast as causality allows, so that the horizon volume is 'swept clean' and contains, at any time, only about one, fairly smooth, wall. Quantitative statistics are given. The total area of wall per volume decreases as the first power of time. The relative slowness of the decrease and the smoothness of the wall on the horizon scale make it impossible for walls to both generate large-scale structure and be consistent with quadrupole microwave background anisotropy limits.

Press, William H.↗
NASA NTRS1995

The solar ionisation rate deduced from Ulysses measurements and its implications to interplanetary Lyman alpha-intensity

We have developed a computer code which can be used to study 3-dimensional and time-dependent effects of the solar cycle on the interplanetary (IP) hydrogen distribution. The code is based on the inverted Monte Carlo simulation. In this work we have modelled the temporal behaviour of the solar ionisation rate. We have assumed that during the most of the time of the solar cycle there is an anisotopic latitudinal structure but right at the solar maximum the anisotropy disappears. The effects of this behaviour will be discussed both in regard to the IP hydrogen distribution and IP Lyman a a-intensity.

Summanen, T.↗
NASA NTRS2002

Micromechanics Based Design/Analysis Codes for Advanced Composites

Advanced high temperature Ceramic Matrix Composites (CMC) hold an enormous potential for use in aero and space related applications specifically for propulsion system components. Consequently, this has led to a multitude of research activities pertaining to fabrication, testing and modeling of these materials. The efforts directed at the development of ceramic matrix composites have focused primarily on improving the properties of the constituents as individual phases. It has, however, become increasingly clear that for CMC to be successfully employed in high temperature applications, research and development efforts should also focus on optimizing the synergistic performance of the constituent phases within the as-produced microstructure of the complex shaped CMC part. Despite their attractive features, the introduction of these materials in a wide spectrum of applications has been excruciatingly slow. The reasons are the high costs associated with the manufacturing and a complete experimental testing and characterization of these materials. Often designers/analysts do not have a consistent set of necessary properties and design allowables to be able to confidently design and analyze structural components made from these composites. Furthermore, the anisotropy of these materials accentuates the burden both on the test engineers and the designers by requiring a vastly increased amount of data/characterization compared to conventional materials.

Mital, Subodh K.↗
DOE OSTI2024

Theory of Defect-Induced Crystal Field Perturbations in Rare-Earth Magnets

We present a theory describing the single-ion anisotropy of rare-earth (RE) magnets in the presence of point defects. Taking the RE-lean 1 ∶ 12 magnet class as a prototype, we use first-principles calculations to show how the introduction of Ti substitutions into SmFe 12 perturbs the crystal field, generating new coefficients due to the lower symmetry of the RE environment. We then demonstrate that these perturbations can be described extremely efficiently using a screened point charge model. We provide analytical expressions for the anisotropy energy that can be straightforwardly implemented in atomistic spin dynamics simulations, meaning that such simulations can be carried out for an arbitrary arrangement of point defects. The significant crystal field perturbations calculated here demonstrate that a sample that is single phase from a structural point of view can nonetheless have a dramatically varying anisotropy profile at the atomistic level if there is compositional disorder, which may influence localized magnetic objects like domain walls or skyrmions. Published by the American Physical Society 2024

25 ENERGY STORAGE↗
DOE OSTI2023

Large ordered moment with strong easy-plane anisotropy and vortex-domain pattern in the kagome ferromagnet Fe 3 Sn

We report the magnetic anisotropy of kagome bilayer ferromagnet Fe 3 Sn probed by the bulk magnetometry and magnetic force microscopy (MFM) on high-quality single crystals. The dependence of magnetization on the orientation of the external magnetic field reveals strong easyplane magnetocrystalline anisotropy and anisotropy of the saturation magnetization. The leading magnetocrystalline anisotropy constant shows a monotonous increase from $\mathrm{K_1$≈ –1.0 \times 10^6 J/m^3}$ at 300 K to $\mathrm{–1.3 \times 10^6 J/m^3}$ at 2 K. Our ab initio electronic structure calculations yield the value of total magnetic moment of 7.1$μ_Β$/$f.u.$ and a magnetocrystalline anisotropy energy density of –0.57 $\mathrm{meV/}$$f.u.$ $\mathrm{(–1.62 \times 10^6J/m^3)}$ both being in reasonable agreement with the experimental values. The MFM imaging reveals micrometer-scale magnetic vortices with weakly pinned cores that vanish at the saturation field of ~3T applied perpendicular to the kagome plane. The observed vortex-domain structure is well reproduced by the micromagnetic simulations, using the experimentally determined value of the anisotropy and exchange stiffness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

