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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Colossal magnetoresistance from spin-polarized polarons in an Ising system

Recent experiments suggest a new paradigm toward novel colossal magnetoresistance (CMR) in a family of materials EuM 2 X 2 (M = Cd, In, Zn; X = P, As), distinct from the traditional avenues involving Kondo–Ruderman–Kittel–Kasuya–Yosida crossovers, magnetic phase transitions with structural distortions, or topological phase transitions. Here, we use angle-resolved photoemission spectroscopy and density functional theory calculations to explore their origin, particularly focusing on EuCd 2 P 2 . While the low-energy spectral weight royally tracks that of the resistivity anomaly near the temperature with maximum magnetoresistance ( T MR ) as expected from transport-spectroscopy correspondence, the spectra are completely incoherent and strongly suppressed with no hint of a Landau quasiparticle. Using systematic material and temperature dependence investigation complemented by theory, we attribute this nonquasiparticle caricature to the strong presence of entangled magnetic and lattice interactions, a characteristic enabled by the p - f mixing. Given the known presence of ferromagnetic clusters, this naturally points to the origin of CMR being the scattering of spin-polarized polarons at the boundaries of ferromagnetic clusters. These results are not only illuminating to investigate the strong correlations and topology in EuCd 2 X 2 family, but, in a broader view, exemplify how multiple cooperative interactions can give rise to extraordinary behaviors in condensed matter systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impacts and emerging research opportunities in Vehicle-Grid Integration for transportation: A review

This review provides a comprehensive examination of Vehicle-Grid Integration (VGI) technologies and their impacts on transportation systems, with a particular emphasis on the transportation-energy nexus. It systematically explores how VGI affects key transportation applications such as charging infrastructure planning, electric vehicle (EV) routing, smart charging coordination, shared mobility, and dynamic pricing. By synthesizing recent literature from both transportation and energy systems perspectives, this study highlights how advanced methodologies, such as reinforcement learning, game theory, and optimization techniques, are used to model the complex interactions between EVs, mobility patterns, and distributed energy systems. Furthermore, the review also identifies critical challenges, including behavioral factors, data limitations, and system scalability. Drawing on these insights, the paper outlines emerging research opportunities to support the design of integrated, resilient, and user-centric VGI solutions that advance sustainable mobility and energy system efficiency.

Charging coordination↗
DOE OSTI2020

Superconductivity and quantum criticality linked by the Hall effect in a strange metal

Many unconventional superconductors exhibit a common set of anomalous charge transport properties that characterize them as ‘strange metals’, which provides hope that there is a single theory that describes them1–3. However, model-independent connections between the strange metals and superconductivity have remained elusive. Here, we show that the Hall effect of the unconventional superconductor BaFe 2 (As 1-x P x ) 2 contains an anomalous contribution arising from the correlations within the strange metal. This term has a distinctive dependence on the magnetic field, which allows us to track its behaviour across the doping–temperature phase diagram, even under the superconducting dome. These measurements demonstrate that the strange metal Hall component emanates from a quantum critical point and, in the zero-temperature limit, decays together with the superconducting critical temperature. Overall, this empirically reveals the structure of the connection between superconductivity and quantum criticality, which may be common to the physics of many strange metal superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

An extended moments model of quantum efficiency for metals and semiconductors

The complexity of photocathode designs and detector materials, and the need to model their performance for short pulse durations, response to high frequency photons, presence of coatings and/or thinness of the absorptive layer, necessitates modifications to three-step and moments models of photoemission that are used in simulation codes. Here, methods to include input from computationally intensive approaches, such as density functional theory to model optical properties and transfer matrix approaches to treat emission from the surface or transport past coatings, by means of parametric models are demonstrated. First, a technique to accurately represent optical behavior so as to model reflectivity and penetration depth is given. Second, modifications to bulk models arising from the usage of thin film architectures, and a means to rapidly calculate them, is provided. Third, a parameterization to model the impact of wells associated with coatings and surface layers on the transmission probably is given. In all cases, the methods are computationally efficient and designed to allow for including input from numerically intensive approaches that would otherwise be unavailable for simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Impact of classical statistics on thermal conductivity predictions of BAs and diamond using machine learning molecular dynamics

