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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Unraveling the correlation between strain engineering with anisotropic optical properties via nanoscale defects gradually evolved into a strategy for fundamental studies and technological applications, yet it remains understudied in functional complex oxides compared to metals and semiconductors. Here, the methodology of strain engineering for the determination of the lattice parameters, parallel/normal to the sample surface, in the individual layers of single-crystalline superlattices is derived, which is based on analysis of high-angle X-ray diffraction measurements in combination with diffraction reciprocal space mapping. With modeling that takes into account the effect of elastic properties, two elastically anisotropic materials, SrTiO 3 and ZrO 2 , have been compared in terms of defect-induced elastic strain caused by individual and sequential H + and He 2+ irradiation. The anisotropic lattice swelling with corresponding refractive index, and obstructive behavior of elastic strain recovery are demonstrated in SrTiO 3 , while approaching strain behaviors accompanied by isotropic refractive index distribution in both orientations are confirmed in ZrO 2 . Under sequential He 2+ /H + irradiation, pre-existing He-vacancy complexes acted as vacancy traps, preferentially capturing H + clusters to induce lattice distortion and enhance absorption. Nanohardness increments (ΔH) calculated by the DBH model matched nanoindentation results, confirming that sequential irradiation generated higher indentation yield stress than individual irradiations.

Anisotropic expansion↗
DOE OSTI2022

Effect of substrate orientation and anisotropic strength on corrosion pits

The complexities of pitting corrosion and its associated pit morphologies are critical for predicting and preventing pit-related failure in materials. With the advances in computational tools, modeling of pitting corrosion has lately gained momentum. We recently developed a phase field model for 3-D pit morphology, and in the current work, the model is utilized to gain insight into the role of substrate orientation and anisotropic strength on crystallographic pits. The influence of these parameters on pit morphology and corrosion metrics such as pit volume, current, pit area, current density, and pit depth are studied. The crystallographic pit morphology changes with substrate orientation but not significantly with anisotropic strength. Finally, the anisotropic strength strongly influences the corrosion metrics whereas most corrosion metrics remain unaffected by substrate orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of charge and anisotropic diffusivity on ion exchange kinetics in nuclear waste form materials

Motifs of radionuclide absorption particles (absorbers or fillers) for the nuclear waste treatment usually have crystal structures with nano-sized tunnels for fast ion diffusion. On the other hand, the accumulation of ions generates an electric field which affects the ion diffusion. Therefore, the strong anisotropic kinetic properties and the electric field affect ion exchange kinetics, especially in an assembly of these particles which may block the fast diffusion tunnels for each other. In this work, we developed a mesoscale model to describe the effect of anisotropic kinetic properties and electric field on ion exchange kinetics. With the model we simulated the effect of anisotropic diffusivity, electrochemical potential, particle morphology, size and aggregation on ion exchange kinetics during batch experiments. Here, tt is found that 1) ion exchange results in charge accumulation inside the particle because different ions have different diffusivities and different diffusion driving forces. The electric neutrality is not preserved; 2) the electric field speeds up the slower diffusion ions (either uptake or release) and slows down the faster diffusion ions to reduce charge accumulation and maintains charge neutrality; 3) the ion exchange becomes very slow at the later stages because a) diffusion driving force (electrochemical gradient, Cs + concentration in the solution and Na + inside the particle) continuously decreases, as observed in batch experiments; and b) the diffusivity decreases due to the Cs + concentration dependence of ion diffusivity. This can explain the observed experimental phenomena that the radionuclide capacity usually cannot be reached; 4) for needle-like particle and their clusters, both surface area and diffusion distance along the direction with the fastest diffusivities have significant impact on the ion exchange kinetics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Additive manufacturing of highly dense anisotropic Nd–Fe–B bonded magnets

Extrusion based big area additive manufacturing process is utilized for fabrication of dense anisotropic bonded magnets. High loading fraction (≥70 vol%) of magnequench anisotropic Nd–Fe–B powder in nylon is used for preparing anisotropic bonded magnets. A higher energy product of ~143.2 kJ/m 3 is obtained for the post printed magnetic field aligned at 1 Tesla. These findings make an important step towards the fabrication of gap magnets with energy product between ferrite and Nd–Fe–B sintered magnets. Finally, printed bonded magnets exhibited better thermal stability, mechanical properties and superior magnetic properties compared to commercial injection molded magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dispersion relation and instability for an anisotropic nonuniform flowing plasma