On the measurement of S diff splitting caused by lowermost mantle anisotropy

Seismic anisotropy has been detected at many depths of the Earth, including its upper layers, the lowermost mantle and the inner core. While upper mantle seismic anisotropy is relatively straightforward to resolve, lowermost mantle anisotropy has proven to be more complicated to measure. Due to their long, horizontal ray paths along the core–mantle boundary (CMB), S waves diffracted along the CMB (S diff ) are potentially strongly influenced by lowermost mantle anisotropy. S diff waves can be recorded over a large epicentral distance range and thus sample the lowermost mantle everywhere around the globe. S diff therefore represents a promising phase for studying lowermost mantle anisotropy; however, previous studies have pointed out some difficulties with the interpretation of differential SH diff –SV diff traveltimes in terms of seismic anisotropy. Here, we provide a new, comprehensive assessment of the usability of S diff waves to infer lowermost mantle anisotropy. Using both axisymmetric and fully 3-D global wavefield simulations, we show that there are cases in which S diff can reliably detect and characterize deep mantle anisotropy when measuring traditional splitting parameters (as opposed to differential traveltimes). First, we analyze isotropic effects on S diff polarizations, including the influence of realistic velocity structure (such as 3-D velocity heterogeneity and ultra-low velocity zones), the character of the lowermost mantle velocity gradient, mantle attenuation structure, and Earth’s Coriolis force. Secondly, we evaluate effects of seismic anisotropy in both the upper and the lowermost mantle on SH diff waves. In particular, we investigate how SH diff waves are split by seismic anisotropy in the upper mantle near the source and how this anisotropic signature propagates to the receiver for a variety of lowermost mantle models. We demonstrate that, in particular and predictable cases, anisotropy leads to S diff splitting that can be clearly distinguished from other waveform effects. Here, these results enable us to lay out a strategy for the analysis of S diff splitting due to anisotropy at the base of the mantle, which includes steps to help avoid potential pitfalls, with attention paid to the initial polarization of S diff and the influence of source-side anisotropy. We demonstrate our S diff splitting method using three earthquakes that occurred beneath the Celebes Sea, measured at many transportable array stations at a suitable epicentral distance. We resolve consistent and well-constrained S diff splitting parameters due to lowermost mantle anisotropy beneath the northeastern Pacific Ocean.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Spin orbit torque in ferromagnet/topological-quantum-material heterostructures

The main objective of this proposal was to investigate the spin-orbital driven phenomena in topological insulator (TI)/ferromagnet (FM) or transition metal (TM) heterostructures. In particularly, we tried to utilize the spin-momentum locking properties on the surface of TIs to achieve ideal spin-orbit torques (SOTs). In practice, we found that the surface properties have been greatly modified, resulting in much more complicated magneto-transport behaviors than what is expected in SOT-driven magnetotransport. Through systematic and extended investigations, we start to unravel that the nonlinear magnetotransport properties, which was, in the past, mainly attributed to SOT-driven phenomena, can be used to infer the modification of the electronic band structures of TIs and spin textures in FMs which are closely related with charge-spin interconversion phenomena. Regarding the band structures In TIs, we find under electrostatic perturbations imposed by deposition of nonmagnetic TMs, the quantum well states formed on the surface of TIs develop substantial Rashba spin-splitting, which is detected as a bilinear magnetoresistance (BMR). Under magnetic perturbations, the nonlinear planar Hall effect (NPHE) in the topological surface states is greatly enhanced, possibly reflecting the modified surface band structure due to time-reversal symmetry breaking. In a double HM/FM heterostructure where the magnetic anisotropy can be robustly tuned, we observed second-harmonic Hall voltage responses corresponding to domain wall structures with fixed chirality, stabilized by interfacial Dzyaloshinskii–Moriya interaction (DMI). In addition, in the linear transport regime, we utilized inverse-SHE-induced anomalous Hall effect in Pt to probe the exchange bias on the surface of a doped magnetic insulator Tm 3 Fe 5 O 12 .

36 MATERIALS SCIENCE↗
NASA NTRS1991

Late time cosmological phase transitions 1: Particle physics models and cosmic evolution

We described a natural particle physics basis for late-time phase transitions in the universe. Such a transition can seed the formation of large-scale structure while leaving a minimal imprint upon the microwave background anisotropy. The key ingredient is an ultra-light pseudo-Nambu-Goldstone boson with an astronomically large (O(kpc-Mpc)) Compton wavelength. We analyze the cosmological signatures of and constraints upon a wide class of scenarios which do not involve domain walls. In addition to seeding structure, coherent ultra-light bosons may also provide unclustered dark matter in a spatially flat universe, omega sub phi approx. = 1.

