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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

2D Simulations of Diamagnetic Loop Calibrations

Diamagnetic loops can be used as a non-invasive method for measurements of beam size in electron beam accelerators that use solenoidal magnetic transport. A comprehensive theory for interpreting data from a diamagnetic loop relates the rms beam radius to the excluded flux measured by the loop and the beam current. Thus, primary calibration of the loop must relate the loop signal directly to the exclude d flux. We have simulated these calibrations with a 2D field solver in order to identify possible sources of uncertainty in our calibration technique.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Coherent control of asymmetric spintronic terahertz emission from two-dimensional hybrid metal halides

Abstract Next-generation terahertz (THz) sources demand lightweight, low-cost, defect-tolerant, and robust components with synergistic, tunable capabilities. However, a paucity of materials systems simultaneously possessing these desirable attributes and functionalities has made device realization difficult. Here we report the observation of asymmetric spintronic-THz radiation in Two-Dimensional Hybrid Metal Halides (2D-HMH) interfaced with a ferromagnetic metal, produced by ultrafast spin current under femtosecond laser excitation. The generated THz radiation exhibits an asymmetric intensity toward forward and backward emission direction whose directionality can be mutually controlled by the direction of applied magnetic field and linear polarization of the laser pulse. Our work demonstrates the capability for the coherent control of THz emission from 2D-HMHs, enabling their promising applications on the ultrafast timescale as solution-processed material candidates for future THz emitters.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods

The field of 2D materials has grown dramatically in the past two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic, clean energy, and quantum computing applications. These 2D structures, which are often exfoliated from layered van der Waals materials, possess highly inhomogeneous electron densities and can possess short- and long-range electron correlations. The complexities of 2D materials make them challenging to study with standard mean-field electronic structure methods such as density functional theory (DFT), which relies on approximations for the unknown exchange-correlation functional. To overcome the limitations of DFT, highly accurate many-body electronic structure approaches such as diffusion Monte Carlo (DMC) can be utilized. In the past decade, DMC has been used to calculate accurate magnetic, electronic, excitonic, and topological properties in addition to accurately capturing interlayer interactions and cohesion and adsorption energetics of 2D materials. Here, this approach has been applied to 2D systems of wide interest, including graphene, phosphorene, MoS 2 , CrI 3 , VSe 2 , GaSe, GeSe, borophene, and several others. In this review article, we highlight some successful recent applications of DMC to 2D systems for improved property predictions beyond standard DFT.

2D materials↗
NASA NTRS1991

The ionopause current layer at Venus

The results of recent theoretical models for the magnetic field in the ionosphere of Venus are reviewed, with special attention given to the 1D MHD model of Shinagawa and Cravens (1989) and the 2D kinematic dynamo model of Cravens et al. (1990). The results are used to examine the behavior of the ionopause, and it is suggested that the sensitivity of horizontal plasma transport to the presence of a magnetic field and the convergence of the vertical flow explain the narrowness of the Venus ionopause. During high solar wind dynamic pressure conditions, ion-neutral friction also plays an important role in determining the thickness of the ionopause.

Cravens, T. E.↗
NASA NTRS2012

Large-scale Observations of a Subauroral Polarization Stream by Midlatitude SuperDARN Radars: Instantaneous Longitudinal Velocity Variations

We present simultaneous measurements of flow velocities inside a subauroral polarization stream (SAPS) made by six midlatitude high-frequency SuperDARN radars. The instantaneous observations cover three hours of universal time and six hours of magnetic local time (MLT). From velocity variations across the field-of-view of the radars we infer the local 2D flow direction at three different longitudes. We find that the local flow direction inside the SAPS channel is remarkably constant over the course of the event. The flow speed, however, shows significant temporal and spatial variations. After correcting for the radar look direction we are able to accurately determine the dependence of the SAPS velocity on magnetic local time. We find that the SAPS velocity variation with magnetic local time is best described by an exponential function. The average velocity at 00 MLT was 1.2 km/s and it decreased with a spatial e-folding scale of two hours of MLT toward the dawn sector. We speculate that the longitudinal distribution of pressure gradients in the ring current is responsible for this dependence and find these observations in good agreement with results from ring current models. Using TEC measurements we find that the high westward velocities of the SAPS are - as expected - located in a region of low TEC values, indicating low ionospheric conductivities.

