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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structural and magnetic properties of hard magnetic system Ce(Co 1 -Fe ) 4.4 Cu 0.6 (0 ≤ x ≤ 0.19)

The Ce(Co 1 -Fe ) 4.4 Cu 0.6 (0 ≤ x ≤ 0.19) is a composite, hard magnetic system that is based on the CaCu 5 -type structure (1:5). It shows both, unique magnetic and microstructural features that are essential for permanent magnets, e.g., exceptional squareness of the 2nd. quadrant of the magnetization loops and microstructural features typically needed for pinning. Samples solidified in alumina crucibles are coarse-grained and often clearly faceted and readily align in a magnetic field. X-ray, SEM, and TEM analyses show a 1:5-type single-phase material when quenched from high temperature, which, after heat treatment, transforms into a laminar coherent nanostructure through the formation of a dense array of extended intercalated regions. Furthermore, these extended intercalated regions are comprised of segments of the Ce 2 Ni 7 –type structure (2:7) which segregate into various closely related precipitates forming a nanostructure similar to the SmCo 5 - Sm 2 Co 17 composites seen in Sm-Co permanent magnets. Based on TEM and Lorentz microscopy of well-aligned single grain particles, the magnetic domains’ reversal mechanism is regulated by anisotropy fluctuations occurring along the easy direction of magnetization and strong exchange interactions between the matrix and defects (e.g.: stacking faults). Lorentz microscopy suggests the domain wall is not physically pinned by the defect, but rather is offset/deflected when it interacts with the defect. The Lorentz and magnetization data suggest that defects cause a bending of the moment away from the c axis inside the grains.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Programmable Anisotropy and Percolation in Supramolecular Patchy Particle Gels

Patchy particle interactions are predicted to facilitate the controlled self-assembly and arrest of particles into phase-stable and morphologically tunable "equilibrium" gels, which avoids the arrested phase separation and subsequent aging that is typically observed in traditional particle gels with isotropic interactions. Despite these promising traits of patchy particle interactions, such tunable equilibrium gels have yet to be realized in the laboratory due to experimental limitations associated with synthesizing patchy particles in high yield. Here, we introduce a supramolecular metal-coordination platform consisting of metallic nanoparticles linked by telechelic polymer chains, which validates the predictions associated with patchy particle interactions and facilitates the design of equilibrium particle hydrogels through limited valency interactions. We demonstrate that the interaction valency and self-assembly of the particles can be effectively controlled by adjusting the relative concentration of polymeric linkers to nanoparticles, which enables the gelation of patchy particle hydrogels with programmable local anisotropy, morphology, and low mechanical percolation thresholds. Moreover, by crowding the local environment around the patchy particles with competing interactions, we introduce an independent method to control the self-assembly of the nanoparticles, thereby enabling the design of highly anisotropic particle hydrogels with substantially reduced percolation thresholds. We thus establish a canonical platform that facilitates multifaceted control of the self-assembly of the patchy nanoparticles en route to the design of patchy particle gels with tunable valencies, morphologies, and percolation thresholds. These advances lay important foundations for further fundamental studies of patchy particle systems and for designing tunable gel materials that address a wide range of engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting orientation-dependent plastic susceptibility from static structure in amorphous solids via deep learning

It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotationally non-invariant local structure representation that enables different predictions for different loading orientations, which is found essential for high-fidelity prediction of the propensity for stress-driven shear transformations. This novel structure representation, when combined with convolutional neural network (CNN), a powerful deep learning algorithm, leads to unprecedented accuracy for identifying atoms with high propensity for shear transformations (i.e., plastic susceptibility), solely from the static structure in both two- and three-dimensional model glasses. The data-driven models trained on samples at one composition and a given processing history are found transferrable to glass samples with different processing histories or at different compositions in the same alloy system. Our analysis of the new structure representation also provides valuable insight into key atomic packing features that influence the local mechanical response and its anisotropy in glasses.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Strain effects on Auger–Meitner recombination in silicon