A generalized formula for wave instability is developed for an anisotropic nonuniform plasma with finite flows and temperatures. Six-moment fluid equations are solved to give the analytic expression for wave instability in arbitrarily nonuniform plasmas. The analytic formula explicitly states the dependence of wave instability on the nonuniformities of number density, flow velocity, and anisotropic or isotropic pressure. The accuracy of the formalism is verified by a numerical calculation of implicit dispersion relations in complex Fourier space. The analysis shows that nonuniformity plays a critical role in plasma instability, while the flow velocity and anisotropic pressures determine the growth rate of the instability. Lastly, the instability diagram and associated instability criterion for anisotropy-driven instability are introduced as applications of the formalism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

In-plane anisotropic magnetoresistance in detwinned BaFe 2-x Ni x As 2 (x = 0, 0.6)

Understanding the magnetoresistance (MR) of a magnetic material forms the basis for uncovering the orbital mechanisms and charge-spin interactions in the system. Although the parent state of iron-based high-temperature superconductors, including BaFe 2 As 2 , exhibits unusual electron transport properties resulting from spin and charge correlations, there is still valuable insight to be gained by understanding the in-plane MR effect due to twin domains in the orthorhombic antiferromagnetic ordered state. Here, we study the in-plane magnetoresistance anisotropy in detwinned BaFe 2 As 2 and compare the results to the nonmagnetic Ni-doped sample. We find that in the antiferromagnetically ordered state, BaFe 2 As 2 exhibits anisotropic MR that becomes large at low temperatures and high fields. Both transverse and longitudinal MRs are highly anisotropic and dependent on the field and current orientations. Furthermore, these results cannot be fully explained by calculations considering only the anisotropic Fermi surface. Instead, the spin orientation of the ordered moment also affects the MR effect, suggesting the presence of a large charge-spin interaction in BaFe 2 As 2 that is not present in the Ni-doped material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An anisotropic viscoplasticity model for shale based on layered microstructure homogenization

Viscoplastic deformation of shale is frequently observed in many subsurface applications. Many studies have suggested that this viscoplastic behavior is anisotropic—specifically, transversely isotropic—and closely linked to the layered composite structure at the microscale. In this work, we develop a two-scale constitutive model for shale in which anisotropic viscoplastic behavior naturally emerges from semianalytical homogenization of a bilayer microstructure. The microstructure is modeled as a composite of soft layers, representing a ductile matrix formed by clay and organics, and hard layers, corresponding to a brittle matrix composed of stiff minerals. This layered microstructure renders the macroscopic behavior anisotropic, even when the individual layers are modeled with isotropic constitutive laws. Using a common correlation between clay and organic content and magnitude of creep, we apply a viscoplastic modified Cam-Clay plasticity model to the soft layers, while treating the hard layers as a linear elastic material to minimize the number of calibration parameters. We then describe the implementation of the proposed model in a standard material update subroutine. The model is validated with laboratory creep data on samples from three gas shale formations. We also demonstrate the computational behavior of the proposed model through simulation of time-dependent borehole closure in a shale formation with different bedding plane directions.

58 GEOSCIENCES↗
DOE OSTI2024

Anisotropic physics-regularized interpretable machine learning of microstructure evolution

Anisotropic Physics-Regularized Interpretable Machine Learning Microstructure Evolution (APRIMME) is a general-purpose machine learning solution for grain growth simulations. In prior work, PRIMME employed a deep neural network to predict site-specific migration as a function of its neighboring sites to model normal, isotropic, grain growth behavior. This work aims to extend this method by incorporating grain boundary misorientation-based grain growth behavior. APRIMME is trained on anisotropic simulations created using the Monte Carlo-Potts (MCP) model. Furthermore, the results of this work are compared statistically using grain radius, number of sides per grain, mean neighborhood misorientations, and the standard deviation of triple junction dihedral angles, and are found to match in most cases. The exceptions are small and seem to be related to two causes: (1) the deterministic model of APRIMME is learning from the stochastic simulations of MCP, which seems to accentuate triple junction behaviors; and, (2) a bias against very small grains is made evident in a quicker decrease in grains than expected at the beginning of an APRIMME simulation. APRIMME is also evaluated for its general ability to capture anisotropic grain growth behavior by first investigating different test case initial conditions, including a circle grain, three grain, and hexagonal grain microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of secondary gas-phase reactions (SGR) in pyrolysis of carbon feedstocks for anisotropic carbon materials production – 1: Controlling SGR to modify intermediate coal tar species to improve pitch anisotropy

