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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Special Issue: To Commemorate the Legacy of Malcolm J. Andrews—Scientist, Educator, and Leader

This special issue celebrates the scientific legacy of Dr. Malcolm J. Andrews, former Editor of the ASME Journal of Fluids Engineering (2010–2018). Malcolm devoted his career to the development and applications of computational, experimental, and analytical tools to investigate and solve diverse, complex fluid dynamics, and heat transfer problems. Malcolm’s most notable research accomplishments include: (i) contributions to innovative experiments, simulations, and theory to understand buoyancydriven turbulent mixing due to Rayleigh–Taylor instability; (ii) development of the multiphase particle-in-cell method for understanding fragmentation in spray jets, coal-water slurry, and other dense particulate flows; (iii) mixing in nano- and biomaterials in applications ranging from protein glues to carbon nanotube composites; (iv) determining dispersion in proteins to improve therapeutic drug delivery via micro-encapsulation; (v) innovative methods for storing information using nanopinned dipole magnetic vortices in superconducting materials; and (vi) modeling and design modifications for shell-and-tube heat exchangers, as well as heat transfer in rotating systems such as turbine blades. The results of his research have been published in a long series of trend-setting journal and conference papers, book chapters, and patents.

42 ENGINEERING↗
DOE OSTI2019

Investigation on Structural, Electronic, and Thermoelectric Properties of Half-Heusler Compounds TiXSb (X = Si, Ge) under Pressure Based on Density Functional Theory (DFT)

Based on density functional theory, structural, electronic, and thermoelectric properties of TiXSb (X = Si, Ge) at pressures of 0, 5, 10, and 15 GPa have been investigated. Structural properties at 0 GPa are in accord with other theoretical and experimental works. In electronic properties at 0 GPa, Ti-d{sup 2} orbitals have main contributions near the Fermi energy in valence band and in conduction band. According to our calculations, as shown in diagrams of electronic density of states at different pressures, peaks in the valence band move to more negative energies when the pressure increases. However, in the conduction band, they move to more positive energies. This occurs as a result of decreasing stability of the system due to increase in pressure. In this study, we also calculated the thermoelectric properties such as Seebeck coefficient, thermal conductivity divided by relaxation time, electrical conductivity divided by relaxation time, and figure of merit, at pressures of 0, 5, 10, and 15 GPa, in the temperature range of 100–900 K (contribution of phononic thermal conductivity was ignored as low).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Development of in situ thickness sensor for vapor diffused Nb3Sn films

Fermilab is one of the leaders in development of vapor diffused Nb3Sn films inside niobium cavities. This material has a higher critical temperature (Tc) than niobium, enabling cavity operation at 4.2 K. This higher operational temperature significantly reduces the infrastructure required for cooling compared to 2 K systems, making superconducting radio-frequency (SRF) technology more accessible. Current deposition methods have relied on iterative testing to determine nominal film thickness, a process that can be time-consuming and imprecise. To address this, we are developing a sensor to measure the thickness of Nb3Sn thin film in situ during vapor diffusion. Our design involves the resistance measurement of a thin film of niobium. During coating, the change in resistance reflects the conversion of the film to Nb3Sn, which allows simple integration with the current furnace infrastructure. This sensor would allow real time measurement of the thickness, allowing for increased precision in future depositions.

Howard, K. [Unlisted] (ORCID:0000000325613308)↗
DOE OSTI2026

Development of in situ thickness sensor for vapor diffused Nb3Sn films

Fermilab is one of the leaders in development of vapor diffused Nb3Sn films inside niobium cavities. This material has a higher critical temperature (Tc) than niobium, enabling cavity operation at 4.2 K. This higher operational temperature significantly reduces the infrastructure required for cooling compared to 2 K systems, making superconducting radio-frequency (SRF) technology more accessible. Current deposition methods have relied on iterative testing to determine nominal film thickness, a process that can be time-consuming and imprecise. To address this, we are developing a sensor to measure the thickness of Nb3Sn thin film in situ during vapor diffusion. Our design involves a four-point resistance measurement of a thin film of niobium, inside the coating region. During coating, the change in resistance reflects the conversion of the film from Nb to Nb3Sn, which allows simple integration with the current furnace infrastructure. This sensor would allow real time measurement of the Nb3Sn film thickness, allowing for increased precision in future depositions for cavity applications.

