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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thickness-dependent spin bistable transitions in single-crystalline molecular 2D material

Abstract The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals bond. Here we report a new type of 2D material composed of discrete magnetic molecules, where anisotropic van-der-Waals interactions bond the molecules into a 2D packing. Through mechanical exfoliation, we can obtain single-crystalline molecular monolayers, which can be readily integrated into other 2D systems. Optical spectroscopy suggests the few-layered molecules preserve the temperature-induced spin-crossover switching observed in the bulk form but show a drastic increase in thermal hysteresis unique to these thin 2D molecule assemblies. The trapping of spin bistability with decreasing layer number can arise from domain wall dynamics in reduced dimensions. Our results establish molecular solids with strong anisotropy of intermolecular interactions as precursors to a new class of 2D materials, affording possibilities to control molecular functionalities through substrate and interlayer interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Manipulation of Dy-Mn coupling and ferrielectric phase diagram of DyMn{sub 2}O{sub 5}: The effect of Y substitution of Dy

DyMn{sub 2}O{sub 5} is an extraordinary example in the family of multiferroic manganites and it accommodates both the 4f and 3d magnetic ions with strong Dy-Mn (4f-3d) coupling. The electric polarization origin is believed to arise not only from the Mn spin interactions but also from the Dy-Mn coupling. Starting from proposed scenario on ferrielectricity in DyMn{sub 2}O{sub 5} where the exchange-strictions associated with the Mn{sup 3+}-Mn{sup 4+}-Mn{sup 3+} blocks and Dy{sup 3+}-Mn{sup 4+}-Dy{sup 3+} blocks generate the two ferroelectric sublattices, we perform a set of characterizations on the structure, magnetism, and electric polarization of Dy{sub 1-x}Y{sub x}Mn{sub 2}O{sub 5} in order to investigate the roles of Dy-Mn coupling in manipulating the ferrielectricity. It is revealed that the non-magnetic Y substitution of Dy suppresses gradually the Dy{sup 3+} spin ordering and the Dy-Mn coupling. Consequently, the ferroelectric sublattice generated by the exchange striction associated with the Dy{sup 3+}-Mn{sup 4+}-Dy{sup 3+} blocks is destabilized, but the ferroelectric sublattice generated by the exchange striction associated with the Mn{sup 3+}-Mn{sup 4+}-Mn{sup 3+} blocks remains less perturbed, enabling the ferrielectricity-ferroelectricity transitions with the Y substitution. A phenomenological ferrielectric domain model is suggested to explain the polarization reversal induced by the Y substitution. The present work presents a possible scenario of the multiferroic mechanism in not only DyMn{sub 2}O{sub 5} but probably also other RMn{sub 2}O{sub 5} members with strong 4f-3d coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Bragg coherent diffractive imaging of ferromagnetic nickel nanoparticles

We synthesized Ni nanoparticles with an atmospheric-thermal chemical vapor deposition method and investigated their lattice distortions and defects using Bragg coherent diffractive imaging. Because the strain can alter the magnetic properties of ferromagnetic materials, it is important to study the lattice distortion and structural imperfection. As a result of the Bragg coherent diffractive imaging, we found that the Ni nanocubes have a deformation-free zone in the middle. In addition, the defects such as dislocation and twin domain defects were detected in other Ni nanoparticles based on the Bragg diffraction images and patterns. The imaging of nanoparticles can contribute to a better understanding of their growth mechanisms and improve the design and synthesis of nanoparticles.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Propagation of radio frequency waves through turbulent plasmas

The practical and economic viability of tokamak fusion reactors depends, in a significant way, on the efficiency of radio frequency (RF) waves to deliver energy and momentum to the plasma in the core of the reactor. The RF electromagnetic waves, excited by antenna structures placed near the wall of a tokamak, have to propagate through the turbulent edge plasma along their path to the core of the fusion device. In present day experiments, the radial width of the edge region and scrape-off layer is of the order of a few centimeters. In ITER, and in future fusion reactors, this width will be of the order of tens of centimeters. Any effects on RF waves due to plasma turbulence have to be properly understood in order to optimize the delivery of RF energy and momentum into the core. This paper is on a multi-pronged, theoretical and computational, approach that is being pursued to quantify the effect of edge plasma turbulence on the propagation of RF waves. The theoretical and analytical models are based on solutions of the Faraday-Ampere equation in a magnetized plasma and on the Kirchhoff tangent plane approximation. An effective medium approach has been developed so as to approximate the permittivity of a turbulent plasma by analytical expressions. The computations are being carried out with a newly developed code ScaRF that is based on the finite difference finite domain technique for solving Maxwell's equations. The plasma permittivity can be assigned as desired. The code is being used to validate the analytical and theoretical models and to evaluate their limitations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold

