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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Formation and Microwave Losses of Hydrides in Superconducting Niobium Thin Films Resulting from Fluoride Chemical Processing

Abstract Superconducting niobium (Nb) thin films have recently attracted significant attention due to their utility for quantum information technologies. In the processing of Nb thin films, fluoride‐based chemical etchants are commonly used to remove surface oxides that are known to affect superconducting quantum devices adversely. However, these same etchants can also introduce hydrogen to form Nb hydrides, potentially negatively impacting microwave loss performance. Here, comprehensive materials characterization of Nb hydrides formed in Nb thin films as a function of fluoride chemical treatments is presented. In particular, secondary‐ion mass spectrometry, X‐ray scattering, and transmission electron microscopy reveal the spatial distribution and phase transformation of Nb hydrides. The rate of hydride formation is determined by the fluoride solution acidity and the etch rate of Nb 2 O 5, which acts as a diffusion barrier for hydrogen into Nb. The resulting Nb hydrides are detrimental to Nb superconducting properties and lead to increased power‐independent microwave loss in coplanar waveguide resonators. However, Nb hydrides do not correlate with two‐level system loss or device aging mechanisms. Overall, this work provides insight into the formation of Nb hydrides and their role in microwave loss, thus guiding ongoing efforts to maximize coherence time in superconducting quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tailoring the Reaction Heterogeneity for Robust Li‐Rich Cathodes

The practical application of Li-rich Mn-based layered oxides (LLO) cathode is hindered by severe capacity and voltage degradation resulting from severe oxygen release and irreversible phase transition. In this work, the reaction heterogeneity, which describes the spatially resolved electrochemical divergence within individual cathode particles, is engineered through compositional gradient design to couple Li + transport kinetics and the anion redox activity between particle interiors and surfaces. It is revealed that Co/Mn concentration gradient within particles creates heterogeneous phase content distribution and structural ordering, inducing surface-bulk reaction heterogeneity that significantly impacts the overall electrochemical performance. Specifically, Li 2 MnO 3 -poor and Co-enriched surface effectively mitigates the oxygen loss and enhances electrochemical reaction kinetics, benefited from the reduced surface redox reactivity and induced highly ordered intra-layered cationic arrangement. Meanwhile, the Li 2 MnO 3 -enriched core with slight Li/Ni intermixing provides high reversible capacity and strong mechanical stability. Consequently, the greatly enhanced anion redox reversibility, Li + diffusion dynamics, and structure stability endow LLO with exceptional electrochemical properties, showing a capacity retention of 86.0% and a reduced voltage decay of 0.518 mV per cycle after 500 cycles at 1 C. This work provides a valuable strategy to tailor the redox chemistry and achieve robust LLO.

25 ENERGY STORAGE↗
DOE OSTI2015

A Scalable Algorithm for Radiative Heat Transfer Using Reverse Monte Carlo Ray Tracing

Radiative heat transfer is an important mechanism in a class of challenging engineering and research problems. A direct all-to-all treatment of these problems is prohibitively expensive on large core counts due to pervasive all- to-all MPI communication. The massive heat transfer problem arising from the next generation of clean coal boilers being modeled by the Uintah framework has radiation as a dominant heat transfer mode. Reverse Monte Carlo ray tracing (RMCRT) can be used to solve for the radiative-flux divergence while accounting for the effects of participating media. The ray tracing approach used here replicates the geometry of the boiler on a multi-core node and then uses an all-to-all communication phase to distribute the results globally. The cost of this all-to-all is reduced by using an adaptive mesh approach in which a fine mesh is only used locally, and a coarse mesh is used elsewhere. Here, a model for communication and computation complexity is used to predict performance of this new method. We show this model is consistent with observed results and demonstrate excellent strong scaling to 262K cores on the DOE Titan system on problem sizes that were previously computationally intractable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Holographic Kolmogorov-Sinai entropy and the quantum Lyapunov spectrum

