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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Rational Design of Superconducting Metal Hydrides via Chemical Pressure Tuning**

Abstract The high critical superconducting temperatures ( T c s) of metal hydride phases with clathrate‐like hydrogen networks have generated great interest. Herein, we employ the Density Functional Theory‐Chemical Pressure (DFT‐CP) method to explain why certain electropositive elements adopt these structure types, whereas others distort the hydrogenic lattice, thereby decreasing the T c . The progressive opening of the H 24 polyhedra in MH 6 phases is shown to arise from internal pressures exerted by large metal atoms, some of which may favor an even higher hydrogen content that loosens the metal atom coordination environments. The stability of the LaH 10 and LaBH 8 phases is tied to stuffing of their shared hydrogen network with either additional hydrogen or boron atoms. The predictive capabilities of DFT‐CP are finally applied to the Y−X−H system to identify possible ternary additions yielding a superconducting phase stable to low pressures.

Hilleke, Katerina P.↗
DOE OSTI2016

TU-H-BRA-04: A Novel Superconducting Magnet Design for Optimized Patient Access and Minimal SSD for Use in a Linac-MR Hybrid

Purpose: A prototype rotating hybrid MR imaging system and linac has been developed to allow for simultaneous imaging and radiation delivery parallel to B{sub 0}. However, the design of a compact magnet capable of rotation in a small vault with sufficient patient access and a typical clinical source-to-surface distance (SSD) is challenging. This work presents a novel superconducting magnet design that allows for a reduced SSD and ample patient access by moving the superconducting coils to the side of the yoke. The yoke and pole-plate structures are shaped to direct the magnetic flux appropriately. Methods: The surface of the pole plate for the magnet assembly is optimized. The magnetic field calculations required in this work are performed with the 3D finite element method software package Opera-3D. Each tentative design strategy is virtually modeled in this software package and externally controlled by MATLAB, with its key geometries defined as variables. The particle swarm optimization algorithm is used to optimize the variables subject to the minimization of a cost function. At each iteration, Opera-3D will solve the magnetic field solution over a field-of-view suitable for MR imaging and the degree of field uniformity will be assessed to calculate the value of the cost function associated with that iteration. Results: An optimized magnet assembly that generates a homogenous 0.2T magnetic field over an ellipsoid with large axis of 30 cm and small axes of 20 cm is obtained. Conclusion: The distinct features of this model are the minimal distance between the yoke’s top and the isocentre and the improved patient access. On the other hand, having homogeneity over an ellipsoid give us a larger field-of-view, essential for geometric accuracy of the MRI system. The increase of B{sub 0} from 0.2T in the present model to 0.5T is the subject of future work. Funding Sources: Alberta Innovates - Health Solutions (AIHS)| Disclosure and Conflict of Interest: B. Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta biplanar linac MR for commercialization).

60 APPLIED LIFE SCIENCES↗
NASA NTRS1992

An acetate precursor process for BSCCO (2223) thin films and coprecipitated powders

Since the discovery of high temperature superconducting oxides much attention has been paid to finding better and useful ways to take advantage of the special properties exhibited by these materials. One such process is the development of thin films for engineering applications. Another such process is the coprecipitation route to producing superconducting powders. An acetate precursor process for use in thin film fabrication and a chemical coprecipitation route to Bismuth based superconducting materials has been developed. Data obtained from the thin film process were inconclusive to date and require more study. The chemical coprecipitation method of producing bulk material is a viable method, and is preferred over the previously used solid state route. This method of powder production appears to be an excellent route to producing thin section tape cast material and screen printed devices, as it requires less calcines than the oxide route to produce quality powders.