We study the effects of compressive and tensile biaxial strain on direct and phonon-assisted Auger–Meitner recombination (AMR) in silicon using first-principles calculations. We find that the application of strain has a non-trivial effect on the AMR rate. For most AMR processes, the application of strain increases the AMR rate. However, the recombination rate for the AMR process involving two holes and one electron is suppressed by 38% under tensile strain. We further analyze the specific phonon contributions that mediate the phonon-assisted AMR mechanism, demonstrating the increased anisotropy under strain. In conclusion, our results indicate that the application of tensile strain increases the lifetime of minority electron carriers in p-type silicon and can be leveraged to improve the efficiency of silicon devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measurements of dihadron correlations relative to the event plane in Au+Au collisions at $\sqrt{s_{NN}} =200$ GeV*

Dihadron azimuthal correlations containing a high transverse momentum ($ p_{T} $) trigger particle are sensitive to the properties of the nuclear medium created at RHIC through the strong interactions occurring between the traversing parton and the medium, i.e. jet-quenching. Previous measurements revealed a strong modification to dihadron azimuthal correlations in Au+Au collisions with respect to p+p and d+Au collisions. The modification increases with the collision centrality, suggesting a path-length or energy density dependence to the jet-quenching effect. This paper reports STAR measurements of dihadron azimuthal correlations in mid-central (20%-60%) Au+Au collisions at $ \sqrt{s_{\rm{NN}}} = 200 $ GeV as a function of the trigger particle's azimuthal angle relative to the event plane, $ \phi_{s} = | \phi_{t}- \psi_{{\rm{EP}}}| $. The azimuthal correlation is studied as a function of both the trigger and associated particle $ p_{T} $. The subtractions of the combinatorial background and anisotropic flow, assuming Zero Yield At Minimum (ZYAM), are described. The correlation results are first discussed with subtraction of the even harmonic (elliptic and quadrangular) flow backgrounds. The away-side correlation is strongly modified, and the modification varies with $ \phi_{s} $, with a double-peak structure for out-of-plane trigger particles. The near-side ridge (long range pseudo-rapidity $ \Delta\eta $ correlation) appears to drop with increasing $ \phi_{s} $ while the jet-like component remains approximately constant. The correlation functions are further studied with the subtraction of odd harmonic triangular flow background arising from fluctuations. It is found that the triangular flow, while responsible for the majority of the amplitudes, is not sufficient to explain the $ \phi_{s} $-dependence of the ridge or the away-side double-peak structure. The dropping ridge with $ \phi_{s} $ could be attributed to a $ \phi_{s} $-dependent elliptic anisotropy; however, the physics mechanism of the ridge remains an open question. Even with a $ \phi_{s} $-dependent elliptic flow, the away-side correlation structure is robust. These results, with extensive systematic studies of the dihadron correlations as a function of $ \phi_{s} $, trigger and associated particle $ p_{T} $, and the pseudo-rapidity range $ \Delta\eta $, should provide stringent inputs to help understand the underlying physics mechanisms of jet-medium interactions in high energy nuclear collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

Orientation dependence of the stress rupture properties of Nickel-base superalloy single crystals

The influence of orientation of the stress rupture behavior of Mar-M247 single crystals was studied. Stress rupture tests were performed at 724 MPa and 774 C where the effect of anisotropy is prominent. The mechanical behavior of the single crystals was rationalized on the basis of the Schmid factors for the operative slip systems and the lattice rotations which the crystals underwent during deformation. The stress rupture lives were found to be greatly influenced by the lattice rotations required to produce intersecting slip, because steady-state creep does not begin until after the onset of intersecting slip. Crystals which required large rotations to become oriented for intersecting slip exhibited a large primary creep strain, a large effective stress level at the onset of steady-state creep, and consequently a short stress rupture life. A unified analysis was attained for the stress rupture behavior of the Mar-M247 single crystals tested in this study at 774 C and that of the Mar-M200 single crystals tested in a prior study at 760 C. In this analysis, the standard 001-011-111 stereographic triangle was divided into several regions of crystallographic orientation which were rank ordered according to stress rupture life for this temperature regime. This plot indicates that those crystals having orientations within about 25 deg of the 001 exhibited significantly longer lives when their orientations were closer to the 001-011 boundary of the stereographic triangle than to the 001-111 boundary.

