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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Proximity enhanced magnetism at NiFe 2 O 4 /Graphene interface

Here, we explore the change in effective magnetic anisotropy of the ferrimagnetic (FM) insulator nickel ferrite (NFO) thin film due to the inclusion of monolayer graphene (MLG) grown on top of the NFO layer. This was done by performing radio frequency (RF) transverse susceptibility (TS) measurements on bare NFO and NFO/MLG bilayer samples for both in-plane (IP) and out-of-plane (OOP) configurations utilizing a tunnel diode oscillator technique. Our magnetometry measurements indicated an enhancement in the overall saturation magnetization of the NFO/MLG bilayer with respect to the bare NFO film. The TS measurements reveal that the inclusion of MLG reduces the effective magnetic anisotropy for both IP and OOP configurations drastically, by up to a factor of 2 over the temperature range 40 K ≤ T ≤ 280 K. Since NFO is a magnetic substrate, it is possible that NFO could induce magnetic ordering in MLG at the NFO/MLG interface via the magnetic proximity effect. Furthermore, since NFO is insulating and MLG is a semimetal, there likely exists a large conductivity difference at the interface, making charge transfer plausible. These two effects could modify the interfacial magnetism leading to a change in the effective magnetic anisotropy. These results highlight the importance of understanding the interfacial magnetism of FM/MLG heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigation of the Anisotropy of Y-Ba-Cu-O Thin Films With Photoemission Electron Microscopy

Understanding the anisotropy in the electrical properties of YBa2Cu3O7-δ (YBCO) is important for understanding the fundamental mechanism of superconductivity in unconventional superconductors. Additionally it is also essential for achieving uniform and controllable critical currents and resistances in YBCO Josephson junctions. Here, this study correlates work function measurements of different intrinsic regions on YBCO thin films, obtained through PhotoEmission Electron Microscopy (PEEM), with in plane tunneling data and helium ion imaging. YBCO thin films, 40 nm in thickness, were selectively irradiated with 300 keV helium using a Pelletron to investigate the effects of irradiation compared to unirradiated regions. Post-irradiation PEEM images revealed distinct contrasts between irradiated and non-irradiated regions, suggesting a metal-to-insulator transition. In non-irradiated areas, a domain pattern was detected, showing a 25 meV difference in work function, attributed to CuO and BaO rich surface regions. A similar domain structure was observed using high-resolution helium ion imaging; however, the helium ion beam can damage the YBCO, making PEEM a valuable non-destructive alternative. This work highlights the correlation between PEEM measurements and in-plane tunneling properties of YBCO, providing insights into material orientation and its impact on Josephson junction performance. Furthermore, it offers a non-destructive approach to understanding the anisotropy of cuprate materials, its superconducting properties, and the factors affecting Josephson junction performance.

Qu, Rochelle Y. [Univ. of California, Riverside, C↗
DOE OSTI2022

The structure of 3-D collisional magnetized bow shocks in pulsed-power-driven plasma flows

Here we investigate three-dimensional (3-D) bow shocks in a highly collisional magnetized aluminium plasma, generated during the ablation phase of an exploding wire array on the MAGPIE facility (1.4 MA, 240 ns). Ablation of plasma from the wire array generates radially diverging, supersonic ($M_S$ $\sim 7$), super-Alfvénic ($M_A>1$) magnetized flows with frozen-in magnetic flux $(R_M\gg1)$. These flows collide with an inductive probe placed in the flow, which serves both as the obstacle that generates the magnetized bow shock, and as a diagnostic of the advected magnetic field. Laser interferometry along two orthogonal lines of sight is used to measure the line-integrated electron density. A detached bow shock forms ahead of the probe, with a larger opening angle in the plane parallel to the magnetic field than in the plane normal to it. Since the resistive diffusion length of the plasma is comparable to the probe size, the magnetic field decouples from the ion fluid at the shock front and generates a hydrodynamic shock, whose structure is determined by the sonic Mach number, rather than the magnetosonic Mach number of the flow. The 3-D simulations performed using the resistive magnetohydrodynamic (MHD) code Gorgon confirm this picture, but under-predict the anisotropy observed in the shape of the experimental bow shock, suggesting that non-MHD mechanisms may be important for modifying the shock structure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Inherent stochasticity during insulator–metal transition in VO 2