In classical chaotic systems the entropy, averaged over initial phase space distributions, follows a universal behavior. While approaching thermal equilibrium it passes through a stage where it grows linearly, while the growth rate, the Kolmogorov-Sinai entropy (rate), is given by the sum over all positive Lyapunov exponents. A natural question is whether a similar relation is valid for quantum systems. We argue that the Maldacena-Shenker-Stanford bound on quantum Lyapunov exponents implies that the upper bound on the growth rate of the entropy, averaged over states in Hilbert space that evolve towards a thermal state with temperature T, should be given by πT times the thermal state’s von Neumann entropy. Strongly coupled, large N theories with black hole duals should saturate the bound. To test this we study a large number of isotropization processes of random, spatially homogeneous, far from equilibrium initial states in large N, $\mathcal{N}$ = 4 Super Yang Mills theory at strong coupling and compute the ensemble averaged growth rate of the dual black hole’s apparent horizon area. We find both an analogous behavior as in classical chaotic systems and numerical evidence that the conjectured bound on averaged entropy growth is saturated granted that the Lyapunov exponents are degenerate and given by λ i = ±2πT. This fits to the behavior of classical systems with plus/minus symmetric Lyapunov spectra, a symmetry which implies the validity of Liouville’s theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Dark matter in 3D

We discuss the relevance of directional detection experiments in the post-discovery era and propose a method to extract the local dark matter phase space distribution from directional data. The first feature of this method is a parameterization of the dark matter distribution function in terms of integrals of motion, which can be analytically extended to infer properties of the global distribution if certain equilibrium conditions hold. The second feature of our method is a decomposition of the distribution function in moments of a model independent basis, with minimal reliance on the ansatz for its functional form. We illustrate our method using the Via Lactea II N-body simulation as well as an analytical model for the dark matter halo. Furthermore, we conclude that O(1000) events are necessary to measure deviations from the Standard Halo Model and constrain or measure the presence of anisotropies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Freeze-in, glaciation, and UV sensitivity from light mediators

Dark matter (DM) freeze-in through a light mediator is an appealing model with excellent detection prospects at current and future experiments. Light mediator freeze-in is UV-insensitive insofar as most DM is produced at late times, and thus the DM abundance does not depend on the unknown early evolution of our universe. However the final DM yield retains a dependence on the initial DM population, which is usually assumed to be exactly zero. We point out that in models with light mediators, the final DM yield will also depend on the initial conditions assumed for the light mediator population. We describe a class of scenarios we call “glaciation” where DM freezing in from the SM encounters a pre-existing thermal bath of mediators, and study the dependence of the final DM yield on the initial temperature of this dark radiation bath. To compute DM scattering rates in this cosmology, we derive for the first time an exact integral expression for the Boltzmann collision term describing interactions between two species at different temperatures. We quantify the dependence of the DM yield on the initial dark temperature and find that it can be sizeable in regions near the traditional (zero initial abundance) freeze-in curve. We generalize the freeze-in curve to a glaciation band, which can extend as much as an order of magnitude below the traditional freeze-in direct detection target, and point out that the DM phase space distribution as well as the yield can be strongly dependent on initial conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Effect of Base Metal Misorientation on Single-Crystal Superalloy Transient Liquid-Phase Bonded Joints

In this paper, experiments and theoretical analysis were conducted to elucidate the internal relation between base metal misorientation and the characteristics of DD5 single-crystal superalloy TLP joints. The alloy was bonded at 1513 K for 10 h in vacuum environment. High-temperature creep rupture tests were carried out to determine the joint’s quality. Results revealed that base metal misorientation exerted a remarkable influence on DD5 alloy TLP joints. The joints of base metals with [001] orientation were used in this research. When the misorientation was smaller than 9°-10°, the single crystallization of joints can be realized and joints can achieve excellent mechanical properties. When the misorientation was more than 10°, there would be second-phase particles distributed in grain boundaries, thus resulting in poor mechanical property of joint; moreover, the characteristics of joint did not change with base metal misorientation in this case.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Study on Microstructure and Properties of AZ31/6061 GTAW Butt Joints According to Mg-Cd-Al Ternary System