Clausen, L. B. N.↗
DOE OSTI2024

Long-term Evolution of Relativistic Unmagnetized Collisionless Shocks

Abstract We study a relativistic collisionless electron–positron shock propagating into an unmagnetized ambient medium using 2D particle-in-cell simulations of unprecedented duration and size. The shock generates intermittent magnetic structures of increasingly larger size as the simulation progresses. Toward the end of our simulation, at around 26,000 plasma times, the magnetic coherence scale approaches λ ∼ 100 plasma skin depths, both ahead and behind the shock front. We anticipate a continued growth of λ beyond the time span of our simulation, as long as the shock accelerates particles to increasingly higher energies. The post-shock field is concentrated in localized patches, which maintain a local magnetic energy fraction ε B ∼ 0.1. Particles randomly sampling the downstream fields spend most of their time in low field regions ( ε B ≪ 0.1) but emit a large fraction of the synchrotron power in the localized patches with strong fields ( ε B ∼ 0.1). Our results have important implications for models of gamma-ray burst afterglows.

Astronomy & Astrophysics↗
NASA NTRS1998

User Directed Tools for Exploiting Expert Knowledge in an Immersive Segmentation and Visualization Environment

Volumetric data sets have become common in medicine and many sciences through technologies such as computed x-ray tomography (CT), magnetic resonance (MR), positron emission tomography (PET), confocal microscopy and 3D ultrasound. When presented with 2D images humans immediately and unconsciously begin a visual analysis of the scene. The viewer surveys the scene identifying significant landmarks and building an internal mental model of presented information. The identification of features is strongly influenced by the viewers expectations based upon their expert knowledge of what the image should contain. While not a conscious activity, the viewer makes a series of choices about how to interpret the scene. These choices occur in parallel with viewing the scene and effectively change the way the viewer sees the image. It is this interaction of viewing and choice which is the basis of many familiar visual illusions. This is especially important in the interpretation of medical images where it is the expert knowledge of the radiologist which interprets the image. For 3D data sets this interaction of view and choice is frustrated because choices must precede the visualization of the data set. It is not possible to visualize the data set with out making some initial choices which determine how the volume of data is presented to the eye. These choices include, view point orientation, region identification, color and opacity assignments. Further compounding the problem is the fact that these visualization choices are defined in terms of computer graphics as opposed to language of the experts knowledge. The long term goal of this project is to develop an environment where the user can interact with volumetric data sets using tools which promote the utilization of expert knowledge by incorporating visualization and choice into a tight computational loop. The tools will support activities involving the segmentation of structures, construction of surface meshes and local filtering of the data set. To conform to this environment tools should have several key attributes. First, they should be only rely on computations over a local neighborhood of the probe position. Second, they should operate iteratively over time converging towards a limit behavior. Third, they should adapt to user input modifying they operational parameters with time.

Senger, Steven O.↗
DOE OSTI2021

Two-dimensional multifunctional materials from endohedral fullerenes

A multifunctional two-dimensional (2D) material is theoretically predicted based on systematic ab initio calculations and model simulations for the honeycomb lattice of endohedral fullerene W@C 28 molecules. It has structural bistability, ferroelectricity, multiple magnetic phases, and excellent valley characters and can be easily functionalized by the proximity effect with magnetic isolators such as MnTiO 3 . Furthermore, we may also manipulate the valley Hall and spin transport properties by selectively switching a few W@C 28 molecules to the metastable phase. These conclusions contribute to integrating different functions in a single 2D material for technological innovations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

From vortex to bubble: Unraveling formation of merons and skyrmions in van der Waals ferromagnet $\textrm{Fe}_{5-\textrm{x}}\textrm{GeTe}_2$

Magnetic topology, such as merons and skyrmions, is important from the perspective of both fundamental physics and next-generation spintronic devices. We observe/demonstrate the coexistence of merons and skyrmions in the van der Waals ferromagnet Fe 5-x GeTe 2 . Merons remain stable across a wide temperature range, from 100 K to 290 K, whereas skyrmions are only present within a narrower range from 100 K to approximately 170 K. Our finding reveals that the formation of merons or skyrmions is governed by the local magnetocrystalline anisotropy. Furthermore, the spatial variations in local magnetic anisotropy are attributed to subtle fluctuations in Fe content.