Haertling, Gene H.↗
DOE OSTI2015

Generation of higher odd harmonics in a defective photonic crystal

A photonic crystal (AB){sup 2}(DB)(AB){sup 2} with high refractive index medium as silicon and low refractive medium as air is considered. Using the transfer matrix method, the transmission properties as a function of wavelength with photonic band gaps has been obtained. We are able to demonstrate the generation of third, fifth, seventh and ninth harmonics in the present work. We show that if the air medium is removed in the defect, the defect modes are generated but not harmonics. It can be designed to have a frequency conversion, and have a potential for becoming the basis for the next generation of optical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Preparation, temperature dependent structural, molecular dynamics simulations studies and electrochemical properties of LiFePO{sub 4}

Highlights: • LiFePO{sub 4} compound was prepared by carbothermal reduction method. • In-situ XRD studies were carried out on LiFePO{sub 4} at various temperatures. • Dedicated imperial potentials used to explain the variation of lattice constants. • It exhibited reversible capacity of 140 (±5) mAh g{sup −1}, stable up to 400 cycles. - Abstract: LiFePO{sub 4} was prepared using carbothermal reduction method. In-situ temperature dependent structural studies were carried using X-ray diffraction. Molecular dynamics simulations were conducted for the LiFePO{sub 4} using empirical potentials developed using bond valence approach to investigate the structural variations. Electrochemical behaviour of LiFePO{sub 4} was evaluated using cyclic voltammetry and galvanostatic cycling studies at room temperature. Charge–discharge cycling studies showed a reversible capacities 140 (±5) mAh g{sup −1} at the end of 50th cycle and these capacity values were stable up to 400 cycles and almost nil capacity fade between 50 and 400 cycles, showing excellent capacity retention, low capacity fading. The cyclic voltammetry studies showed a main cathodic and anodic redox peaks at 3.34 and 3.5 V vs. Li, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

AC Susceptibility and Superconducting Properties of Graphene Added YBa{sub 2}Cu{sub 3}O{sub 7−d}

The effect of graphene (G) addition on YBa{sub 2}Cu{sub 3}O{sub 7−δ}(G){sub x} (x = 0 − 0.03 wt%) has been studied using the X-ray diffraction method, scanning electron microscopy, electrical resistance versus temperature, transport critical current density J{sub c}, and AC susceptibility measurements. XRD patterns showed single-phase YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO) for all samples. SEM micrographs showed filling of the voids between YBa{sub 2}Cu{sub 3}O{sub 7−δ} grains as graphene was added. The temperature-dependent electrical resistance curves showed metallic normal state behavior and onset transition temperature T{sub conset} between 90 and 92 K for all samples. AC susceptibility measurement showed transition temperature T{sub cχ{sup ′}} between 90 and 93 K. T{sub cχ{sup ′}} was maintained or improved slightly as graphene was added. The x = 0.001 wt% showed the highest J{sub c}, i.e., 2750 A cm{sup −2} at 77 K and 5570 mA cm{sup −2} at 30 K which was 13 and 40 times higher than that of the non-added YBCO, respectively. The peak temperature T{sub p} of the imaginary part of the susceptibility χ{sup ″} was around 78–82 K for all samples indicating grain coupling was not weakened as graphene was added.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Modeling of the structure of ribosomal protein L1 from the archaeon Haloarcula marismortui

The halophilic archaeon Haloarcula marismortui proliferates in the Dead Sea at extremely high salt concentrations (higher than 3 M). This is the only archaeon, for which the crystal structure of the ribosomal 50S subunit was determined. However, the structure of the functionally important side protuberance containing the abnormally negatively charged protein L1 (HmaL1) was not visualized. Attempts to crystallize HmaL1 in the isolated state or as its complex with RNA using normal salt concentrations (≤500 mM) failed. A theoretical model of HmaL1 was built based on the structural data for homologs of the protein L1 from other organisms, and this model was refined by molecular dynamics methods. Analysis of this model showed that the protein HmaL1 can undergo aggregation due to the presence of a cluster of positive charges unique for proteins L1. This cluster is located at the RNA–protein interface, which interferes with the crystallization of HmaL1 and the binding of the latter to RNA.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Signature of a pair of Majorana zero modes in superconducting gold surface states