Howard, K. [Chicago U.] (ORCID:0000000325613308)↗
DOE OSTI2022

Towards string order melting of spin-1 particle chains in superconducting transmons using optimal control

Utilizing optimal control to simulate a model Hamiltonian is an emerging strategy that leverages the intrinsic physics of a device with digital quantum simulation methods. Here we evaluate optimal control for probing the nonequilibrium properties of symmetry-protected topological (SPT) states simulated with superconducting hardware. Assuming a tunable transmon architecture, we cast the evolution of these SPT states as a series of one- and two-site pulse optimization problems that are solved in the presence of leakage constraints. From the generated pulses, we classically simulate the time-dependent melting of the perturbed SPT string order across a six-site model with an average state infidelity of 10 -3 . The feasibility of these pulses as well as their efficient application indicate that high-fidelity simulations of string order melting are within reach of current quantum computing systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Preserving the Josephson Coupling of Twisted Cuprate Junctions via Tailored Silicon Nitride Circuits Boards

Controlled fabrication of twisted van der Waals heterostructures is essential to unlock the full potential of moiré materials. However, achieving reproducibility remains a major challenge, particularly for air-sensitive materials such as Bi 2 Sr 2 CaCu 2 O 8 + δ (BSCCO), where it is crucial to preserve the intrinsic and delicate superconducting properties of the interface throughout the entire fabrication process. Here, a dry, inert and cryogenic assembly method is presented that combines silicon nitride nanomembranes (NMBs) with pre-patterned electrodes and the cryogenic stacking technique (CST) to fabricate high-quality twisted BSCCO Josephson junctions (JJs). This protocol prevents thermal and chemical degradation during both interface formation and electrical contact integration. It is also found that asymmetric membrane designs, such as a double cantilever, effectively suppress vibration-induced disorder due to wire bonding, resulting in sharp and hysteretic current–voltage characteristics. The junctions exhibit a twist-angle-dependent Josephson coupling with magnitudes comparable to the highest-performing devices reported to date, but achieved through a straightforward and versatile contact method, offering a scalable and adaptable platform for future applications. These findings highlight the importance of both interface and contact engineering in addressing reproducibility in superconducting van der Waals heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Use of Direct Optical Heterodyning for Measuring Hardness by the Leeb Method

In this paper, we describe a portable system for measuring the indenter velocity in hardness meters implemented according to the Leeb method. The developed system is a fiber interferometer, in which a radiation source is a semiconductor laser with a wavelength of 1550 nm. The presented experimental results confirm the ability of the system to measure indenter velocities with an uncertainty of 0.001 m/s, which satisfies the requirements of the standards for this method of measuring hardness.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Flexosensitive polarization vortices in thin ferroelectric films

In this work, we present a theoretical study on the influence of the flexoelectric coupling on the spatial distribution and temperature behavior of the spontaneous polarization for several types of stable domain structure in thin ferroelectric films, such as stripe domains and vortices. Finite-element modeling (FEM) for BaTiO 3 films and analytical calculations within the Landau-Ginzburg-Devonshire approach reveals that an out-of-plane polarization component can be very sensitive to the flexoelectric coupling for periodic quasi-2D stripe domains and 3D vortex-antivortex structures. However, the influence is rather different for these structures. The flexoelectric coupling increases significantly the amplitude of a small out-of-plane polarization component in the stripe domains, and the “up” or “down” direction of the component is defined by the sign of the flexoelectric coefficients. Concerning the vortex-antivortex pairs, their antivortices with in-plane antiсirculation have smooth wide dipolar cores through the entire film, whose shape and other features are almost insensitive to the coupling. The vortices with in-plane vorticity have spikelike cores with an out-of-plane quadrupolar moment induced by the flexoelectric coupling. The cores are located near the film–dead-layer interfaces. FEM results corroborated by analytical calculations prove that a change of the flexoelectric coefficient sign leads to a reorientation of the core axial polarization, making the flexosensitive 3D vortices similar to the recently introduced “flexons” in cylindrical nanoparticles. The relatively wide temperature range (from 200 to 400 K) of the flexosensitive vortices' existence gives us confidence that they can be observed experimentally in thin ferroelectric films by scanning-probe and nonlinear optical microscopy methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Final Technical Report on Investigation of Short-range Ordering in Transition Metal Compounds by Diffuse Scattering