Machine learning interatomic potentials (MLIPs) have greatly enhanced molecular dynamics (MD) simulations, achieving near-first-principles accuracy in thermal conductivity studies. In this work, we reveal that this accuracy, observed in BAs and diamond at sub-Debye temperatures, stems from an accidental error cancelation: classical statistics overestimates specific heat while underestimating phonon lifetimes, balancing out in thermal conductivity predictions. However, this balance is disrupted when isotopes are introduced, leading MLIP-based MD to significantly underpredict thermal conductivity compared to experiments and quantum statistics-based Boltzmann transport equation. This discrepancy arises not from classical statistics affecting phonon–isotope scattering rates but from its impact on the interplay between phonon–isotope and phonon–phonon scattering in the normal scattering-dominated BAs and diamond. In conclusion, this work underscores the limitations of MLIP-based MD for thermal conductivity studies at sub-Debye temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantum Ornstein-Zernike theory for two-temperature two-component plasmas

Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. In this state, density functional theory molecular dynamic simulation is the state of the art for modeling bulk material properties. We construct a statistical mechanics model for the two temperature limit that is theoretically consistent with the molecular dynamics method. We proceed to derive the electron-ion multi-temperature quantum Ornstein-Zernike equations for the first time. This allows the construction of a two-temperature two-component plasma model using the average atom from which we can compute bulk material properties at a fraction of the computation time of the two-temperature density functional theory simulation. The accuracy of the model is benchmarked against ion pair correlation and self-diffusion results from ab initio simulation. Here, we proceed to compute the viscosity and ion thermal conductivity as a function of both ion and electron temperature.

Ab initio molecular dynamics↗
DOE OSTI2021

Conformal maps of viscous electron flow in the Gurzhi crossover

Herein we investigate the impact of geometric constriction on the viscous flow of electron liquid through quantum point contacts. We provide analysis on the electric potential distribution given the setup of a slit configuration and use the method of conformal mapping to obtain analytical results. The potential profile can be tested and contrasted experimentally with the scanning tunneling potentiometry technique. We discuss intricate physics that underlies the Gurzhi effect, i.e., the enhancement of conductivity in the viscous flow, and compare results for different boundary conditions. In addition, we calculate the temperature dependence of the momentum relaxation time as a result of impurity assisted quasiballistic interference effects and discuss various correlational corrections that lead to the violation of Matthiessen's rule in the hydrodynamic regime. We caution that spatially inhomogeneous profiles of current in the Gurzhi crossover between Ohmic and Stokes flows might also appear in the nonhydrodynamic limit where nonlocality plays an important role. This conclusion is corroborated by calculation of dispersive conductivity in the weakly impure limit.

2-dimensional systems↗
DOE OSTI2024

Effects of strain and defects on the topological properties of HfTe 5

Manipulating topological states is a topic of vigorous research. However, the impact of such topological phase transitions on the quasiparticle dynamics remains elusive. Here, in this work, we present the effects of a transition from a strong to weak topological insulator in HfTe 5 as a function of Te vacancy concentration. We observed a significant transition from distinct sharp surface states and Dirac crossing to a Fermi-liquid-like quasiparticle state in which these surface-localized features are heavily suppressed. Additionally, by inducing the same effect through applied uniaxial stress, we demonstrate that changes in the lattice constants play the foremost role in determining the electronic structure, self-energy, and topological states of HfTe 5 . Our results demonstrate the possibility of using both defect chemistry and strain as control parameters for topological phase transitions and associated many-body physics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strong-Field Bloch Electron Interferometry for Band-Structure Retrieval

When Bloch electrons in a solid are exposed to a strong optical field, they are coherently driven in their respective bands where they acquire a quantum phase as the imprint of the band shape. If an electron approaches an avoided crossing formed by two bands, it may be split by undergoing a Landau-Zener transition. We here employ subsequent Landau-Zener transitions to realize strong-field Bloch electron interferometry (SFBEI), allowing us to reveal band structure information. In particular, we measure the Fermi velocity (band slope) of graphene in the vicinity of the K points as 1.07±0.04 nm fs –1 . As a result, we expect SFBEI for band structure retrieval to apply to a wide range of material systems and experimental conditions, making it suitable for studying transient changes in band structure with femtosecond temporal resolution at ambient conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Computational Fluid Dynamics (CFD): Future role and requirements as viewed by an applied aerodynamicist