Highlights: • The archaea-specific ribosomal protein L46a has no homology to known proteins. • Three dimensional structure and backbone dynamics of L46a were determined by NMR. • The structure of L46a represents a novel protein fold. • A potential rRNA-binding surface on L46a was identified. • The potential position of L46a on the ribosome was proposed. - Abstract: Three archaea-specific ribosomal proteins recently identified show no sequence homology with other known proteins. Here we determined the structure of L46a, the most conserved one among the three proteins, from Sulfolobus solfataricus P2 using NMR spectroscopy. The structure presents a twisted β-sheet formed by the N-terminal part and two helices at the C-terminus. The L46a structure has a positively charged surface which is conserved in the L46a protein family and is the potential rRNA-binding site. Searching homologous structures in Protein Data Bank revealed that the structure of L46a represents a novel protein fold. The backbone dynamics identified by NMR relaxation experiments reveal significant flexibility at the rRNA binding surface. The potential position of L46a on the ribosome was proposed by fitting the structure into a previous electron microscopy map of the ribosomal 50S subunit, which indicated that L46a contacts to domain I of 23S rRNA near a multifunctional ribosomal protein L7ae.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Thermodynamic contribution of backbone conformational entropy in the binding between SH3 domain and proline-rich motif

Biological functions of intrinsically disordered proteins (IDPs), and proteins containing intrinsically disordered regions (IDRs) are often mediated by short linear motifs, like proline-rich motifs (PRMs). Upon binding to their target proteins, IDPs undergo a disorder-to-order transition which is accompanied by a large conformational entropy penalty. Hence, the molecular mechanisms underlying control of conformational entropy are critical for understanding the binding affinity and selectivity of IDPs-mediated protein-protein interactions (PPIs). Here, we investigated the backbone conformational entropy change accompanied by binding of the N-terminal SH3 domain (nSH3) of CrkII and PRM derived from guanine nucleotide exchange factor 1 (C3G). In particular, we focused on the estimation of conformational entropy change of disordered PRM upon binding to the nSH3 domain. Quantitative characterization of conformational dynamics of disordered peptides like PRMs is limited. Hence, we combined various methods, including NMR model-free analysis, δ2D, DynaMine, and structure-based calculation of entropy loss. This study demonstrates that the contribution of backbone conformational entropy change is significant in the PPIs mediated by IDPs/IDRs. - Highlights: • Conformational entropy plays critical roles in the regulation of protein-protein interactions. • Conformational entropy change upon binding of disordered ligands to a protein is not well understood. • We estimated backbone conformational entropy change upon complexation of SH3 domain and PRM. • Energetic contribution of backbone conformational entropy is significant in SH3-PRM interaction.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Tokamak plasma high field side response to an n = 3 magnetic perturbation: a comparison of 3D equilibrium solutions from seven different codes

In comparing equilibrium solutions for a DIII-D shot that is amenable to analysis by both stellarator and tokamak three-dimensional (3D) equilibrium codes, a significant disagreement has been seen between solutions of the VMEC stellarator equilibrium code and solutions of tokamak perturbative 3D equilibrium codes. In this research, the source of that disagreement has been investigated, and that investigation has led to new insights into the domain of validity of the different equilibrium calculations, and to a finding that the manner in which localized screening currents at low order rational surfaces are handled can affect global properties of the equilibrium solution. The perturbative treatment has been found to break down at surprisingly small perturbation amplitudes due to overlap of the calculated perturbed flux surfaces, and that treatment is not valid in the pedestal region of the DIII-D shot studied. The perturbative treatment is valid, however, further into the interior of the plasma, and flux surface overlap does not account for the disagreement investigated here. Calculated equilibrium solutions for simple model cases and comparison of the 3D equilibrium solutions with those of other codes indicate that the disagreement arises from a difference in handling of localized currents at low order rational surfaces, with such currents being absent in VMEC and present in the perturbative codes. The significant differences in the global equilibrium solutions associated with the presence or absence of very localized screening currents at rational surfaces suggests that it may be possible to extract information about localized currents from appropriate measurements of global equilibrium plasma properties. Therefore, that would require improved diagnostic capability on the high field side of the tokamak plasma, a region difficult to access with diagnostics.