Vanadium dioxide (VO 2 ), which exhibits a near-room-temperature insulator–metal transition, has great potential in applications of neuromorphic computing devices. Although its volatile switching property, which could emulate neuron spiking, has been studied widely, nanoscale studies of the structural stochasticity across the phase transition are still lacking. In this study, using in situ transmission electron microscopy and ex situ resistive switching measurement, we successfully characterized the structural phase transition between monoclinic and rutile VO 2 at local areas in planar VO 2 /TiO 2 device configuration under external biasing. After each resistive switching, different VO 2 monoclinic crystal orientations are observed, forming different equilibrium states. We have evaluated a statistical cycle-to-cycle variation, demonstrated a stochastic nature of the volatile resistive switching, and presented an approach to study in-plane structural anisotropy. Furthermore, our microscopic studies move a big step forward toward understanding the volatile switching mechanisms and the related applications of VO 2 as the key material of neuromorphic computing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of variable deceleration periods on Rayleigh-Taylor instability with acceleration reversals

The dynamics of an interfacial flow that is initially Rayleigh-Taylor unstable but becomes statically stable for some intermediate period due to the reversal of the externally imposed acceleration field is studied. We discuss scenarios that consider both single and double-acceleration reversals. The accel-decel (AD) case consists of a single reversal imposed at an instant after the constant acceleration instability has entered a self-similar regime. The layer of mixed fluid ceases to grow upon acceleration reversal, and the dominant mechanics are due to internal wave oscillations. Variation of mass flux and the Reynolds stress anisotropy is observed due to the action of the internal waves. Here, a second reversal of the AD case that is termed as accel-decel-accel, ADA is then explored; the response of the mixing layer is shown to depend strongly on the duration and the periodicity of the Reynolds stress anisotropy of the mixing layer during the deceleration period. We explore the effect of this variable deceleration period after the second acceleration reversal where the flow once again becomes Rayleigh-Taylor unstable based on metrics that include the integral mixing-layer width, bubble and spike amplitudes, mass flux, Reynolds stress anisotropy tensor, and the molecular mixing parameter.

42 ENGINEERING↗
DOE OSTI2021

Molecular View on Mechanical Reinforcement in Polymer Nanocomposites

The microscopic origin of mechanical enhancement in polymer nanocomposite (PNC) melts is investigated through the combination of rheology and small-angle neutron scattering. It is shown that in the absence of an extensive particle network, the molecular deformation of polymer chains dominates the stress response on intermediate time scales. Quantitative analyses of small-angle neutron scattering spectra, however, reveal no enhanced structural anisotropy in the PNCs, compared with the pristine polymers under the same deformation conditions. These results can demonstrate that the mechanical reinforcement of PNCs is not due to molecular overstraining, but instead a redistribution of strain field in the polymer matrix, akin to the classical picture of hydrodynamic effect of nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fabric-enriched continuum breakage mechanics (F-CBM )

A fabric-enriched continuum breakage mechanics (F-CBM) framework is developed to examine the relation between elastic and inelastic anisotropy in granular materials subjected to high pressure. For this purpose, emphasis is given to the influence of the anisotropic fabric on the plastic cap regime – that is, a macroscopic signature of the inelasticity of granular materials widely dependent on the particle crushability. Anisotropic behaviour prior to yielding is introduced through a symmetric second-order fabric tensor embedded in the expression of the elastic energy potential. It is shown that, thanks to its energy-based formulation, the F-CBM framework provides a platform to predict the rotation and distortion of the yield cap of granular materials as an outcome of anisotropic strain energy storage prior to grain crushing. Parametric analyses indicate that both the degree of anisotropy and the orientation of the fabric have an impact on the energy release resulting from grain crushing and contribute to the resulting stress–strain behaviour. It is shown that, despite the use of very few parameters, the proposed framework can accurately predict the anisotropic yielding and inelastic stress–strain response solely on the basis of the directional properties inferred from measurements of elastic anisotropy.

