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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Technical Report

MEST has developed Materials Navigator, a machine-learning software tool, to extract/combine data from disparate sources of materials information, which can be used to make suggestions for new directions of search and discovery of materials. The goal is to create a flexible software which can help materials science researchers quickly focus on a small group of promising materials and conduct fewer and less expensive experiments for maximum impact. Materials domains of interest for the Materials Navigator include solid state electrolytes for batteries, materials for fuel cells, photovoltaics, caloric cooling materials, and permanent magnets. Our solution is useful to materials researchers in academics and industry. To date, the MEST team has already developed a prototype of the Materials Navigator, which can be used to visualize a large number of materials compounds in their “descriptor space” where materials properties are encoded in machine learning based quantities. We have used Materials Navigator to make a list of potential new materials for batteries. It has also led to the experimental discovery of a new tantalum oxide superconductor.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Development of Stable A- $\Phi$ Time-Domain Integral Equations for Multiscale Electromagnetics

Applications involving quantum physics are becoming an increasingly important area for electromagnetic engineering. To address practical problems in these emerging areas, appropriate numerical techniques must be utilized. However, the unique needs of many of these applications require new computational electromagnetic solvers to be developed. The A-4:1. formulation is a novel approach that can address many of these needs. This formulation utilizes equations developed in terms of the magnetic vector potential (A) and electric scalar potential (t.). The resulting equations overcome many of the limitations of traditional solvers and are ideal for coupling to quantum mechanical calculations. In this work, the A-4. formulation is extended by developing time domain integral equations suitable for multiscale perfect electric conducting objects. These integral equations can be stably discretized and constitute a robust numerical technique that is a vital step in addressing the needs of many emerging applications. To validate the proposed formulation, numerical results are presented which demonstrate the stability and accuracy of the method.

42 ENGINEERING↗
DOE OSTI2019

Big Bang Nucleosynthesis with an Inhomogeneous Primordial Magnetic Field Strength

In this work we investigate the effect on the Big Bang nucleosynthesis (BBN) from the presence of a stochastic primordial magnetic field (PMF) whose strength is spatially inhomogeneous. We assume a uniform total energy density and a Gaussian distribution of field strength. In this case, domains of different temperatures exist in the BBN epoch due to variations in the local PMF. We show that in such a case, the effective distribution function of particle velocities averaged over domains of different temperatures deviates from the Maxwell–Boltzmann distribution. This deviation is related to the scale invariant strength of the PMF energy density $ρ_{Bc}$ and the fluctuation parameter $σ_B$. We perform BBN network calculations taking into account the PMF strength distribution and deduce the element abundances as functions of the baryon-to-photon ratio $η, ρ_{Bc}$, and $σ_B$. We find that the fluctuations of the PMF reduce the 7 Be production and enhance D production. We analyze the averaged thermonuclear reaction rates compared with those of a single temperature and find that the averaged charged-particle reaction rates are very different. Finally, we constrain the parameters $ρ_{Bc}$ and $σ_B$ from observed abundances of 4 He and D and find that the 7 Li abundance is significantly reduced. We also find that if the $η$ value during BBN was larger than the present-day value due to a dissipation of the PMF or a radiative decay of exotic particles after BBN or if the stellar depletion of 7 Li occurred, abundances of all light elements can be consistent with observational constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Combined Dimensional and Topology Optimization of Synchronous Machine Rotors Using a Material Density Interpolation Method

This article presents a magneto-structural combined dimensional and topology optimization technique for interior permanent magnet synchronous machine (IPMSM) and wound field synchronous machine (WFSM) rotors. Dimensional changes to the permanent magnet (PM) and rotor winding location or size are accomplished by interpolating or projecting a smoothed Heaviside rectangular function representing the presence of PM material onto the IPMSM rotor design domain mesh, whereas the presence of copper material for WFSM rotor is interpolated in the same manner. A density based Solid Isotropic Material with Penalization (SIMP) topology optimization approach is then used to vary the presence of electrical steel in mesh elements to form flux barriers around the PM. The proposed method enforces a defined shape for the PM without requiring the mesh in the design domain to be deformed. Four examples are presented to demonstrate the technique: Two flat bar IPMSM, one V-shaped IPMSM, and a WFSM. Here, a comparative study is performed on one of the flat bar IPMSMs using Metamodel of Optimal Prognosis (MOP) based method.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Domain state exchange bias in a single layer FeRh thin film formed via low energy ion implantation