3-DIMENSIONAL MAGNETOHYDRODYNAMIC EQUILIBRIA↗
DOE OSTI2013

FERMI LAT PULSED DETECTION OF PSR J0737-3039A IN THE DOUBLE PULSAR SYSTEM

We report the Fermi Large Area Telescope discovery of {gamma}-ray pulsations from the 22.7 ms pulsar A in the double pulsar system J0737-3039A/B. This is the first mildly recycled millisecond pulsar (MSP) detected in the GeV domain. The 2.7 s companion object PSR J0737-3039B is not detected in {gamma} rays. PSR J0737-3039A is a faint {gamma}-ray emitter, so that its spectral properties are only weakly constrained; however, its measured efficiency is typical of other MSPs. The two peaks of the {gamma}-ray light curve are separated by roughly half a rotation and are well offset from the radio and X-ray emission, suggesting that the GeV radiation originates in a distinct part of the magnetosphere from the other types of emission. From the modeling of the radio and the {gamma}-ray emission profiles and the analysis of radio polarization data, we constrain the magnetic inclination {alpha} and the viewing angle {zeta} to be close to 90 Degree-Sign , which is consistent with independent studies of the radio emission from PSR J0737-3039A. A small misalignment angle between the pulsar's spin axis and the system's orbital axis is therefore favored, supporting the hypothesis that pulsar B was formed in a nearly symmetric supernova explosion as has been discussed in the literature already.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Wigner polarons probe the dynamics of a Wigner crystal in a monolayer semiconductor

Wigner crystals—lattices made purely of electrons—provide a platform for studying correlation-driven quantum phase transitions. Despite extensive research, accessing the internal dynamics of Wigner crystals has remained challenging, with most experiments probing only static order or collective motion. Here we demonstrate optical probing and the manipulation of zero-field Wigner crystals and elucidate their static and dynamic properties in the frequency domain. We observe optical resonances that we identify as Wigner polarons—quasiparticles formed when the electron lattice is locally distorted by exciton–Wigner crystal coupling. We further achieve all-optical control of spins in the Wigner crystal, thereby directly probing valley-dependent Wigner polaron scattering well above the magnetic ordering temperature and in the absence of any external magnetic field. Lastly, we show optical melting of the Wigner crystal and observe different responses of the umklapp (static) and Wigner polaron (dynamic) resonances to optical excitation. Our results provide an avenue for understanding electron dynamics and achieving ultrafast optical control of interaction-driven quantum phase transitions in strongly correlated electron systems.

2D materials↗
DOE OSTI2020

Long-range and local crystal structures of the S r 1 - x C a x Ru O 3 perovskites

Here, the crystal structures of the Sr 1–x Ca x RuO 3 (0 ≤ x ≤ 1) perovskites are investigated using both long-range and local structural probes. High-resolution synchrotron powder x-ray-diffraction characterization at ambient temperature shows that the materials have orthorhombic long-range crystal structures to high precision, and we support previous work showing that Ca 2+ substitution for Sr 2+ primarily changes the tilting of rigid corner-sharing RuO 6 octahedra at their shared oxygen vertices. X-ray pair-distribution function analysis for SrRuO 3 , CaRuO 3 , and one intermediate composition show them to display monoclinic symmetry at the local level; when averaged over different domain orientations this yields orthorhombic symmetry in the long range, and no long-range or local phase transitions are observed between 80 and 300 K for materials with intermediate compositions. High-resolution transmission electron microscopy shows that the Sr/Ca distribution is random at the nanoscale. Lastly, we plot magnetic characteristics such as the ferromagnetic T c , Curie-Weiss theta, effective moment, and ambient temperature susceptibility vs the octahedral tilt and unit-cell volume.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A system to detect cerebral aneurysms in multimodality angiographic data sets