To meet the increasing demand for graphitizable carbon products, such as needle coke and carbon fiber, more carbon feedstocks capable of forming anisotropy should be utilized. Non-coking coals are widely available but are not typically suitable for producing anisotropic carbons due to lacking proper coal chemistry. This work used secondary gas-phase reactions (SGR) during coal pyrolysis to improve the coal tar chemistry of a non-coking coal for anisotropic carbon production. SGR pyrolysis temperatures and residence times were varied (T = 800–900°C and τ = 0–2.5 s), and analysis of the intermediate coal tar products showed that as these SGR pyrolysis conditions increased, the oxygen and aliphatic concentrations decreased, whereas aromatic contents and molecular weights increased. Without any SGR, microscopy of the thermally-treated coal tar pitch product revealed that the coal tar pitch was isotropic; however, upon using increased SGR pyrolysis conditions, the resulting coal tar pitch samples substantially increased in the percentage and quality of anisotropy formation. Further, the products' analyses show clear trends of modified chemical properties in the intermediate coal tar and improved anisotropy results. Thus, the results presented in this work show that by controlling the SGR during pyrolysis of a non-coking coal, this approach can modify the coal tar chemistry towards a precursor more suitable for quality anisotropic carbon material production.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Reconfigurable self-assembly of porous anisotropic colloids in nematic liquid crystals

Dispersions of anisotropic nanoparticles in liquid crystalline hosts recently yielded new soft condensed matter states, like the thermally reconfigurable monoclinic and orthorhombic biaxial nematic liquid crystals, with a plethora of unusual phases and phase transformations. Our current study shows that the nanoscale porous nature of colloids with micrometer-range overall dimensions also enables highly reconfigurable orientations and assemblies of the microparticles, allowing for realization of condensed matter states with unusual combinations of low-symmetry nematic or smectic order and fluidity. Much like the anisotropic nanoparticles studied previously, these nanoporous anisotropic colloids exhibit thermally reconfigurable oriented alignment with respect to the far-field director, as well as diverse low-symmetry liquid crystalline phase behaviors. Furthermore, our findings open doors to fundamental and applied uses of low-symmetry molecular-colloidal orientationally ordered states of matter with uninhibited fluidity, as well as liquid crystals with partial positional ordering, like low-symmetry smectics, which could lead to applications in metamaterial designs, electro-optics, photonics, etc.

colloidal dispersion↗
DOE OSTI2021

Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe 2

In two-dimensional materials, different atomic stacking induces anisotropic atomic interactions and phonon dispersions, leading to the anisotropy of in-plane thermal transport. In this work, we report an exceptional case in layered pentagonal PdSe 2 , where the bonding, force constants, and lattice constants are nearly-equal along the in-plane crystallographic axis directions, while the thermal conductivity is surprisingly much greater along b-axis than along a-axis with a ratio up to 1.8. Such strong anisotropy is not only unexpected in in-plane uniform structured materials, but also 2 comparable to the record high in-plane anisotropic thermal conductivity in the nonuniform structured material reported to date (the ratio is ~2.0 in TiS 3 ). By combining the inelastic X-ray scattering measurement and the first-principles calculations, we attribute such high anisotropy to the low-energy phonons along a-axis, particularly their lower group velocities and “avoided-crossing” behavior. The different buckling structures between a- (zigzag-type) and b-axis (flat-type) are mainly responsible for such unique phonon dynamics properties of PdSe 2 . This finding helps to discover materials with high anisotropic in-plane thermal conductivity in uniform structures and reveals new physics of anisotropy of in-plane thermal conduction. Due to the unique features in structure and thermal transport properties, PdSe 2 may serve as a new platform for designing novel devices to route heat flow precisely at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Singlet Fission Driven by Anisotropic Vibronic Coupling in Single-Crystalline Pentacene

Vibronic coupling is believed to play an important role in siglet fission, wherein a photoexcited singlet exciton is converted into two triplet excitons. In the present study, we examine the role of vibronic coupling in singlet fission using polarized transient absorption microscopy and ab initio simulations on single-crystalline pentacene. It was found that singlet fission in pentacene is greatly facilitated by the vibrational coherence of a 35.0 cm(-1) phonon, where anisotropic coherence persists extensively for a few picoseconds. This coherence-preserving phonon that drives the anisotropic singlet fission is made possible by a unique cross-axial charge-transfer intermediate state. In the same fashion, this phonon was also found to predominantly drive the quantum decohence of a correlated triplet pair to form a decoupled triplet dimer. Moreover, our transient kinetic experimental data illustrates notable directional anisotropicity of the singlet fission rate in single-crystalline pentacene.