Future energy needs and sustainability require new materials with novel properties for such applications as energy production, storage and transport and microelectronics. Quantum materials with several competing interactions at the electronic level offer tremendous opportunity to discover, design and tune properties for such applications. Although it has been recognized that small deviations in atomic positions, driven by the competing electronic interactions, in crystalline materials can have significant impact on properties, it remains a challenge to accurately characterize such deviations (short-range order) due to the lack of advanced instruments and analysis tools to characterize them. This project used the powerful neutron and x-ray scattering instruments recently developed at the DOE user facilities to address this challenge. New methods and efficient analysis tools were employed to uncover the hidden ordering that is behind the unique properties of transition metal compounds. One example of hidden order revealed by this project comes from vanadium (IV) oxide (VO 2 ) and related compounds. The project found that the chemical bonds in VO 2 compete against each other, unlike most crystalline compounds where the chemical bonds cooperate to yield the ordered structure. This helps explain why different measurements yielded different, competing pictures about the nature of VO 2 , which has led to disagreement about where its physical properties come from. Another example from this project of hidden ordering comes from a class of compounds known as condensed Chevrel phases, which are superconducting compounds that are generally believed to be non-magnetic. The neutron scattering methods used in this project revealed evidence of magnetism, which usually does not coexist with superconductivity. In this case, magnetism is believed to be one part of a special type of electronic behavior that can occur in compounds that have one-dimensional bonding character.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Stability and superconductivity of TiPH n (n = 1–8) under high pressure

Titanium exhibits high affinity to hydrogen and the Ti-H compounds are thermodynamically stable. We introduced the Ti elements in the P-H compounds to deal with the thermodynamic-instability issue of the P-H compounds. In this work, ternary hydrogen-rich compounds TiPH n (n = 1-8) were studied and calculated using the density function theory (DFT) method. The results showed that the TiPH 4 and TiPH 8 had high superconducting critical temperatures (T c ) as well as better stability. Further, among TiPH n (n = 1-8), the TiPH and TiPH 4 were most stable at 50-200 and 250-300 GPa, respectively. For the R-3m-TiPH 4 structure, the predicted T c 's are 52 and 62 K at 100 and 250 GPa, respectively, and its larger Young's modulus suggested that it might be potentially synthetized in experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Proximity Effect in a Superconducting Triplet Spin Valve S1/F1/S2/F2

Сritical temperatures of multilayer structures of the superconductor/ferromagnet/ferromagnet (S/F/F) type are obtained using the matrix method for solving the linearized Usadel equations. The influence of an additional superconductor layer on the effects of a three-layer spin valve is considered. The possibility of increasing the efficiency of the spin valve modes with an additional superconducting layer S in the place of the layer N is discussed in comparison with an additional normal layer in the S/F/N/F structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

The nontrivial effects of annealing on superconducting properties of Nb single crystals

The effect of annealing on the superconducting properties of niobium single crystals was studied using optical, magnetic, and scanning tunneling microscopy (STM) methods. Pieces of the same crystal boule were studied before and after the annealing at 800 ${^\circ}\textrm{C}$, 1400 ${^\circ}\textrm{C}$, and near the melting point of niobium (2477 ${^\circ}\textrm{C}$). The initial samples had a high hydrogen content and low-temperature imaging revealed large hydrides (hundreds of micrometers) appearing below 190 K. The formation of these large precipitates is already completely suppressed by annealing at 800 ${^\circ}\textrm{C}$. However, the overall superconducting properties of the annealed samples did not improve and, in fact, worsened. In particular, the superconducting transition temperature decreased, the upper critical field increased, and the pinning strength increased. In the STM study, the sample was annealed initially at 400 ${^\circ}\textrm{C}$, measured, annealed at 1700 ${^\circ}\textrm{C}$, and measured again. The STM revealed a ‘dirty’ superconducting gap with a significant spatial variation in tunneling conductance after annealing at 400 ${^\circ}\textrm{C}$. The clean gap was recovered after annealing at 1700 ${^\circ}\textrm{C}$. This is likely due to oxygen redistribution near the surface, which is always covered by oxide layers in as-grown crystals. Our results indicate that vacuum annealing at least up to 1400 ${^\circ}\textrm{C}$, while removing a large percentage of hydrogen, introduces additional nanosized defects, likely hydride precipitates, that act as efficient pair-breaking and pinning centers. The dimensionless scattering rate is estimated to have increased from $\Gamma = 0.2$ to about $\Gamma = 0.4$ after annealing at 1400 ${^\circ}\textrm{C}$. These results on single crystals differ drastically from those obtained in polycrystalline bulk niobium (i.e. cut from superconducting radio-frequency cavities), where annealing is known to have a significant positive effect that is attributed to the improvement of the crystalline structure masking the more subtle influence of the hydrides.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