Engineering↗
DOE OSTI2026

Ultrafast Light-Induced Magnetoelectric Effect in van der Waals Magnetic Semiconductor Heterostructures

Atomic-scale heterostructures of van der Waals (vdW) magnets and semiconductors provide a unique environment for exploring magnetic dynamics. In contrast to typical photothermal excitation of precessional magnetization dynamics by a pump laser pulse, we find that ultrafast optical excitation of a WS2/CrGeTe3 (CGT) bilayer produces an opposite sign of magnetic torque compared to an isolated CGT film. Experimental observations by time-resolved magneto-optic Kerr effect (TR-MOKE) and theoretical analysis by density functional theory (DFT) and Landau-Lifshitz-Gilbert (LLG) simulations support a mechanism in which charge transfer of photoexcited carriers across the interface alters the perpendicular magnetic anisotropy, which in turn generates a torque on the magnetic layer to trigger precessional magnetization dynamics. These results provide new avenues for ultrafast manipulation of magnetization in vdW heterostructures with type-II band alignments. Lastly, we show that optically-generated spin currents from WS2 into CGT can also trigger precessional dynamics via angular momentum transfer.

Zhou, Wenyi [The Ohio State University]↗
DOE OSTI2022

Experimental and numerical study on the impacts of various long carbon fiber inserts on the thermal performance of phase change materials

In thermal energy storage systems, phase change materials (PCMs) are widely used to provide efficient storing and extraction of thermal energy. However, most PCMs have low thermal conductivities, which limit the heat transfer of the latent energy inward/outward. In this study, the impacts of various fiber inserts on the solidification and melting processes with PCM were investigated by experiments and simulations. It was found that long anisotropic carbon fibers with high thermal conductivities can not only increase the heat transfer within PCM by enlarging hot-cold interface areas, but also act as crystallization nuclei and increase the solidification of PCM during the charging process. Recalescence of PCM during solidification was observed. COMSOL models were used to understand the thermal transfer mechanisms. COMSOL Multiphysics models of a single carbon fiber filament in PCM showed that the anisotropy in thermal conductivities controlled the radial and axial heat transfer ratios along its fiber axis and can enhance both the solidification and melting processes.

Zhou, Xinzhang↗
DOE OSTI2023

Effect of lattice orientation on compressive properties of selective laser sintered nylon lattice coupons

As AM lattices become more popular in medical devices, it is important to consider how lattice design parameters affect the mechanical integrity and performance of a device. This research investigated the effect of lattice orientation on the compressive mechanical response of five common lattice geometries: Hexagonal Honeycomb (Hex), Diamond, Voronoi Tessellation Method (VTM), sheet-based Gyroid, and Face-Centered-Cubic (FCC). Samples were tested at two relative densities and eight orientations, printed in Nylon 12 (PA2200) on an EOS P396. The mechanical response was compared to simulated finite element analysis (FEA) response for Hex and FCC lattices. Hex lattices displayed significant orientation dependance. Diamond lattices demonstrated some orientation dependance when at a lower relative density. Gyroid, FCC, and VTM all displayed minimal orientation dependance. Increasing lattice relative density appeared to reduce anisotropy among tested orientations of all lattice geometries except Hex. FEA simulations were able to produce a trend response that matched the mechanical response trends based on the investigated orientations. Furthermore, these results support the need for multi axial lattice mechanical test considerations. It also bolsters the need for lattice FEA models to have a sufficient comparator when identifying “worst-case” lattice test scenarios.