Purpose: The early detection of cerebral aneurysms plays a major role in preventing subarachnoid hemorrhage. The authors present a system to automatically detect cerebral aneurysms in multimodal 3D angiographic data sets. The authors’ system is parametrizable for contrast-enhanced magnetic resonance angiography (CE-MRA), time-of-flight magnetic resonance angiography (TOF-MRA), and computed tomography angiography (CTA). Methods: Initial volumes of interest are found by applying a multiscale sphere-enhancing filter. Several features are combined in a linear discriminant function (LDF) to distinguish between true aneurysms and false positives. The features include shape information, spatial information, and probability information. The LDF can either be parametrized by domain experts or automatically by training. Vessel segmentation is avoided as it could heavily influence the detection algorithm. Results: The authors tested their method with 151 clinical angiographic data sets containing 112 aneurysms. The authors reach a sensitivity of 95% with CE-MRA data sets at an average false positive rate per data set (FP{sub DS}) of 8.2. For TOF-MRA, we achieve 95% sensitivity at 11.3 FP{sub DS}. For CTA, we reach a sensitivity of 95% at 22.8 FP{sub DS}. For all modalities, the expert parametrization led to similar or better results than the trained parametrization eliminating the need for training. 93% of aneurysms that were smaller than 5 mm were found. The authors also showed that their algorithm is capable of detecting aneurysms that were previously overlooked by radiologists. Conclusions: The authors present an automatic system to detect cerebral aneurysms in multimodal angiographic data sets. The system proved as a suitable computer-aided detection tool to help radiologists find cerebral aneurysms.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Multimodal super-resolution: discovering hidden physics and its application to fusion plasmas

Understanding complex physical systems often requires integrating data from multiple diagnostics, each with limited resolution or coverage. We present a machine learning framework that reconstructs synthetic high-temporal-resolution data for a target diagnostic using information from other diagnostics, without direct target measurements during the inference. This multimodal super-resolution technique improves diagnostic robustness and enables monitoring even in case of measurement failures or degradation. Applied to fusion plasmas, our method targets edge-localized modes (ELMs), which can damage plasma-facing materials. By reconstructing super-resolution Thomson Scattering data from complementary diagnostics, we uncover fine-scale plasma dynamics and validate the role of resonant magnetic perturbations (RMPs) in ELM suppression through magnetic island formation. The approach provides new observation supporting the plasma profile flattening due to these islands. Our results demonstrate the framework’s ability to generate high-fidelity synthetic diagnostics, offering a powerful tool for ELM control development in future reactors like ITER. The approach is broadly transferable to other domains facing sparse, incomplete, or degraded diagnostic data, opening new avenues for discovery.

Jalalvand, Azarakhsh [Princeton Univ., NJ (United ↗
DOE OSTI2016

Deterministic switching of a magnetoelastic single-domain nano-ellipse using bending

In this paper, a fully coupled analytical model between elastodynamics with micromagnetics is used to study the switching energies using voltage induced mechanical bending of a magnetoelastic bit. The bit consists of a single domain magnetoelastic nano-ellipse deposited on a thin film piezoelectric thin film (500 nm) attached to a thick substrate (0.5 mm) with patterned electrodes underneath the nano-dot. A voltage applied to the electrodes produces out of plane deformation with bending moments induced in the magnetoelastic bit modifying the magnetic anisotropy. To minimize the energy, two design stages are used. In the first stage, the geometry and bias field (H{sub b}) of the bit are optimized to minimize the strain energy required to rotate between two stable states. In the second stage, the bit's geometry is fixed, and the electrode position and control mechanism is optimized. The electrical energy input is about 200 (aJ) which is approximately two orders of magnitude lower than spin transfer torque approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Eliminating beam-induced depolarizing effects in the hydrogen jet target for high-precision proton beam polarimetry at the electron-ion collider

We analyze beam-induced depolarizing effects in the hydrogen jet target (HJET) at the relativistic heavy ion collider (RHIC), which has been used for absolute hadron beam polarimetry and shall be employed at the electron-ion collider (EIC). The EIC’s higher bunch repetition frequencies and shorter bunch durations shift beam harmonics to frequencies that can resonantly drive hyperfine transitions in hydrogen, threatening to depolarize the target atoms. Using frequency-domain analysis of beam harmonics and hyperfine transition frequencies, we establish a photon emission threshold above which beam-induced fields are too weak to cause significant depolarization. For EIC injection (23.5 GeV) and flattop (275 GeV), beam-induced depolarization through the bunch structure renders operation at the current RHIC magnetic guide field at the target (𝐵 0 =120⁢ mT) untenable. Increasing the magnetic guide field at the target to 𝐵 0 ≈ 400⁢ mT moves all hyperfine transition frequencies to at least 3 times the cutoff frequency, ensuring reliable absolute beam polarimetry with the required 1% precision at the EIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Unifying femtosecond and picosecond single-pulse magnetic switching in Gd-Fe-Co