2D materials↗
DOE OSTI2020

Auxetic two-dimensional transition metal selenides and halides

Abstract Auxetic two-dimensional (2D) materials provide a promising platform for biomedicine, sensors, and many other applications at the nanoscale. In this work, utilizing a hypothesis-based data-driven approache, we identify multiple materials with remarkable in-plane auxetic behavior in a family of buckled monolayer 2D materials. These materials are transition metal selenides and transition metal halides with the stoichiometry MX (M = V, Cr, Mn, Fe, Co, Cu, Zn, Ag, and X = Se, Cl, Br, I). First-principles calculations reveal that the desirable auxetic behavior of these 2D compounds originates from the interplay between the buckled 2D structure and the weak metal–metal interaction determined by their electronic structures. We observe that the Poisson’s ratio is sensitive to magnetic order and the amount of uniaxial stress applied. A transition from positive Poisson’s ratio (PPR) to negative Poisson’s ratio (NPR) for a subgroup of MX compounds under large uniaxial stress is predicted. The work provides a guideline for the future design of 2D auxetic materials at the nanoscale.

2d materials↗
DOE OSTI2022

Nonresonant particle acceleration in strong turbulence: Comparison to kinetic and MHD simulations

Collisionless, magnetized turbulence offers a promising framework for the generation of nonthermal high-energy particles in various astrophysical sites. Yet, the detailed mechanism that governs particle acceleration has remained subject to debate. By means of 2D and 3D particle-in-cell, as well as 3D (incompressible) magnetohydrodynamic (MHD) simulations, we test here a recent model of nonresonant particle acceleration in strongly magnetized turbulence, which ascribes the energization of particles to their continuous interaction with the random velocity flow of the turbulence, in the spirit of the original Fermi model. To do so, we compare, for a large number of particles that were tracked in the simulations, the predicted and the observed histories of particles momenta. The predicted history is that derived from the model, after extracting from the simulations, at each point along the particle trajectory, the three force terms that control acceleration: the acceleration of the field line velocity projected along the field line direction, its shear projected along the same direction, and its transverse compressive part. Overall, we find a clear correlation between the model predictions and the numerical experiments, indicating that this nonresonant model can successfully account for the bulk of particle energization through Fermi-type processes in strongly magnetized turbulence. Additionally we also observe that the parallel shear contribution tends to dominate the physics of energization in the particle-in-cell simulations, while in the magnetohydrodynamic incompressible simulation, both the parallel shear and the transverse compressive term provide about equal contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

The differential emission measure of nested hot and cool magnetic loops

The detailed thermal structure of the magnetized solar transition region, as measured by its differential emission measure (DEM(T)), is poorly known. Building on the fact that the solar surface is strongly magnetized and thereby structured, proposals have been made that envision a significant lower-temperature contribution to the energy balance from (ion) heat flux across an arcade of different temperature loops. In this paper, we describe a self-consistent 2D MHD simulation, which includes the full thermal effects of parallel stability and anisotropic conduction, of a nested-loop model of the thermal and magnetic structure of the transition region. We then demonstrate that the predicted DEM agrees with observations in the conceptually elusive T less than 10 exp 5 K regime.

Van Hoven, G.↗
DOE OSTI2022

Interfacial triferroicity in monolayer chromium dihalide

Couplings between different ferroics in two-dimensional (2D) materials, with atomic thickness and van der Waals surface, have been long sought but not yet realized. We show the first-principles evidence of unique triferroic couplings in recently synthesized CrI 2 monolayer. Its ferroelasticity with a low switching barrier stems from the Jahn-Teller effect. When coupled with the interaction of a substrate, a type of interfacial ferroelectricity with direction determined by the ferroelastic states can emerge which can be switched following the same low-barrier pathway of ferroelastic switching. The direction of its striped antiferromagnetism is also governed by its ferroelastic states, leading to a coupling of ferroelasticity, ferroelectricity, and magnetism. Such mechanism of multiferroic couplings, denoted as interfacial Jahn-Teller triferroicity, can be applied to other 2D materials such as CuC l2 and their Janus monolayers, enabling electrical manipulation of spintronics for efficient nonvolatile random-access memories.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Two-dimensional heavy fermions in the van der Waals metal CeSiI