36 MATERIALS SCIENCE↗
DOE OSTI2021

MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials

We report the MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix ( C ij ) obtained from any ab-initio density-functional theory (DFT) code. The current version of this package reads the output of VASP, ABINIT, and Quantum Espresso codes (but it can be easily generalized to any other DFT code) and performs the appropriate post-processing of elastic constants as per the requirement of the user. This program can also detect the input structure's crystal symmetry and test the mechanical stability of all crystal classes using the Born-Huang criteria. Various useful material-specific properties such as elastic moduli, longitudinal and transverse elastic wave velocities, Debye temperature, elastic anisotropy, 2D layer modulus, hardness, Pugh's ratio, Cauchy's pressure, Kleinman's parameter, and Lame's coefficients, can be estimated using this program. Another existing feature of this program is to employ the ELATE package (2016) [29] and plot the spatial variation of several elastic properties such as Poisson's ratio, linear compressibility, shear modulus, and Young's modulus in three dimensions. Further, the MechElastic package can plot the equation of state (EOS) curves for energy and pressure for a variety of EOS models such as Murnaghan, Birch, Birch-Murnaghan, and Vinet, by reading the inputted energy/pressure versus volume data obtained via numerical calculations or experiments. This package is particularly useful for the high-throughput analysis of elastic and mechanical properties of materials.

2D materials↗
NASA NTRS1998

Determining the Molecular Growth Mechanisms of Tetragonal Lysozyme Crystals

Studies of the growth of tetragonal lysozyme crystals employing atomic force microscopy (AFM) have shown the advantages of this technique in investigating the growth mechanisms of protein crystals [1]. The resolution of these studies was in the micron range, which revealed surface features such as the occurrence of dislocations and 2D nucleation islands, similar to those found in inorganic systems. They clearly showed that the crystals grew by these surface growth mechanisms. However, the studies also revealed some surprising features, such as bimolecular growth step heights and pronounced growth anisotropies on the (110) face, which could not be explained. In previous studies we employed Periodic Bond Chain (PBC) theory to tetragonal lysozyme crystal growth and found that the crystals were constructed by strongly bonded molecular chains forming helices about the 43 axes [2,3]. The helices were connected to each other with weaker bonds. The growth process was shown to proceed by the formation of these 43 helices, resulting in bimolecular growth steps on the (110) face. It was also shown to explain many other observations on tetragonal lysozyme crystal growth. Although PBC analysis is not a new technique [4], it has not been widely used as the mechanisms predicted from it could not be experimentally verified. In this study the growth process of these crystals was investigated, particularly for the (110) face, employing some newly developed high resolution AFM techniques. These techniques allowed individual lysozyme molecules on the crystal faces to be resolved and predictions from PBC analyses to be tested. The analyses had shown that of the two possible packing arrangements on (110) faces, only one would actually occur. Employing the first of the newly developed techniques, these faces were scanned by high resolution AFM. The resulting images were then compared with the theoretically constructed images for the two possible packing arrangements on the (110) face. The theoretical images were constructed by convolution of the crystal surface shape obtained from crystallographic data with the AFM tip shape. The comparison confirmed the prediction that the molecular packing arrangement of these faces corresponded to that for complete 43 helices. The second AFM technique that was developed was used to follow the growth process by measuring the dimensions of individual growth units on the (110) face. Linescans across a growth step, performed near the saturation limit of the crystals, allowed the growth unit dimensions to be measured. These measurements showed that growth on the (110) face proceeded by the formation of new 43 helices from the addition of at least tetramer units in the [110] direction. In the [001] direction growth proceeded by the addition of various aggregate units corresponding to the 4(sub 3) helices.

Li, Huayu↗
DOE OSTI2025

Structural Analysis of a Serpentine Superconducting Magnet for the Interaction Region of the Electron Ion Collider

The electron ion collider (EIC) is under design to collide the high energy and highly polarized hadron with electron beams with luminosities up to 10 34 cm −2 s −1 . The superconducting magnet designs at the interaction region (IR) are quite challenging due to the close proximity of the hadron and electron beams. Several serpentine types of superconducting magnets have been designed due to the space restrictions at the IR. Here, to validate the designs in terms of the mechanical strength, structural integrity, as well as the allowed deformations, a detailed structural mechanical analysis for a 12-layer superconducting quadrupole serpentine magnet (Q1BpR) in the rear side hadron beams has been carried out using the finite element method (FEM) considering the pretension stress, shrinking due to cool down, and the electromagnetic force on the conductors. Anisotropy material properties and individual roving tension have been considered. The electro-magnetic (EM) simulations were performed using COMSOL, confirmed with RAT, the structural mechanical analysis were performed using COMSOL by considering the contact elements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1998