Deng, Gang-Hua↗
DOE OSTI2023

Extraordinary Magnetic Response of an Anisotropic 2D Antiferromagnet via Site Dilution

A prominent characteristic of 2D magnetic systems is the enhanced spin fluctuations, which reduce the ordering temperature. We report that a magnetic field of only 1000th of the Heisenberg superexchange interaction can induce a crossover, which for practical purposes is the effective ordering transition, at temperatures about 6 times the Néel transition in a site-diluted two-dimensional anisotropic quantum antiferromagnet. Such a strong magnetic response is enabled because the system directly enters the antiferromagnetically ordered state from the isotropic disordered state, skipping the intermediate anisotropic stage. The underlying mechanism is achieved on a pseudospin-half square lattice realized in the [(SrIrO3)1/(SrTiO3)2] superlattice thin film that is designed to linearly couple the staggered magnetization to external magnetic fields by virtue of the rotational symmetry-preserving Dzyaloshinskii–Moriya interaction. Furthermore, our model analysis shows that the skipping of the anisotropic regime despite finite anisotropy is due to the enhanced isotropic fluctuations under moderate dilution.

2D antiferromagnet↗
DOE OSTI2026

Anisotropic Melt Inclusions as a Confounding Signal for Ice‐Penetrating Radar Observations

Ice-penetrating radar is a powerful geophysical tool for understanding the subsurfaces of Earth, Mars, and icy moons. Radar reflectivity, attenuation, and birefringence are used to infer subsurface hydrology, englacial temperature, water content, and crystal orientation fabric. However, conventional radar sounding analyses either ignore melt or use classical mixing models which assume spherical melt inclusions, obscuring anisotropic contributions of melt. Here, we use geometric mixing models to calculate the reflectivity, attenuation, and birefringence of temperate ice containing anisotropic melt. We find that anisotropic melt can introduce significant deviations in radar measurements. For instance, melt anisotropy may impact reflectivity-based estimates of water content by up to 30% volume fraction, while attenuation-based estimates may vary by up to 43%. Critically, a melt volume fraction of just $f$ ~ 10 -5 can reproduce birefringence signals previously attributed to ice fabric. We conclude that melt anisotropy may significantly impact analyses of englacial hydrology, subglacial hydrology, and ice fabric.

58 GEOSCIENCES↗
DOE OSTI2025

Engineering anisotropic electrodynamics at the graphene/CrSBr interface

Abstract Graphene is a privileged 2D platform for hosting confined light-matter excitations known as surface plasmon polaritons (SPPs), as it possesses low intrinsic losses and a high degree of optical confinement. However, the isotropic nature of graphene limits its ability to guide and focus SPPs, making it less suitable than anisotropic elliptical and hyperbolic materials for polaritonic lensing and canalization. Here, we present graphene/CrSBr as an engineered 2D interface that hosts highly anisotropic SPP propagation across mid-infrared and terahertz energies. Using scanning tunneling microscopy, scattering-type scanning near-field optical microscopy, and first-principles calculations, we demonstrate mutual doping in excess of 10 13 cm –2 holes/electrons between the interfacial layers of graphene/CrSBr. SPPs in graphene activated by charge transfer interact with charge-induced electronic anisotropy in the interfacial doped CrSBr, leading to preferential SPP propagation along the quasi-1D chains that compose each CrSBr layer. This multifaceted proximity effect both creates SPPs and endows them with anisotropic propagation lengths that differ by an order-of-magnitude between the in-plane crystallographic axes of CrSBr.