Under certain conditions, a fermion in a superconductor can separate in space into two parts known as Majorana zero modes, which are immune to decoherence from local noise sources and are attractive building blocks for quantum computers. Promising experimental progress has been made to demonstrate Majorana zero modes in materials with strong spin–orbit coupling proximity coupled to superconductors. Here we report signatures of Majorana zero modes in a material platform utilizing the surface states of gold. Using scanning tunneling microscope to probe EuS islands grown on top of gold nanowires, we observe two well-separated zero-bias tunneling conductance peaks aligned along the direction of the applied magnetic field, as expected for a pair of Majorana zero modes. This platform has the advantage of having a robust energy scale and the possibility of realizing complex designs using lithographic methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Block orbital-selective Mott insulators: A spin excitation analysis

We present a comprehensive study of the spin excitations—as measured by the dynamical spin structure factor S(q,ω)—of the so-called block-magnetic state of low-dimensional orbital-selective Mott insulators. We realize this state via both a multi-orbital Hubbard model and a generalized Kondo-Heisenberg Hamiltonian. Due to various competing energy scales present in the models, the system develops periodic ferromagnetic islands of various shapes and sizes, which are antiferromagnetically coupled. The 2×2 particular case was already found experimentally in the ladder material BaFe2Se3 that becomes superconducting under pressure. Here we discuss the electronic density as well as Hubbard and Hund coupling dependence of S(q,ω) using density matrix renormalization group method. Several interesting features were identified: (1) An acoustic (dispersive spin-wave) mode develops. (2) The spin-wave bandwidth establishes a new energy scale that is strongly dependent on the size of the magnetic island and becomes abnormally small for large clusters. (3) Optical (dispersionless spin excitation) modes are present for all block states studied here. In addition, a variety of phenomenological spin Hamiltonians have been investigated but none matches entirely our results that were obtained primarily at intermediate Hubbard U strengths. Our comprehensive analysis provides theoretical guidance and motivation to crystal growers to search for appropriate candidate materials to realize the block states, and to neutron scattering experimentalists to confirm the exotic dynamical magnetic properties unveiled here, with a rich mixture of acoustic and optical features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Refinement and Modeling of a Blackbody-Based Calibration Method in the InfraBREAD Detector

The Broadband Reflector Experiment for Axion Detection (BREAD) is an ongoing collaboration searching for the conversion of yet undiscovered axion-like dark matter particles to photons in the presence of a magnetic field. InfraBREAD, an experiment of BREAD, uses a superconducting nanowire single photon detector (SNSPD), a high-efficiency and low-noise device, to specifically detect infrared-range photons produced by $\mathcal{O}$(eV) axion-like particles. The unique BREAD reflector setup allows for the focusing of converted signal photons to a 1mm $\times$ 1mm SNSPD. However, when the detector is cooled to cryogenic temperatures during operation, uneven thermal contraction of reflector components may lead to a small shift in the location of the focal spot. A novel calibration method using blackbody radiation is proposed to locate the true focal spot of the detector \textit{in situ}. Through ray tracing simulations done in FRED Optical Engineering Software, this method is demonstrated to locate the focus to within $\SI{50}{\micro\metre}$ in the $z$ dimension.

Rao, Shardul↗
DOE OSTI2020

One-dimensional antilocalization of electrons from spin disorder probed by nonlinear Hall effect

In recent years, nonreciprocal transport measurement has emerged as a probe of spin orbit interaction, spin texture, superconductivity, and other fundamental properties of materials. Here, we study the nonlinear Hall effect (NLHE) in Bi 2 Se 3 /CoFeB heterostructures measured by second harmonic voltage method. Magneto-optical Kerr effect measurements demonstrate the origin of the NLHE to be the asymmetric magnon scattering mechanism. Moreover, a linear relation between the nonlinear Hall resistance and the electron phase coherence length of Bi 2 Se 3 is observed between 5 and 50 K. In this work, we propose a phenomenological model that explains the enhancement of the NLHE below 50 K as a result of one-dimensional antilocalization of electrons from spin disorder, enabled by spin-momentum locking and conservation of angular momentum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Investigation of defect nucleation in titanium under mechanical loading

The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Group III Acceptors with Shallow and Deep Levels in Silicon Carbide: ESR and ENDOR Studies