Mackay, R. A.↗
DOE OSTI2024

Cellulosic gels, films and composites including the gels, and methods of forming same

Disclosed are cellulose-based 5 flexible aerogels and xerogels containing bacterial cellulose nanorods, ribbons, fibers, and the like, wherein the gels have tunable optical, heat transfer, and stiffness properties. Further disclosed are highly transparent and flexible cellulose nanofiber-polysiloxane composite aerogels featuring enhanced mechanical robustness, tunable optical anisotropy, and low thermal conductivity.

Smalyukh, Ivan I.↗
DOE OSTI2024

Physical vapor deposition of organic glasses (Final Report)

As of 2009, when this project began, it had been established that physical vapor deposition (PVD) could produce high density and high stability (“ultrastable”) glasses of two organic molecules. With this project, we established that ultrastability was a quite general result for PVD glasses of organic molecules and, in particular, for the organic semiconductors used to produce organic light emitting diodes (OLEDs). We established that ultrastable glasses have enhanced photochemical and chemical stability, and increased resistance to crystallization. We developed a temperature-gradient deposition stage to more efficiently screen the properties of PVD glasses. We established that PVD glasses are usually anisotropic and that this anisotropy can be controlled. We characterized the unusual transformation mechanism of PVD glasses, which superficially is more similar to crystals than liquid-cooled glasses. In the most recent grant cycle, we extended these results to co-deposition of two organic semiconductors, showing that mixed PVD glasses of these systems usually showed ultrastability and high density; in two cases, co-deposition results in component segregation, and deposition conditions can be adjusted to control domain size. In our work since 2009, we established that the surface equilibration mechanism can successfully explain almost all of the properties of PVD glasses, and that this mechanism can provide useful predictions regarding stability and anisotropy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A crystal-plasticity-informed Gaussian Process Regression model to capture anisotropy in single crystal shape memory alloys

This work presents a machine learning (ML) framework that model the anisotropic actuation responses in a shape memory alloy. A Gaussian Process Regression (GPR) based ML model is trained on a set of different crystal orientations subjected to different actuation conditions. The training employed thermo-mechanical responses from a crystal-plasticity model that captures phase-transformation, stress-induced plasticity, and transformation-induced plasticity. Further, on training the GPR-ML model at fixed stress level for different orientations, it captured the thermo-mechanical responses accounting for the anisotropy, and predicted responses for new orientations with good accuracy. The GPR-ML model is able to capture the transformation temperature variations even when trained using multiple stress levels, and the transformation strain showed significant deviations. The developed GPR-ML model gave reasonable predictions for an unexplored sample set of orientations and loading conditions.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Multi-angle Imaging SpectroRadiometer (MISR): Optical Characterization of the Spectralon Calibration Panels

The reflectance properties of an engineering model of the Spectralon panel intended for use within an On-Board Calibrator (OBC) on the NASA Multi-angle Imaging SpectroRadiometer (MISR) instrument have been fully characterized with regard to panel uniformity and isotropy in response to three incident laser wavelengths of 442, 632.8 and 859.9 nm. A regional variation in bidirectional reflectance function (BRF) across the surface of the engineering model (EM) panel, contributing to spatial non-uniformity at the +/-2% level has been measured at all three laser wavelengths. Further, a BRF anisotropy has been identified. The mechanism causing these departures from the ideal Lambertian surface may originate in the sanding of the Spectralon surface in the final stage of preparation. This is corroborated by measurements made on a 'pressed' polytetrafluoroethylene (PTFE) panel in which a greatly reduced anisotropy in panel BRF is measured. The EM panel BRF reveals deviation from a Lambertian characteristic manifest as an off-specular peak in the forward scattering direction. A common cross-over point at an angle of reflection of around 37 at which the BRF is constant within 0.4% for an illumination angle range of ui = 30 60 is observed at all three wavelengths. Two Spectralon protoflight panels which were fabricated after the engineering model was studied were also the subject of a uniformity study over part of the area of the Spectralon panels at the 442 nm wavelength. The analysis indicated that the panel uniformity satisfies the 0.5% criterion indicating improved panel preparation. However, the off specular peak in the forward scattering direction is essentially unchanged with the cross-over point at approximately 37.