AZ31 Mg and 6061 Al were successfully joined by GTAW method with Cd as filler metal. The tensile strength of the joints reached 170 MPa through this alloying method according to Mg-Cd-Al ternary system. The microstructure, phases, element distribution and fracture mechanism of alloyed joints were studied. The results suggest that the fusion zone is mainly composed of CdMg compounds and Al-based solid solution. A transitional zone thickness of 40-80 μm with few primary Al{sub 12}Mg{sub 17} and fine Al{sub 12}Mg{sub 17}-MCMS (MCMS represents a mixture of CdMg and CdMg{sub 3} compounds) eutectic is formed between the AZ31 base metal and fusion zone. The fracture surface presents three distinct regions because of the different distribution of Al{sub 12}Mg{sub 17} compounds in the transitional zone. The alloying with Cd filler metal can disperse Al{sub 12}Mg{sub 17} intermetallic compounds and form CdMg ordered compounds with excellent plasticity. Thus, the mechanical properties of alloyed joints have been significantly enhanced.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure and Performance of Nano-WC Particle-Strengthened Ni Coatings by Electro-brush Plating

Nano-WC particle-strengthened Ni composite coatings were prepared by electro-brush plating. A series of artificial neural network models was developed for the analysis and prediction of the coating performance. The microstructure and phase structure were studied with SEM, XRD and EDS. Nano-WC particles as the hard phase were distributed evenly and dispersed in the coatings, which was conducive to the hardness enhancement of the coatings. Additionally, nano-WC particles as microballs inserted in the coatings could reduce the friction when wear of the coating surface occurred. Furthermore, the addition of nano-WC particles delayed the time of crack initiation and propagation in the coatings, which increased the service lifetime when they worked in a thermal shock environment.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Friction Stir Welding of ODS and RAFM Steels

Advanced structural materials such as oxide dispersion strengthened steels and reduced-activation ferritic/martensitic steels are desired in fusion reactors as primary candidate materials for first wall and blanket structures, due to their excellent radiation and high-temperature creep resistance. However, their poor fusion weldability has been the major technical challenge limiting practical applications. For this reason, solid-state friction stir welding (FSW) has been considered for such applications. In this paper, the effect of FSW parameters on joining similar and dissimilar advanced structural steels was investigated. Scanning electron microscopy and electron backscatter diffraction methods were used to reveal the effects of FSW on grain size, micro-texture distribution, and phase stability. Hardness mapping was performed to evaluate mechanical properties. Finally, post weld heat treatment was also performed to tailor the microstructure in the welds in order to match the weld zone mechanical properties to the base material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microstructural changes and mass transport in cement-based materials: A modeling approach

Highlights: • Concept to relate microstructural changes, mass transport, and chemical reactions in cement-based materials is presented. • Multi-physics modeling approach utilizing an extended version of the PNP equation and the geochemical code IPHREEQC. • Case studies indicate significant changes in mass transport properties due to alterations in the microstructure. • Microstructural changes depend on exposure and interactions between chemical reactions, pore structure, and mass transport. A generic modeling framework is presented to relate microstructural changes, i.e. changes in the pore volume distribution and phase assemblage, and mass transport in cement-based materials. The modeling framework accounts for mass transport and chemical equilibrium between ions in the pore solution and solid hydrates by means of an extended version of the Poisson-Nernst-Planck equation, in which the chemical equilibrium is solved by the external geochemical code IPHREEQC. Results of numerical studies concerning carbonation and leaching of a cement-based material indicate significant changes in mass transport properties due to chemical reactions leading to alterations in the microstructure. The resulting highly non-linear (both spatial and temporal) microstructural changes are thereby depending on the exposure and indicate that interactions between chemical reactions, pore structure changes, and mass transport have to be accounted for as a whole.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Relating phase transitions to pore size distributions and mechanical mortar properties in CSA-OPC-C$ based systems – The potential impact of delayed straetlingite formation

The scope of this research is to investigate the performance evolution of five ternary CSA-OPC-Cs systems. Time resolved thermodynamic modeling was employed to gain insight into changes in the volume fractions of the hydrating pastes and link these changes to trends in the pore size distributions of the mortars. Pore solution analyses were performed to investigate which hydrates have the potential to exert high crystallization pressures. In three out of five blends the resulting tensile stress exceeded the tensile strength of the materials, resulting in the occurrence of coarse pores, which could be linked to the measured compressive strengths. Two damaging crystallization processes were identified in the investigated blends. One is the continuous precipitation of ettringite at high supersaturation in a system with high anhydrite addition. The other is the delayed crystallization of straetlingite at high supersaturation and crystallization pressure in the confined environment of mature pastes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Particlization in fluid dynamical simulations of heavy-ion collisions: The IS3D module