Heavy-fermion metals are prototype systems for observing emergent quantum phases driven by electronic interactions. A long-standing aspiration is the dimensional reduction of these materials to exert control over their quantum phases, which remains a significant challenge because traditional intermetallic heavy-fermion compounds have three-dimensional atomic and electronic structures. Here we report comprehensive thermodynamic and spectroscopic evidence of an antiferromagnetically ordered heavy-fermion ground state in CeSiI, an intermetallic comprising two-dimensional (2D) metallic sheets held together by weak interlayer van der Waals (vdW) interactions. Owing to its vdW nature, CeSiI has a quasi-2D electronic structure, and we can control its physical dimension through exfoliation. The emergence of coherent hybridization of f and conduction electrons at low temperature is supported by the temperature evolution of angle-resolved photoemission and scanning tunnelling spectra near the Fermi level and by heat capacity measurements. Electrical transport measurements on few-layer fakes reveal heavy-fermion behaviour and magnetic order down to the ultra-thin regime. Importantly, our work establishes CeSiI and related materials as a unique platform for studying dimensionally confined heavy fermions in bulk crystals and employing 2D device fabrication techniques and vdW heterostructures to manipulate the interplay between Kondo screening, magnetic order and proximity effects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ferromagnetic resonance in single vertices and 2D lattices macro-dipoles of elongated nanoelements: measurements and simulations

We report broadband ferromagnetic resonance measurements of the in-plane magnetic field response of three- and four-fold symmetric vertices formed by non-contacting permalloy nano-ellipses together with extended lattices constructed from them. Complementing the experimental data with simulations, we are able to show that, as far as the most intense FMR responses are concerned, the spectra of vertices and lattices can largely be interpreted in terms of a superposition of the underlying hysteretic responses of the individual ellipses, as elemental building blocks of the system. Here, this property suggest that it is possible to understand the orientation of the individual magnetic dipole moments in a dipole network in terms of dynamic measurements alone, thereby offering a powerful tool to analyze the alignment statistics in frustrated systems that are exposed to various magnetic histories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface

The three-dimensional (3D) local atomic structures and crystal defects at the interfaces of heterostructures control their electronic, magnetic, optical, catalytic, and topological quantum properties but have thus far eluded any direct experimental determination. Here, we use atomic electron tomography to determine the 3D local atomic positions at the interface of a MoS 2 -WSe 2 heterojunction with picometer precision and correlate 3D atomic defects with localized vibrational properties at the epitaxial interface. We observe point defects, bond distortion, and atomic-scale ripples and measure the full 3D strain tensor at the heterointerface. By using the experimental 3D atomic coordinates as direct input to first-principles calculations, we reveal new phonon modes localized at the interface, which are corroborated by spatially resolved electron energy-loss spectroscopy. We expect that this work will pave the way for correlating structure-property relationships of a wide range of heterostructure interfaces at the single-atom level.

42 ENGINEERING↗
NASA NTRS1991

The expansion of polarization charge layers into magnetized vacuum - Theory and computer simulations

The formation and evolution of polarization charge layers on cylindrical plasma streams moving in vacuum are investigated using analytic theory and 2D electrostatic particle-in-cell computer simulations. It is shown that the behavior of the electron charge layer goes through three stages. An early time expansion is driven by electrostatic repulsion of electrons in the charge layer. At the intermediate stage, the simulations show that the electron-charge-layer expansion is halted by the positively charged plasma stream. Electrons close to the stream are pulled back to the stream and a second electron expansion follows in time. At the late stage, the expansion of the ion charge layer along the magnetic field lines accompanies the electron expansion to form an ambipolar expansion. It is found that the velocities of these electron-ion expansions greatly exceed the velocities of ambipolar expansions which are driven by plasma temperatures.

Galvez, Miguel↗