Multi-angle Imaging SpectroRadiometer↗
DOE OSTI2021

Turbulence theories and statistical closure approaches

When discussing research in physics and in science more generally, it is common to ascribe equal importance to the three components of the scientific trinity: theoretical, experimental, and computational studies. This review will explore the future of modern turbulence theory by tracing its history, which began in earnest with Kolmogorov’s 1941 analysis of turbulence cascade and inertial range [A.N. Kolmogorov, Dokl. Akad. Nauk SSSR, 30, 299, (1941); 32, 19, (1941)]. The 80th Anniversary of Kolmogorov’s landmark study is a welcome opportunity to survey the achievements and evaluate the future of the theoretical approach of turbulence research. Over the years, turbulence theories have been critically important in laying the foundation of our understanding of the nature of turbulent flows. In particular, the Direct Interaction Approximation (DIA) [R.H. Kraichnan, J. Fluid Mech., 5, 497 (1959)] and its subsequent development, known as the statistical closure approach, can be identified as perhaps the most profound single advancement. The remarkable success of the statistical closure has furnished a platform to study such essential concepts as the energy transfer process and interacting scales, and the roles of the straining and sweeping motions. More recently, the quasi-Lagrangian formulation of V. L’vov & I. Procaccia and Kraichnan’s solvable passive scalar model provided powerful ways to explore another fundamental aspect of turbulent flows, the phenomena of intermittency, and the associated anomalous scaling exponents. In the meantime, the theory of fluid equilibria has been developed to describe the large-scale structures that can emerge from turbulent cascades of two-dimensional and geophysical flows at a later time. And yet, despite all these successes, analytical treatments suffer from mathematical complexities. As a result, the utility of theoretical approaches has been limited to relatively idealized flows. On the other hand, in recent decades, computational abilities and experimental facilities have reached an unprecedented scale. Looking beyond the horizon, the imminent deployment of exascale supercomputers will generate complete datasets of the entire flow field of key benchmark flows, allowing researchers to extract additional measurements concerning fully developed, complex turbulent flow fields far beyond those available from the statistical closure theories. Some other developments that could potentially influence the future course of turbulence theories include the advancement of machine learning, artificial intelligence, and data science; likely disruptions arising from the advent of quantum computation; and the increasingly prominent role of turbulence research in providing more accurate climate scientific data. Finally, turbulence theorists can leverage these developments by asking the right questions and developing advanced, sophisticated frameworks that will be able to predict and correlate vast amounts of data from the other two components of the trinity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Real-time characterization of dislocation slip and twinning of shock-compressed molybdenum single crystals

Characterizing the fundamental micromechanisms activated during plastic deformation is critical to explain the macroscopic shock response of materials and develop accurate material models. In this paper, we investigate the orientation dependence, and the mediated slip and twin systems on [100] and [111] bcc molybdenum single crystals shock compressed up to 18 GPa with real-time Laue x-ray diffraction measurements. We report that dislocation slip along the {110} < 111 > and {112} < 111 > systems is the governing deformation mechanism during compression with negligible anisotropy observed at the Hugoniot state. Here, we provide real-time evidence that molybdenum undergoes deformation twinning along {11¯2} < 111 > during shock release.

36 MATERIALS SCIENCE↗
DOE OSTI2025

T -odd parton distribution functions and azimuthal anisotropy at high transverse momentum in p − p and p − A collisions

Various azimuthal anisotropies ( v 1 , v 2 , v 3 , v 4 ), at high transverse momentum (high p T ), are shown to arise from the asymmetric scattering of transverse polarized quarks and gluons, arising from unpolarized nucleons (the Boer-Mulders effect) and resulting in unpolarized hadrons (the Collins effect). Combined with the asymmetric scattering of partons from polarization independent but transverse momentum dependent (TMD) distributions, we obtain a possible mechanism to understand the azimuthal anisotropy of hadrons at large transverse momentum observed in p − p collisions. Constraining the ratio of polarization dependent TMD distributions to polarization independent distributions by comparing with the data from p − p collisions, we find that scaling the acquired transverse momentum of the initial state partons from the proton, due to prescattering before the hard interaction, with the length of the nucleus ( k ⊥ 2 ∝ A 1 / 3 ), straightforwardly yields the azimuthal anisotropy at high p T in p − A collisions. Published by the American Physical Society 2025