Modern spintronics relies heavily on the exchange bias effect to pin the orientation of ferromagnetic layers in magnetic tunnel junctions. The current implementations of exchange bias in magnetic tunnel junctions employ pristine interfaces between antiferromagnetic and ferromagnetic layers. Here we reveal an interfacial exchange bias introduced by a single-step, low-energy ion implantation process in a single layer FeRh thin film. Both 1 keV He + ions and 5 keV Fe + were investigated, their energy selected to ensure the ions would stop within the FeRh film. The ions reduce the metamagnetic transition temperature through defect generation to form a surface layer with ferromagnetic ordering. Temperature dependent magnetism measurements reveal a room temperature exchange bias between the ferromagnetic surface and the antiferromagnetic bulk of ~41 Oe in 5 keV Fe + implanted samples and ~36 Oe for 1 keV He + implanted samples. We directly scrutinize this exchange bias effect in magnetic depth profiles obtained by polarized neutron reflectometry which clearly show a pinned ferromagnetic layer adjacent to the disordered layer created by low energy Fe + ion implantation. These results reveal a novel method to implement exchange bias in an antiferromagnetic layer that can have direct application in the field of spintronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Spin-flop coupling at L⁢a 0.5 ⁢S⁢r 0.5 ⁢Fe⁢O 3 /L⁢a 0.7⁢ S⁢r 0.3 ⁢Mn⁢O 3 interfaces

Antiferromagnetic (AFM) spintronics offer several benefits compared to their ferromagnetic (FM) counterparts, such as high storage capacity and faster processing speed, however, difficulties in manipulating and detecting the AFM moments impede their implementation. Spin-flop coupling, the interfacial perpendicular coupling between FM and AFM moments, can be utilized to control the orientation of AFM moments with the application of moderate magnetic fields on the scale of tenths of a Tesla. Here, in this work, epitaxial bilayers of AFM La 0.5 Sr 0.5 FeO 3 (LSFO)/FM La 0.7 Sr 0.3 MnO 3 (LSMO) with fixed LSMO thickness (~85 u.c.) and LSFO thicknesses varying from 10 to 50 u.c. were investigated to determine the effect of Sr doping and La 1-x Sr x FeO 3 magnetocrystalline anisotropy on the strength of spin-flop coupling. X-ray magnetic linear dichroism demonstrated that the spin-flop coupling strength decreased with increasing LSFO layer thickness, persisting at a thickness of 50 u.c. (~20 nm). Furthermore, photoemission electron microscopy revealed a domain-by-domain correlation between the FM and AFM domains consistent with the perpendicular orientation dictated by spin-flop coupling. These results demonstrate that LSFO/LSMO bilayers have the potential to serve as a model materials system for AFM spin transport measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Chiral-Bubble-Induced Topological Hall Effect in Ferromagnetic Topological Insulator Heterostructures

In this letter, we report compelling evidence of emergent topological Hall effect (THE) from chiral bubbles in a two-dimensional uniaxial ferromagnet, V-doped Sb 2 Te 3 heterostructure. The sign of THE signal is determined by the net curvature of domain walls in different domain configuration, and the strength of THE signal is correlated with the density of nucleation or pinned bubble domains. The experimental results are in good agreement with the integrated linear transport and Monte Carlo simulations, corroborating the emergent gauge field at chiral magnetic bubbles. Lastly, our findings not only reveal a general mechanism of THE in two-dimensional ferromagnets, but also pave the way for the creation and manipulation of topological spin textures for spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

RF wave simulation for cold edge plasmas using the MFEM library

A newly developed generic electro-magnetic (EM) simulation tool for modeling RF wave propagation in SOL plasmas is presented. The primary motivation of this development is to extend the domain partitioning approach for incorporating arbitrarily shaped SOL plasmas and antenna to the TORIC core ICRF solver, which was previously demonstrated in the 2D geometry [S. Shiraiwa, et. al., “HISTORIC: extending core ICRF wave simulation to include realistic SOL plasmas”, Nucl. Fusion in press], to larger and more complicated simulations by including a 3D realistic antenna and integrating RF rectified sheath potential model. Such an extension requires a scalable high fidelity 3D edge plasma wave simulation. We used the MFEM [http://mfem.org], open source scalable C++ finite element method library, and developed a Python wrapper for MFEM (PyMFEM), and then a radio frequency (RF) wave physics module in Python. This approach allows for building a physics layer rapidly, while separating the physics implementation being apart from the numerical FEM implementation. An interactive modeling interface was built on pScope [S Shiraiwa, et. al. Fusion Eng. Des. 112, 835] to work with an RF simulation model in a complicated geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Complex field reversal dynamics in nanomagnetic systems