The Need for Nb3Sn Coated Cu Cavities for Future Accelerators

Based on current efforts in the U.S. on the novel concept of parallel-feed RF accelerator structures, and in the U.S. and abroad in producing Nb3Sn films on either Cu or bronze, we rec-ommend that the Particle Physics community foster R&D in Superconducting Nb3Sn coated Cu RF Cavities instead of costly bulk Nb. The paper includes methods to process the coated cavi-ties at temperatures consistent with Cu retaining its shape. A devoted global effort in develop-ing Cu cavity structures coated with Nb3Sn would make the ILC or Higgs factories more afforda-ble and more likely to be built. Not only do parallel-feed RF structures enable both higher ac-celerating gradients and higher efficiencies, but they would be applicable to both Cu and Nb3Sn coated Cu cells. Increased effort on these two techniques would synergize expenditures to-wards progress, which will converge on the choice of technology for the RF of an ILC or any fu-ture accelerator. The current methods of Nb3Sn coatings on Cu or bronze can be geared also towards standard cavity cells. In conclusion, the use of distributed coupling structure topology within improved performance parameters together with Nb3Sn coating technology can lead to a paradigm shift for superconducting linacs, with higher gradient, higher temperature of opera-tion, and reduced overall costs for any future collider.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Superconducting bilayers of two-dimensional materials with integrated Josephson junctions

Josephson junctions (JJ) based on bilayers of azimuthally misaligned two-dimensional materials having superconducting states are provided. Also provided are electronic devices and circuits incorporating the JJs as active components and methods of using the electronic devices and circuits. The JJs are formed from bilayers composed of azimuthally misaligned two-dimensional materials having a first superconducting segment and a second superconducting segment separated by a weak-link region that is integrated into the bilayer.

Lagally, Max G.↗
DOE OSTI2021

Fidelity and entanglement entropy for infinite-order phase transitions

Here, we study the fidelity and the entanglement entropy for the ground states of quantum systems that have infinite-order quantum phase transitions. In particular, we consider the quantum O(2) model with a spin-S truncation, where there is an infinite-order Gaussian (IOG) transition for S = 1 and there are Berezinskii-Kosterlitz-Thouless (BKT) transitions for S ≥ 2. We show that the height of the peak in the fidelity susceptibility (χ F ) converges to a finite thermodynamic value as a power law of 1 / L for the IOG transition and as 1 / ln (L) for BKT transitions. The peak position of χ F resides inside the gapped phase for both the IOG transition and BKT transitions. On the other hand, the derivative of the block entanglement entropy with respect to the coupling constant $S^{'}_{vN}$ has a peak height that diverges as ln 2 (L) for S = 1 and ln 3 (L) for S ≥ 2 and can be used to locate both kinds of transitions accurately. We include higher-order corrections for finite-size scalings and obtain the value of the central charge consistent with c = 1 predicted by conformal field theory. The crossing point of χ F between different system sizes is at the IOG point for S = 1 but is inside the gapped phase for S ≥ 2, while those of $S^{'}_{vN}$ are at the phase-transition points for all S truncations. Our work elaborates on how to use the finite-size scaling of χ F or $S^{'}_{vN}$ to detect infinite-order quantum phase transitions and discusses the efficiency and accuracy of the two methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Out-of-equilibrium Majorana zero modes in interacting Kitaev chains

Here, we employ a time-dependent real-space local density-of-states method to study the movement and fusion of Majorana zero modes in the one-dimensional interacting Kitaev model, based on the time evolution of many-body states. We analyze the dynamics and both fusion channels of Majoranas using time-dependent potentials, either creating walls or wells. For fast moving Majoranas, we unveil nonequilibrium signatures of the “strong-zero-mode” operator (quasiparity degeneracy in the full spectrum) and its breakdown in the presence of repulsive Coulomb interactions. Focusing on forming a full electron after fusion, we also discuss the upper and lower limits on the Majorana speed needed to reduce nonadiabatic effects and to avoid poisoning due to decoherence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Cumulant methods for electron-phonon problems. II. The self-consistent cumulant expansion

Here in this paper we present a self-consistent cumulant expansion (SC-CE) and investigate its accuracy for the one-dimensional Holstein model with and without phonon dispersion. We show that for finite lattice sizes, the numerical integration of the SC-CE equations becomes unstable at long times. This defect is partially ameliorated when studying systems in the thermodynamic limit, enabling the demonstration that the SC-CE corrects many deficits of the standard perturbative CE in the (nondispersive) Holstein model. The natural phonon damping that arises in the more realistic dispersed Holstein model renders the SC-CE stable, allowing for a complete assessment of the method. Here, we find that self-consistency dramatically corrects many of the failures found in the perturbative CE, but also introduces some unphysical features. Finally, we comment on the potential use of SC-CE as a tool for calculating Green's functions in generic many-body problems.

36 MATERIALS SCIENCE↗