Soudi, Ismail (ORCID:0000000235751782)↗
NASA NTRS2002

Sonoluminescence in Space: The Critical Role of Buoyancy in Stability and Emission Mechanisms

Sonoluminescence is the term used to describe the emission of light from a violently collapsing bubble. Sonoluminescence ("light from sound") is the result of extremely nonlinear pulsations of gas/vapor bubbles in liquids when subject to sufficiently high amplitude acoustic pressures. In a single collapse, a bubble's volume can be compressed more than a thousand-fold in the span of less than a microsecond. Even the simplest consideration of the thermodynamics yields pressures on the order of 10,000 ATM, and temperatures of at least 10,000K. On the face of things, it is not surprising that light should be emitted from such an extreme process. Since 1990 (the year that Gaitan discovered light from a single bubble) there has been a tremendous amount of experimental and theoretical research in stable, single-bubble sonoluminescence (SBSL), yet there remain at least four unexplained phenomena associated with SBSL in 1g: the light emission mechanism itself, the existence of anisotropies in the emitted light, the disappearance of the bubble at some critical acoustic pressure, and the appearance of quasiperiodic and chaotic oscillations in the flash timing. Gravity, in the context of the buoyant force, is implicated in all four of these. We are developing KC-135 experiments probing the effect of gravity on single bubble sonoluminescence. By determining the stability boundaries experimentally in microgravity, and measuring not only light emission but mechanical bubble response, we will be able to directly test the predictions of existing theories.

Thomas, Charles R.↗
DOE OSTI2021

Stress-sensitivity of fracture conductivity of Tuscaloosa Marine Shale cores

Production decline from wells producing from shale rocks is typically quite rapid. One possible factor responsible for such decline is loss in fracture conductivity. This is true in the case of the Tuscaloosa Marine shale reservoir. In this work, the stress-dependent fracture conductivity of TMS core samples is investigated using five propped cores under varying stress conditions. In addition, the effects of static rock mechanical properties and rock mineralogy on conductivity decline are investigated. The mineralogy of each core sample was determined by X-ray Diffraction analysis. Fracture conductivity was measured using a Hassler-type pressure core holder with a pressure rating of 15,000 psi (103.42 MPa). Estimated rock mechanical properties showed that shale anisotropy could affect fracture conductivity. The time decline in conductivity revealed two possible decline trends, a) decline from the reduction in induced fracture width, and b) decline from the healing of developed micro-cracks. An exponential decline in fracture conductivity with increasing confinement pressure was observed with an average decline rate constant of 3.15 x 10 -10 mPa -1 . While rock mineralogy did not have any clear relationship with conductivity decline, the effects of rock mechanical properties were only important at 10.34 MPa confinement pressure and above. The observation showed that a high Young's modulus correlate to high conductivity, whereas a high Poisson's ratio correlate to low conductivity. This study provides useful observations for optimizing fracture design to enhance well productivity in the TMS.

02 PETROLEUM↗
DOE OSTI2025

In situ deformation of antigorite-olivine two-phase mixtures: Implications for dynamics and seismic anisotropy in the mantle wedge