Many questions are still open regarding the physical mechanisms behind the magnetic switching in Gd-Fe-Co alloys by single optical pulses. Phenomenological models suggest a femtosecond scale exchange relaxation between sublattice magnetization as the driving mechanism for switching. The recent observation of thermally induced switching in Gd-Fe-Co by using both several picosecond optical laser pulse as well as electric current pulses has questioned this previous understanding. This has raised the question of whether or not the same switching mechanics are acting at the femtosecond and picosecond scales. In this work, we aim at filling this gap in the understanding of the switching mechanisms behind thermal single-pulse switching. To that end, we have studied experimentally thermal single-pulse switching in Gd-Fe-Co alloys, for a wide range of system parameters, such as composition, laser power, and pulse duration. We provide a quantitative description of the switching dynamics using atomistic spin dynamics methods with excellent agreement between the model and our experiments across a wide range of parameters and timescales, ranging from femtoseconds to picoseconds. Furthermore, we find distinct element-specific damping parameters as a key ingredient for switching with long picosecond pulses and argue that switching with pulse durations as long as 15 ps is possible due to a low damping constant of Gd. Our findings can be easily extended to speed up dynamics in other contexts where ferrimagnetic Gd-Fe-Co alloys have been already demonstrated to show fast and energy-efficient processes, e.g., domain-wall motion in a track and spin-orbit torque switching in spintronics devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

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

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

36 MATERIALS SCIENCE↗
DOE OSTI2021

Boosting the signal-to-noise of low-field MRI with deep learning image reconstruction

Recent years have seen a resurgence of interest in inexpensive low magnetic field (< 0.3 T) MRI systems mainly due to advances in magnet, coil and gradient set designs. Most of these advances have focused on improving hardware and signal acquisition strategies, and far less on the use of advanced image reconstruction methods to improve attainable image quality at low field. We describe here the use of our end-to-end deep neural network approach (AUTOMAP) to improve the image quality of highly noise-corrupted low-field MRI data. We compare the performance of this approach to two additional state-of-the-art denoising pipelines. We find that AUTOMAP improves image reconstruction of data acquired on two very different low-field MRI systems: human brain data acquired at 6.5 mT, and plant root data acquired at 47 mT, demonstrating SNR gains above Fourier reconstruction by factors of 1.5- to 4.5-fold, and 3-fold, respectively. In these applications, AUTOMAP outperformed two different contemporary image-based denoising algorithms, and suppressed noise-like spike artifacts in the reconstructed images. The impact of domain-specific training corpora on the reconstruction performance is discussed. The AUTOMAP approach to image reconstruction will enable significant image quality improvements at low-field, especially in highly noise-corrupted environments.

42 ENGINEERING↗
DOE OSTI2018

Ice rule fragility via topological charge transfer in artificial colloidal ice

Artificial particle ices are model systems of constrained, interacting particles. They have been introduced theoretically to study ice-manifolds emergent from frustration, along with domain wall and grain boundary dynamics, doping, pinning-depinning, controlled transport of topological defects, avalanches, and memory effects. Recently such particle-based ices have been experimentally realized with vortices in nano-patterned superconductors or gravitationally trapped colloids. Here we demonstrate that, although these ices are generally considered equivalent to magnetic spin ices, they can access a novel spectrum of phenomenologies that are inaccessible to the latter. With experiments, theory and simulations we demonstrate that in mixed coordination geometries, entropy-driven negative monopoles spontaneously appear at a density determined by the vertex-mixture ratio. Unlike its spin-based analogue, the colloidal system displays a “fragile ice” manifold, where local energetics oppose the ice rule, which is instead enforced through conservation of the global topological charge. The fragile colloidal ice, stabilized by topology, can be spontaneously broken by topological charge transfer.

36 MATERIALS SCIENCE↗