Results of investigations of Group III acceptors (B, Al, and Ga) in crystals of silicon carbide using the most informative electron spin resonance and electron nuclear double resonance methods are presented. Structural models of the acceptors with shallow and deep levels are considered. In addition to the data obtained earlier, studies using high-frequency magnetic resonance were obtained, which allowed revealing orthorhombic deviations from the axial symmetry for the deep acceptors; theoretical analysis explains experimentally found shifts of g factors for the deep acceptors arising due to the orthorhombic deviations, which appear probably due to the Jahn–Teller effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Vibrational spectroscopic and structural investigations on fullerene: A DFT approach

The molecular structure of fullerene (C{sub 60}) molecule was optimized by the DFT/B3LYP method with 6-31G and 6-31G(d,p) basis sets using Gaussian 09 program. The vibrational frequencies were calculated for the optimized molecular structure of the molecule. The calculated vibrational frequencies confirm that the molecular structure of the molecule was located at the minimum energy potential energy surface. The calculated vibrational frequencies were assigned on the basis of functional group analysis and also confirmed using the GaussView 05 software. The frontier molecular orbitals analysis was carried out. The FMOs related molecular properties were predicted. The higher ionization potential, higher electron affinity, higher softness, lower band gap energy and lower hardness values were obtained, which confirm that the fullerene molecule has a higher molecular reactivity. The Mulliken atomic charge distribution of the molecule was also calculated. Hence, these results play an important role due to its potential applications as drug delivery devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Quantum Memristors with Superconducting Circuits

Memristors are resistive elements retaining information of their past dynamics. They have garnered substantial interest due to their potential for representing a paradigm change in electronics, information processing and unconventional computing. Given the advent of quantum technologies, a design for a quantum memristor with superconducting circuits may be envisaged. Along these lines, we introduce such a quantum device whose memristive behavior arises from quasiparticle-induced tunneling when supercurrents are cancelled. Here in this paper, for realistic parameters, we find that the relevant hysteretic behavior may be observed using current state-of-the-art measurements of the phase-driven tunneling current. Finally, we develop suitable methods to quantify memory retention in the system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Quench Simulation and Validation for EIC Direct Wind Magnets

The Electron-Ion Collider (EIC), a new facility to be built in the United States at the U.S. Department of Energy’s Brookhaven National Laboratory in collaboration with Thomas Jefferson National Accelerator Facility-will be the only new particle collider in the U.S. for the next 10∼20 years. The EIC project will investigate the origin of mass and building blocks of the Universe. It will accelerate and collide beams of electrons with protons and nuclei. Unlike any collider that has ever existed before, both EIC’s particle beams will be polarized, meaning their spins will be aligned in a controlled way to allow for precision measurements. Different types of new superconducting magnets will be required near the interaction region (IR) of EIC. A 6-around-1 NbTi cable will be used for some of those new superconducting magnets. Given the relatively smaller conductors used for those direct wind magnets, the overall engineering current density will be 2–3 times higher in comparison to traditional collared superconducting magnets in other accelerator magnets. This is technically challenging and potentially represents high risks for quench protection. Here, in this paper we use different tools and methods for quench simulation for several EIC direct wind magnets. We also present results of a sensitivity study, exploring different material properties and Jc curves. This paper also discusses and validates the quench simulation results with measurement results from a small-scale serpentine magnet tested at BNL in October 2024.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

High resolution neutron Larmor diffraction using superconducting magnetic Wollaston prisms

The neutron Larmor diffraction technique has been implemented using superconducting magnetic Wollaston prisms in both single-arm and double-arm configurations. Successful measurements of the coefficient of thermal expansion of a single-crystal copper sample demonstrates that the method works as expected. Our experiment involves a new method of tuning by varying the magnetic field configurations in the device and the tuning results agree well with previous measurements. The difference between single-arm and double-arm configurations has been investigated experimentally. Here, we conclude that this measurement benchmarks the applications of magnetic Wollaston prisms in Larmor diffraction and shows in principle that the setup can be used for inelastic phonon line-width measurements. The achievable resolution for Larmor diffraction is comparable to that using Neutron Resonance Spin Echo (NRSE) coils. Furthermore, the use of superconducting materials in the prisms allows high neutron polarization and transmission efficiency to be achieved.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