Frieman, Joshua A.↗
DOE OSTI2022

Potential high-performance magnet materials: Co- and Al-alloyed Sm 2 Fe 17

Sm 2 Fe 17 has long been known as a potential high-performance magnet whose deficiencies—planar anisotropy and lower-than-optimal T c —can be remedied by nitrogen addition, but which presents synthesis difficulties. In this work, we apply first-principles calculations to search for alternative low-cost, high-performance permanent magnets in this family, by exploring simultaneous Fe and Al substitution. Specifically, the goal is to improve properties of Sm 2 Fe 14 Al 3 easy-plane magnet at the stoichiometric composition. Density functional theory calculations were executed for three series of compounds, i.e., Sm 2 (Fe 1-x Co x ) 14 Al 3 , Sm 2 (Fe 1-x Co x ) 15 Al 2 , and Sm 2 (Fe 1-x Cox) 16 Al. We find that substitution of Fe with 12–18 of Co in % Sm 2 Fe 14 Al 3 modifies the magnetic anisotropy type from easy plane to easy axis with a substantial anisotropy of 7.1 MJ/m 3 . We also demonstrate that the largest part of magnetic anisotropy is introduced by 4f Sm atom electrons. Thus the rotation of magnetic moment orientation from $\langle$$1\bar10$$\rangle$ to $\langle$111$\rangle$ is followed by an increase of the occupied 4f state number and, as a result, the orbital part of the magnetic moment of one of the Sm atoms. This increase of the occupied 4f state number at an energy ~ -4.3 eV results in a significant reduction of band structure energy. The substitution of Fe by Co does not significantly reduce the magnetization of the compound and keeps it slightly above 1 T. This combination of magnetic anisotropy and magnetization makes the compound a promising candidate for a permanent magnet.

36 MATERIALS SCIENCE↗
DOE OSTI2022

In situ observation of the magnetization configuration and reversal in cylindrical nanowires

Curvilinear magnetic structures often have unique magnetic behavior compared to their rectilinear counterparts. This is due to the unique curvilinear boundary conditions as well as the curvature induced Dzyaloshinskii–Moriya-like interaction and the curvature induced anisotropy. The effects of a curvilinear geometry are best studied in 3D structures, where the curvature can have a significant spatial extent. Of these 3D structures, the simplest structure to study is the cylindrical nanowire. Here, we have simulated the magnetization reversal in cylindrical NiFe nanowires and present in situ Lorentz TEM images to support the findings of the simulations. We studied the domain formation and reversal of nanowires with two distinct diameters that give rise to a different reversal behavior. We have, thus, found that the zero-field magnetization configuration in these wires can take on a double helix type of configuration. The reversal in these structures then proceeds through the winding and unwinding of these helical configurations rather than through domain wall propagation.

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

Noncoplanar ferrimagnetism and local crystalline-electric-field anisotropy in the quasicrystal approximant Au 70 Si 17 Tb 13

Neutron scattering experiments have been performed to elucidate magnetic properties of the quasicrystal approximant Au 70 Si 17 Tb 13 , consisting of icosahedral spin clusters in a body-centered-cubic lattice. Bulk magnetic measurements performed on the single crystalline sample unambiguously confirm long-range ordering at T C = 11.6 ± 1 K. In contrast to the simple ferromagnetic response in the bulk measurements, single crystal neutron diffraction confirms a formation of intriguing non-collinear and non-coplanar magnetic order. The magnetic moment direction was found to be nearly tangential to the icosahedral cluster surface in the local mirror plane, which is quite similar to that recently found in the antiferromagnetic quasicrystal approximant Au 72 Al 14 Tb 14 . Inelastic neutron scattering on the powdered sample exhibits a very broad peak centered at hω ≃ 4 meV. The observed inelastic spectrum was explained by the crystalline-electric-field model taking account of the chemical disorder at the fractional Au/Si sites. The resulting averaged anisotropy axis for the crystalline-electric-field ground state is consistent with the ordered moment direction determined in the magnetic structure analysis, confirming that the non-coplanar magnetic order is stabilized by the local uniaxial anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Structural Studies of Alloyed and Nanoparticle Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy

Layered transition metal dichalcogenides (TMDCs) such as MoS 2 , MoSe 2 , and WSe 2 are under intense investigation because they are atomically thin semiconductors with photophysical properties that can be tuned by changing their composition or morphology. Mechanochemical processing has been proposed as a method to obtain alloyed TMDCs in the series Mo 1–x W x S y Se 2–y (x = 0–1; y = 0–2). However, elucidating the chemical transformations occurring at the atomic scale following mechanochemical processing can be challenging because the products are often amorphous or microcrystalline. To address this challenge, we probe TMDC mixing and alloying by using a combination of powder X-ray diffraction, Raman spectroscopy, diffuse reflectance spectroscopy, 77 Se solid-state nuclear magnetic resonance (SSNMR) spectroscopy, and planewave density functional theory (DFT) calculations. The nature of the milling material and reaction atmosphere are shown to be essential factors in limiting the formation of undesired oxide byproducts. We demonstrate acquisition of 77 Se SSNMR spectra using different combinations of Carr-Purcell Meiboom-Gill acquisition (CPMG) pulse sequences, magic angle spinning (MAS), and MAS dynamic nuclear polarization. Further, the combination of SSNMR with the other characterization methods clearly demonstrates that high energy impact ball milling induces molecular level alloying of Mo, W and chalcogen atoms in the family Mo 1–x W x S y Se 2–y . Gauge including projector augmented wave DFT calculations yield accurate 77 Se chemical shift (CS) tensor components. 77 Se SSNMR spectroscopy was also applied to study the structure of WSe 2 nanocrystals intercalated with ethylenediamine. The intercalated WSe 2 nanocrystals exhibit a more positive isotropic 77 Se CS as compared to bulk WSe 2 , however, the 77 Se CS anisotropy is the same, confirming the WSe 2 layers have a similar structure as in their bulk counterparts.

36 MATERIALS SCIENCE↗