Computer Simulation of the far Infrared Collision Induced Absorption Spectra of Gaseous CO2

Far infrared collision induced absorption spectra of gaseous CO2 were computed using molecular dynamics simulations. The quadrupole and hexadecapole multipolar induction, through the trace, and the anisotropy of the molecular polarizability were found to be insufficient to represent properly the dipole induction mechanism. For a detailed analysis of the induction process the spectra obtained were decomposed into components resulting from different terms of the induced dipole. Based on this decomposition, all additional overlap contribution for each term was proposed. When spectra were recomputed including such overlap, good agreement between experiment and simulation was achieved over the temperature range at which measurements exist (233-400 K). The use of an anisotropic intermolecular potential was found to be of critical importance for obtaining the right shape of the far wings of the spectra.

Gruszka, Marcin↗
NASA NTRS2011

Solar Wind Strahl Observations and Their Implication to the Core-Halo Formation due to Scattering

A study of the kinetic properties of the strahl electron velocity distribution functions (VDF?s) in the solar wind is presented. This study focuses on the mechanisms that control and regulate the electron VDF?s and the stability of the strahl electrons in the solar wind; mechanisms that are not yet well understood. Various parameters are investigated such as the strahl-electron density, temperature anisotropy, and electron heat-flux. These parameters are used to investigate the stability of the strahl population. The analysis check for whether the strahl electrons are constrained by some instability (e.g., the whistler or KAW instabilities), or are maintained by other types of processes. The electron heat-flux and temperature anisotropy are determined by modeling of the 3D-VDF?s from which the moments properties of the various populations are obtained. The results of this study have profound implication on the current hypothesis about the probable formation of the solar wind halo electrons produced from the scattering of the strahl population. This hypothesis is strengthened by direct observations of the strahl electrons being scattered into the core-halo in an isolated event. The observation implies that the scattering of the strahl is not a continuous process but occurs in bursts in regions where conditions for wave growth providing the scattering are optimum. Sometimes, observations indicate that the strahl component is anisotropic (Tper/Tpal approx. 2). This provides a possible free energy source for the excitation of whistler waves as a possible scattering mechanism, however this condition is not always observed. The study is based on high time resolution data from the Cluster/PEACE electron spectrometer.

Vinas, Adolfo F.↗
DOE OSTI2020

Generation of a quasi-static magnetic field by a circularly polarised laser pulse due to tunnelling gas ionisation

We present a theoretical model of the quasi-static magnetic field generation in a laser channel, which is formed behind the front of a short laser pulse that ionises a gas. The generation of a magnetic field is caused by the appearance of the electron pressure anisotropy during tunnelling ionisation of atoms. In the considered case of subrelativistic laser light intensities, the generated magnetic field can reach ∼1 MG with an energy transformation ratio of about 1 %, which paves the way for identifying the proposed mechanism when use is made of a wide class of ultrashort pulse lasers. (interaction of laser radiation with matter. laser plasma)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Investigating a novel magnetic MAX phase nitride and its (001)-surfaces

We report magnetic MAX phases including their surfaces exhibit promising functional properties for magneto-electronic devices and self-monitoring smart coatings. By employing an integrated ab-initio approach, here we investigate a new member of the MAX phase, Mn 2 AuN. This compound satisfies the chemical, mechanical and dynamical stability criteria, leading to a possibility of its synthesis, and exhibits electronic and elastic anisotropy. The identified ferromagnetic configuration (with high Curie temperature) is the most energetically favorable among the five different spin configurations i.e., non-magnetic, ferromagnetic, and three anti-ferromagnetic. From the coatings perspective, the surface properties of Mn 2 AuN(001) terminations are investigated considering the four possible surface termination models. Remarkably, the magnetism does not get vanished even after cleaving the bulk unit cell into the (001)-surfaces. While evaluating the surface energetics in different chemical potentials, the N-001 terminated surface comes out to be the most stable termination contrasting with carbide MAX phases and is the only termination that exhibits the magnetic characteristics.

36 MATERIALS SCIENCE↗