The IS3D particlization module simulates the emission of hadrons from heavy-ion collisions via Monte-Carlo sampling of the Cooper–Frye formula which converts fluid dynamical information into local phase-space distributions for hadrons. The code package includes multiple choices for the non-equilibrium correction to these distribution functions: the 14-moment approximation, first-order Chapman–Enskog expansion, and two types of modified equilibrium distributions. This makes it possible to explore to what extent heavy-ion experimental data are sensitive to different choices for δf n , presently the main source of theoretical uncertainty in the particlization stage. Here, we validate our particle sampler with a high degree of precision by generating several million hadron emission events from a longitudinally boost-invariant hypersurface and comparing the event-averaged particle spectra and space–time distributions to the Cooper–Frye formula.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Limits on axion–photon coupling or on local axion density: Dependence on models of the Milky Way’s dark halo

The μV-scale axion is a compelling cold dark matter candidate. The Axion Dark Matter eXperiment (ADMX) searches for axions by stimulating the decay of galactic dark matter halo axions into detectable microwave photons by their conversion in a resonant cavity permeated by a strong, static magnetic field. The signal depends on properties of the Milky Way’s dark matter halo; the choice of halo model has significant implications for the sensitivity of direct detection searches, e.g., ADMX. This work explores the sensitivity of the data taken by ADMX from 2008 to 2010 to various dark matter halo models. New models for the phase-space distribution of local axions are considered; the analysis demonstrates that certain assumptions about the dark matter halo improve limits on axion–photon coupling. In addition, new ADMX data covering 860–892 MHz are included in the analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Realizability-preserving DG-IMEX method for the two-moment model of fermion transport

Building on the framework of Zhang & Shu [1], [2], we develop a realizability-preserving method to simulate the transport of particles (fermions) through a background material using a two-moment model that evolves the angular moments of a phase space distribution function f . The two-moment model is closed using algebraic moment closures; e.g., as proposed by Cernohorsky & Bludman [3] and Banach & Larecki [4]. Variations of this model have recently been used to simulate neutrino transport in nuclear astrophysics applications, including core-collapse supernovae and compact binary mergers. We employ the discontinuous Galerkin (DG) method for spatial discretization (in part to capture the asymptotic diffusion limit of the model) combined with implicit-explicit (IMEX) time integration to stably bypass short timescales induced by frequent interactions between particles and the background. Appropriate care is taken to ensure the method preserves strict algebraic bounds on the evolved moments (particle density and flux) as dictated by Pauli's exclusion principle, which demands a bounded distribution function (i.e., f ϵ [0,1]). This realizability-preserving scheme combines a suitable CFL condition, a realizability-enforcing limiter, a closure procedure based on Fermi-Dirac statistics, and an IMEX scheme whose stages can be written as a convex combination of forward Euler steps combined with a backward Euler step. The IMEX scheme is formally only first-order accurate, but works well in the diffusion limit, and — without interactions with the background — reduces to the optimal second-order strong stability-preserving explicit Runge-Kutta scheme of Shu & Osher [5]. Numerical results demonstrate the realizability-preserving properties of the scheme. As a result, we also demonstrate that the use of algebraic moment closures not based on Fermi-Dirac statistics can lead to unphysical moments in the context of fermion transport.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A peak position comparison method for high-speed quantitative Laue microdiffraction data processing

Indexing Laue patterns of a synchrotron microdiffraction scan can take as much as ten times longer than collecting the data, impeding efficient structural analysis using this technique. Here in this paper, a novel strategy is developed. By comparing the peak positions of adjacent Laue patterns and checking the intensity sequence, grain and phase boundaries are identified, requiring only a limited number of indexing steps for each individual grain. Using this protocol, the Laue patterns can be indexed on the fly as they are taken. The validation of this method is demonstrated by analyzing the microstructure of a laser 3D printed multi-phase/multi-grain Ni-based superalloy.

36 MATERIALS SCIENCE↗