The problem of designing the wing-fuselage configuration of an advanced transonic commercial airliner and the optimization of a supercruiser fighter are sketched, pointing out the essential fluid mechanical phenomena that play an important role. Such problems suggest that for a numerical method to be useful, it must be able to treat highly three dimensional turbulent separations, flows with jet engine exhausts, and complex vehicle configurations. Weaknesses of the two principal tools of the aerodynamicist, the wind tunnel and the computer, suggest a complementing combined use of these tools, which is illustrated by the case of the transonic wing-fuselage design. The anticipated difficulties in developing an adequate turbulent transport model suggest that such an approach may have to suffice for an extended period. On a longer term, experimentation of turbulent transport in meaningful cases must be intensified to provide a data base for both modeling and theory validation purposes.

Yoshihara, H.↗
NASA NTRS1983

On the Application of Deformation Kinetics to Nonlinear Constitutive Relations at Higher Temperatures

A single phenomenological constitutive equation is derived theoretically from first principles and applied to aluminum, tin and lead. The theory is based on deformation kinetics of steady creep in which the fundamental mechanism is atomic transport over potential barriers whose conformation is distorted by the application of a stress field. The form of the functional dependence of barrier distortion and stress over the entire temperature range is found to be a sigmoidal curve which tends to straight lines of a unit slope in the small and high stress regions. With this form of barrier distortion, the constitutive equation prediction the steady creep behavior of aluminum, tin and lead over a wide range of temperature and stress.

Valanis, K. C.↗
NASA NTRS2001

A Realistic Accretion Disk Model for AGNs

We present a new relativistic accretion disk model of AGNs, based on alpha modified accretion disk theory, where alpha is a parameter that characterizes the efficiency of the mechanism of angular momentum transport. In this model we have considered a geometrically-thin, high-luminosity (alpha-accretion disk, around a supermassive black hole. The geometrically thin limit assumes a local energy balance within the accretion disk, which has been used to derive the plasma temperature of the disk. The energy balance equation has three solutions: low, medium and high temperature, depending on the heating rate of the accretion disk. We predict that the inner part of a high luminosity accretion disk is in the high- temperature (10(exp 7) to 10(exp 9) K) state and for this we obtain the high temperature solution of the energy balance equation using a Comptonization process. We find the local spectrum of each ring of the disk (we have divided the high temperature region of the disk into 50 rings) to be a diluted Wien spectrum. However, the emergent integral spectrum of the high temperature region is a power-law with a high-energy cutoff that depends on the basic parameters of AGNs (the accretion rate, the incidence angle, and the mass and the angular momentum of the central black hole). We have fitted the observed spectra of 28 AGNs using the present model and have derived the values of the basic parameters of these AGNs. Results of these spectral fittings have been discussed in the framework of the unification model of AGNs.

Suleimanov, V.↗
NASA NTRS2010

Conservational PDF Equations of Turbulence

Recently we have revisited the traditional probability density function (PDF) equations for the velocity and species in turbulent incompressible flows. They are all unclosed due to the appearance of various conditional means which are modeled empirically. However, we have observed that it is possible to establish a closed velocity PDF equation and a closed joint velocity and species PDF equation through conditions derived from the integral form of the Navier-Stokes equations. Although, in theory, the resulted PDF equations are neither general nor unique, they nevertheless lead to the exact transport equations for the first moment as well as all higher order moments. We refer these PDF equations as the conservational PDF equations. This observation is worth further exploration for its validity and CFD application