Water released from hydrous minerals in subducting slabs reacts with the overlying plate, resulting in widespread serpentinization in the mantle wedge. Deformation of serpentinized peridotites has been invoked to explain forearc seismic anisotropy, yet studies of the mechanical properties and deformation behaviors of serpentine-bearing multiphase aggregates remain limited. Here we deformed olivine-antigorite mixtures containing 70, 50, and 20 vol.% of antigorite at 2.5 – 7.6 GPa, 673 K and strain rates of ∼10 –5 –10 –4 s –1 . Elasto-viscoplastic self-consistent simulations, constrained by synchrotron X-ray diffraction (XRD) data, were used to estimate lattice strain, stress–strain partitioning, crystallographic preferred orientations (CPO) development, and aggregate strength. Selected run products were also analyzed by electron backscatter diffraction for comparison with the CPO results obtained from XRD experiments. We found olivine transitions from A- or B-type to C-type when antigorite fraction drops to 20 vol.%, coinciding with a microstructural change from interconnected weak layers to a load-bearing framework (LBF). An additional run on a sample Atg50/Ol50 with preexisting microstructures suggested the formation of LBF was promoted by these microstructures, although the preexisting antigorite CPO has been overprinted at 20.8 % strain and could be erased completely by subsequent deformation in nature. Estimated viscosity of the two-phase mixtures suggests that low-degree serpentinization (≤20 %) in the mantle wedge may increase the strength of olivine-rich peridotite and hinder slab-mantle decoupling, whereas high-degree serpentinization (≥50–70 %) weakens the peridotite and favors decoupling if sufficient viscosity contrast (>10) develops. Seismic anisotropy shows a nonlinear dependence on antigorite fraction: antigorite CPO governs the anisotropy of the mixtures with ≥50 vol.% antigorite, whereas olivine CPO dominates at low fractions (∼20 vol.%). The presence of pre-existing microstructures reduces seismic anisotropy of the deformed mixtures, however the persistence of pre-existing CPO in actively subducting slabs remains uncertain, making their significance over geological timescales questionable.

Crystallographic preferred orientation↗
DOE OSTI2021

Anisotropy of localized states in an anisotropic disordered medium

Highlights: • Mobility edges of the Anderson transition are unaffected by anisotropy alone. • The critical exponent of the Anderson localization transition is also unaffected. • Anderson localized eigenstates in an anisotropic medium retain substantial anisotropy. • Their anisotropy is weaker than expected from purely geometric considerations. • Modes with the longest lifetimes are found to be the most anisotropic. We study Anderson localization of a scalar wave in an ensemble of resonant point scatterers embedded in an anisotropic background medium. For uniaxial anisotropy of moderate strength, the mobility edges and the critical exponent of the localization transition are found to be unaffected by the anisotropy provided that the determinant of the anisotropy tensor is kept equal to one upon introducing the anisotropy. Localized modes have anisotropic spatial shapes although their anisotropy is weaker than the one expected from purely geometric considerations. The modes with the longest lifetimes are found to be the most anisotropic and their anisotropy increases with the size of the disordered medium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Microstructure of Methylammonium Lead iodide Perovskite Thin Films: A Comprehensive Study of the Strain and Texture

Controlling the microstructure of hybrid halide perovskite thin films is essential for optimizing their performance in optoelectronic devices. It is well established that the strain state of the perovskite layer affects its stability. Likewise, the orientation of the perovskite lattice is a determining parameter as these materials have shown pronounced anisotropies in their physical and mechanical properties. In this work, the authors focus on the understanding of the mechanisms that govern the strain and texture observed in MAPbI 3 thin films deposited on various oxide substrates. A thorough study of the evolution of the strain of the perovskite layer upon cooling down to room temperature from the crystallization temperature (100 °C) shows an essentially relaxed behavior of the perovskite layers. This result contradicts the commonly accepted hypothesis according to which MAPbI 3 layers synthesized above ambient temperature are strained due to the large mismatch in the thermal expansion coefficients of the perovskite and its substrate. The texture in MAPbI 3 layers is investigated by means of synchrotron full-field diffraction X-ray microscopy. This technique allows the direct observation of the [hh0] and [00l]-oriented domains at the origin of the observed textures, demonstrating both their twin and ferroelastic nature. The stability of the different domain orientations is investigated by DFT calculations, illustrating the determining role of the chemical environment at the film-substrate interface. PbI 2- terminated surfaces are found to favor the [hh0] orientations while for MAI-terminated ones, both [hh0] and [00l] domains are equally stabilized. The different results constitute an important step of clarification and understanding from the perspective of controlling the microstructure of perovskite layers.

36 MATERIALS SCIENCE↗