Nanomagnetic materials, built from thin, patterned films of ferromagnetic materials, began as analogues to frustrated magnetism. Their low energy of operation and emergent properties make them strong candidates for physics-based devices. A recent model of how nanomagnetic domains flip, the Glauber mean-field model, is used here to understand how systems of nanomagnets evolve when opposed by external field. This reversal can be expressed in an analytical form in the case of one-dimensional chains and trees at zero temperature, where the cascade of spin flips gives rise to harmonic power spectra. Finally, the same cascades in two and three dimensions form fractal field reversal clusters whose shape depends on the strength of the field and the tuning of interactions between nanomagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Network model for periodically strained graphene

The long-wavelength physics of monolayer graphene in the presence of periodic strain fields has a natural chiral scattering network description. When the strain field varies slowly compared to the graphene lattice and the effective magnetic length of the induced valley pseudomagnetic field, the low-energy physics can be understood in terms of valley-polarized percolating domain-wall modes. Inspired by a recent experiment, we consider a strain field with threefold rotation and mirror symmetries but without twofold rotation symmetry, resulting in a system with the connectivity of the oriented kagome network. Scattering processes in this network are captured by a symmetry-constrained phenomenological S matrix. Here, we analyze the phase diagram of the kagome network and show that the bulk physics of the strained graphene can be qualitatively captured by the network when we account for a percolation transition at charge neutrality. We also discuss the limitations of this approach to properly account for boundary physics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Current-Driven Magnetization Reversal in Orbital Chern Insulators

Graphene multilayers with flat moiré minibands can exhibit the quantized anomalous Hall effect due to the combined influence of spontaneous valley polarization and topologically nontrivial valley-projected bands. The sign of the Hall effect in these Chern insulators can be reversed either by applying an external magnetic field, or by driving a transport current through the system. Here we propose a current-driven mechanism whereby reversal occurs along lines in the (current I , magnetic-field B ) control parameter space with slope d I / d B = ( e / h ) M A M ( 1 – γ 2 ) / γ , where M is the magnetization, A M is the moiré unit cell area, and γ < 1 is the ratio of the chemical potential difference between valleys along a domain wall to the electrical bias e V .

2-dimensional systems↗
DOE OSTI2024

The Radiative Magneto-Hydrodynamics of Colliding Flow: Instabilities, Reconnection and Exoplanet Atmosphere Connections

Hypersonic flows of magnetized plasmas naturally produce strong shocks when obstructions or self‐interactions (flow collisions) occur. Such complex flows occur in a wide variety of HEDP settings such as Z‐pinches and laser driven implosion experiments that include magnetic fields via explosive Helmholtz coils (MIFEDS) When thermal energy behind the shocks can be lost to optically thin radiation, the flow dynamics becomes even more complex, admitting a range of new instabilities such as the Nonlinear Thin Shell Instability (NTSI). Because of their inherent non‐ linearity, multi‐dimensionality and time‐dependence (i.e. turbulence), the ability to articulate the underlying physics of colliding hypersonic magnetized flows represents a significant frontier in HEDP studies. The addition of radiative cooling to these flows propels the study even further into the domain of extreme plasma physics. Exploration of these forms of HED plasmas is of interest to basic plasma physics as well as of interest for their application to Inertial Confinement Fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Design principles for skyrmions in f-electron materials

Spin textures with particle-like properties were recently discovered in bulk magnets. Just like fundamental particles, these so-called skyrmions (see Fig. 1) can be created, stabilized and annihilated. Importantly, skyrmions can be easily moved through materials by current densities six orders of magnitude smaller than those of domain walls. Their particle-like properties arise from their unique topology and make them highly promising for applications in quantum information systems. This will allow the U.S. to move beyond Moore’s law—a grand challenge outlined both in LANL’s materials strategy and a recent DOE Basic Research Needs report [9]. Despite this potential, progress towards efficient devices is currently limited because skyrmions are only observed in magnets lacking inversion symmetry, which drastically limits the number of skyrmion materials. Here, based on our recent theoretical breakthrough in the modeling of mesoscale magnetic structures, we will pursue a new mechanism to stabilize skyrmions in f-electron materials for which LANL is a world leader. Our novel approach removes the constraint of broken inversion symmetry and also has advantages for applications. This approach can now be realized due to the unique co-location of multiscale modeling in T4 and synthesis and Hall measurement capabilities in MPA-CMMS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Multi-scale structures of turbulent magnetic reconnection