Shih, Tsan-Hsing↗
NASA NTRS2022

Solar Flare Heating with Turbulent Suppression of Thermal Conduction

During solar flares plasma is typically heated to very high temperatures, and the resulting redistribution of energy via thermal conduction is a primary mechanism transporting energy throughout the flaring solar atmosphere. The thermal flux is usually modeled using Spitzer’s theory, which is based on local Coulomb collisions between the electrons carrying the thermal flux and those in the background. However, often during flares, temperature gradients become sufficiently steep that the collisional mean free path exceeds the temperature gradient scale size, so that thermal conduction becomes inherently non-local. Further, turbulent angular scattering, which is detectable in nonthermal widths of atomic emission lines, can also act to increase the collision frequency and so suppress the heat flux. Recent work by Emslie & Bian (2018) extended Spitzer’s theory of thermal conduction to account for both non-locality and turbulent suppression. We have implemented their theoretical expression for the heat flux (which is a convolution of the Spitzer flux with a kernel function) into the RADYN flare-modeling code and performed a parameter study to understand how the resulting changes in thermal conduction affect flare dynamics and hence the radiation produced. We find that models with reduced heat fluxes predict slower bulk flows, less intense line emission, and longer cooling times. By comparing features of atomic emission lines predicted by the models with Doppler velocities and nonthermal line widths deduced from a particular flare observation, we find that models with suppression factors between 0.3 to 0.5 relative to the Spitzer value best reproduce observed Doppmission lines forming over a wide range of temperatures. Interestingly, the model that best matches observed nonthermal line widths has a kappa-type velocity distribution function.

Joel C. Allred↗
NASA NTRS2022

Solar Flare Heating with Turbulent Suppression of Thermal Conduction

During solar flares plasma is typically heated to very high temperatures, and the resulting redistribution of energy via thermal conduction is a primary mechanism transporting energy throughout the flaring solar atmosphere. The thermal flux is usually modeled using Spitzer’s theory, which is based on local Coulomb collisions between the electrons carrying the thermal flux and those in the background. However, often during flares, temperature gradients become sufficiently steep that the collisional mean free path exceeds the temperature gradient scale size, so that thermal conduction becomes inherently non-local. Further, turbulent angular scattering, which is detectable in nonthermal widths of atomic emission lines, can also act to increase the collision frequency and so suppress the heat flux. Recent work by Emslie & Bian (2018) extended Spitzer’s theory of thermal conduction to account for both non-locality and turbulent suppression. We have implemented their theoretical expression for the heat flux (which is a convolution of the Spitzer flux with a kernel function) into the RADYN flare-modeling code and performed a parameter study to understand how the resulting changes in thermal conduction affect flare dynamics and hence the radiation produced. We find that models with reduced heat fluxes predict slower bulk flows, less intense line emission, and longer cooling times. By comparing features of atomic emission lines predicted by the models with Doppler velocities and nonthermal line widths deduced from a particular flare observation, we find that models with suppression factors between 0.3 to 0.5 relative to the Spitzer value best reproduce observed Doppler velocities across emission lines forming over a wide range of temperatures. Interestingly, the model that best matches observed nonthermal line widths has a kappa-type velocity distribution function

Solar flares↗
DOE OSTI2026

Conservation laws and effective hadronization models

Hadronization models based on local string-breaking dynamics are typically Markovian by construction, yet the physical ensemble of final states is shaped by global constraints that couple the entire fragmentation trajectory. Recasting hadronization as a conditioned stochastic diffusion process provides a precise mathematical resolution to this tension. In particular, this language reveals explicitly that constraints stemming from conservation laws induce non-Markovian correlations between otherwise independent fragmentation steps, and that these correlations can be absorbed exactly into a renormalization of the local dynamics through a Doob $h$-transform. We develop this formalism for a $q\bar{q}$ string in the chiral limit, where the longitudinal-transverse factorization of the Lund kernel becomes exact, enabling systematic power counting and clean ultraviolet (UV)/infrared (IR) separation. The dynamics organize naturally into a tower of effective theories distinguished by the remaining string mass, spanning a UV fixed point with scale-invariant transport coefficients, an intermediate regime where transverse phase space induces controlled running, and an IR boundary layer where non-local effects enter at leading order. The tower exhibits genuine Wilsonian structure, including $β$-functions, anomalous dimensions, and systematic matching conditions. The resulting framework achieves a clean factorization of universal microscopic fragmentation dynamics from infrared constraint effects, and opens new directions for both the theoretical analysis and practical simulation of hadronization.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