Science & Technology - Other Topics↗
DOE OSTI2026

Revisiting the Anisotropic Complex Refractive Indices of Sodium Nitrate for Interpretation of the Reflectance Spectrum of Pressed Pellets

Reflectance spectroscopy is notoriously confounding in that the measured spectral response is highly dependent upon the morphology of the sample. Fortunately, all such perturbations are neatly encoded by the complex refractive index of the sample. Herein, we seek to quantitatively model the measured infrared reflectance spectrum of a specularly flat pressed pellet sample of the birefringent compound, sodium nitrate. Single crystals of sodium nitrate were synthesized via a slow evaporation process and spectroscopically analyzed using polarization-dependent infrared single-angle reflectance spectroscopy. The anisotropic complex refractive index was measured from 7500 to 300 cm-1 (1.33 to 33.33 µm). The deduced anisotropic optical constants were found to be consistent with those previously reported. Once measured and validated, the optical constants were applied to model the pressed pellet reflectance spectrum. It was evident that an average of the anisotropic refractive indices was insufficient to account for the measured pellet reflectance. In order to account for contributions of all possible microcrystalline orientations within the pellet, the Python package PYELLI was used to calculate a basis set of orientation-dependent reflection spectra spanning the distinct ? and ? Euler rotations of the uniaxial crystal. When the population of orientations was allowed to vary freely in a spectral fit analysis, the fit-deduced orientations were tightly clustered along f = 45º, hinting at residual anisotropy in the pressed pellet sample. Conversely, an equally valid spectral fit (with marginally worse fit metric) was obtained when the population was constrained to an isotropic distribution of orientations. Subsequent non-zero cross-polarization reflectance measurements likewise suggested anisotropy in the pellet. However, both grazing incidence wide-angle x-ray scattering and scanning electron microscopy measurements revealed that the microcrystal orientations at the surface of the pressed pellet sample were isotropically distributed (and that the average crystallite size was larger than ?/10). Application of the measured complex refractive indices for modeling the reflectance spectrum of the pressed pellet, and rectification of these seemingly contradictory observations will be discussed.

Wilhelm, Michael J.↗
DOE OSTI2021

Alignment of magnetic particles in anisotropic Nd–Fe–B bonded magnets

High-performance anisotropic bonded magnets need a high volumetric filling fraction of magnetic powder in a polymer binder and good alignment while possessing adequate mechanical properties. The correlation between the degree of alignment (DOA) and the volumetric filling fraction of magnetic powder, the type of binder and the processing parameters have been studied using Nd–Fe–B anisotropic bonded magnets. Here, thermomagnetic analysis and differential scanning calorimetry results show that the magnetic powder can be well aligned in a bonded magnet under an external magnetic field at a temperature higher than the binders' melting point by 20–60 K, depending on the type of magnetic powder and binder. The DOA results mainly from the interplay between the Zeeman energy (E app ) and the inter-particle static energy (E stat ) in bonded magnets at the chosen alignment temperature and the magnetic fields. A good alignment can be achieved by an alignment magnetic field which is about twice its coercivity in an anisotropic Nd–Fe–B bonded magnet, which is confirmed by our experimental and modeling results.

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

Towards a self-consistent analysis of the anisotropic galaxy two- and three-point correlation functions on large scales: application to mock galaxy catalogues

We establish a practical method for the joint analysis of anisotropic galaxy two- and three-point correlation functions (2PCF and 3PCF, respectively) on the basis of the decomposition formalism of the 3PCF using tripolar spherical harmonics. We perform such an analysis with MultiDark-Patchy mock catalogues to demonstrate and understand the benefit of the anisotropic 3PCF. We focus on scales above $80\, h^{-1}\, {\rm Mpc}$, and use information from the shape and the baryon acoustic oscillation (BAO) signals of the 2PCF and 3PCF. We also apply density field reconstruction to increase the signal-to-noise ratio of BAO in the 2PCF measurement, but not in the 3PCF measurement. In particular, we study in detail the constraints on the angular diameter distance and the Hubble parameter. We build a model of the bispectrum or 3PCF that includes the non-linear damping of the BAO signal in redshift space. We carefully account for various uncertainties in our analysis including theoretical models of the 3PCF, window function corrections, biases in estimated parameters from the fiducial values, the number of mock realizations to estimate the covariance matrix, and bin size. The joint analysis of the 2PCF and 3PCF monopole and quadrupole components shows a $30{{\ \rm per\ cent}}$ and $20{{\ \rm per\ cent}}$ improvement in Hubble parameter constraints before and after reconstruction of the 2PCF measurements, respectively, compared to the 2PCF analysis alone. Furthermore, this study clearly shows that the anisotropic 3PCF increases cosmological information from galaxy surveys and encourages further development of the modelling of the 3PCF on smaller scales than we consider.

79 ASTRONOMY AND ASTROPHYSICS↗