We have analyzed data from a series of 3D fully kinetic simulations of turbulent magnetic reconnection with a guide field. A new concept of the guide filed reconnection process has recently been proposed, in which the secondary tearing instability and the resulting formation of oblique, small scale flux ropes largely disturb the structure of the primary reconnection layer and lead to 3D turbulent features [W. Daughton et al., Nat. Phys. 7, 539 (2011)]. In this paper, we further investigate the multi-scale physics in this turbulent, guide field reconnection process by introducing a wave number band-pass filter (k-BPF) technique in which modes for the small scale (less than ion scale) fluctuations and the background large scale (more than ion scale) variations are separately reconstructed from the wave number domain to the spatial domain in the inverse Fourier transform process. Combining with the Fourier based analyses in the wave number domain, we successfully identify spatial and temporal development of the multi-scale structures in the turbulent reconnection process. When considering a strong guide field, the small scale tearing mode and the resulting flux ropes develop over a specific range of oblique angles mainly along the edge of the primary ion scale flux ropes and reconnection separatrix. The rapid merging of these small scale modes leads to a smooth energy spectrum connecting ion and electron scales. When the guide field is sufficiently weak, the background current sheet is strongly kinked and oblique angles for the small scale modes are widely scattered at the kinked regions. Similar approaches handling both the wave number and spatial domains will be applicable to the data from multipoint, high-resolution spacecraft observations such as the NASA magnetospheric multiscale (MMS) mission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

The type II Weyl semimetals at low temperatures: Chiral anomaly, elastic deformations, zero sound

We consider the properties of the type II Weyl semimetals at low temperatures basing on the particular tight-binding model. In the presence of electric field directed along the line connecting the Weyl points of opposite chirality the occupied states flow along this axis giving rise to the creation of electron–hole pairs. The electrons belong to a vicinity of one of the two type II Weyl points while the holes belong to the vicinity of the other. This process may be considered as the manifestation of the chiral anomaly that exists without any external magnetic field. It may be observed experimentally through the measurement of conductivity. Next, we consider the modification of the theory in the presence of elastic deformations. In the domain of the considered model, where it describes the type I Weyl semimetals the elastic deformations lead to the appearance of emergent gravity. In the domain of the type II Weyl semimetals the form of the Fermi surface is changed due to the elastic deformations, and its fluctuations represent the special modes of the zero sound. We find that there is one to one correspondence between them and the sound waves of the elasticity theory. Next, we discuss the influence of the elastic deformations on the conductivity. The particularly interesting case is when our model describes the intermediate state between the type I and the type II Weyl semimetal. Then without the elastic deformations there are the Fermi lines instead of the Fermi points/Fermi surface, while the DC conductivity vanishes. However, even small elastic deformations may lead to the appearance of large conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Influence of dislocations and twin walls in BaTiO 3 on the voltage-controlled switching of perpendicular magnetization

In this work, we investigate the influence of dislocations and twin walls in BaTiO 3 on its ferroelectric response and the resulting effect on the perpendicular magnetic anisotropy (PMA) of a strain-coupled [Co\Ni] n film. A dense twinned structure in conjunction with a high dislocation density significantly reduces the converse piezoelectric effect of BaTiO 3 by hindering the propagation of newly nucleated domains with an applied electric field. This, in turn, results in a modest reduction of the PMA of the ferromagnetic layer. On the other hand, the ferroelectric polarization reorients from [100] to [001] direction in a dislocation-free BaTiO 3 , inducing the maximum achievable in-plane compressive strain of 1.1%. A large fraction of this uniaxial strain is transferred to the magnetoelastically coupled ferromagnetic layers whose magnetization switches to in plane via the inverse magnetostriction effect. This work reveals the critical role of the interplay between twin walls and dislocations within a ferroelectric substrate in the performance of multiferroic heterostructures and provides insight into the development of highly energy-efficient magnetoelectric devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