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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

Computationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Inclusive jet and hadron suppression in a multistage approach

We present a new study of jet interactions in the quark-gluon plasma created in high-energy heavy-ion collisions, using a multistage event generator within the jetscape framework. We focus on medium-induced modifications in the rate of inclusive jets and high transverse momentum (high-p T ) hadrons. Scattering-induced jet energy loss is calculated in two stages: a high virtuality stage based on the matter model, in which scattering of highly virtual partons modifies the vacuum radiation pattern, and a second stage at lower jet virtuality based on the LBT model, in which leading partons gain and lose virtuality by scattering and radiation. Coherence effects that reduce the medium-induced emission rate in the matter phase are also included. The TRENTO model is used for initial conditions, and the (2 + 1)dimensional VISHNU model is used for viscous hydrodynamic evolution. Jet interactions with the medium are modeled via 2-to-2 scattering with Debye screened potentials, in which the recoiling partons are tracked, hadronized, and included in the jet clustering. Holes left in the medium are also tracked and subtracted to conserve transverse momentum. Calculations of the nuclear modification factor (R AA ) for inclusive jets and high-p T hadrons are compared to experimental measurements at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC). Within this framework, we find that with one extra parameter which codifies the transition between stages of jet modification—along with the typical parameters such as the coupling in the medium, the start and stop criteria, etc.—we can describe these data at all energies for central and semicentral collisions without a rescaling of the jet transport coefficient q.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Time-reversal symmetry breaking in two-dimensional nonequilibrium viscous fluids

In this work, we study the rheological signatures of departure from equilibrium in two-dimensional viscous fluids with and without internal spin. Under the assumption of isotropy, we provide the most general linear constitutive relations for stress and couple stress in terms of the velocity and spin fields. Invoking Onsager's regression hypothesis for fluctuations about steady states, we derive the Green-Kubo formulas relating the transport coefficients to time-correlation functions of the fluctuating stress. In doing so, we show that one of the nonequilibrium transport coefficients, the odd viscosity, requires time-reversal symmetry breaking in the case of systems without internal spin. However, the Green-Kubo relations for systems with internal spin also show that there is a possibility for nonvanishing odd viscosity even when time-reversal symmetry is preserved. Furthermore, we find that breakdown of equipartition in nonequilibrium steady states results in the decoupling of the two rotational viscosities relating the vorticity and the internal spin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Coupled Induction Machine and HVAC Models for Simulating HVAC Performance Considering Grid Dynamics in Buildings

This paper presents the development of novel models that integrate induction machines with HVAC equipment, such as pumps, heat pumps, and chillers, to analyze the impact of electrical parameters on the operational performance of thermo-fluid systems. The proposed model employs a coupling technique that captures the dynamic interactions between induction machines and HVAC systems. By integrating electrical, thermal, and mechanical dynamics, the models provide a comprehensive framework for simulating real-world scenarios, including interactions with the electrical grid. This achievement was made possible through the development of a Computationally Efficient and Accurate Induction Machine (CEAIM) model. Implemented using the equation-based Modelica language, the CEAIM model has been validated against experimental results, manufacturer data sheets, and various operating conditions. Its performance has been compared with existing induction machine models in the Modelica Standard Library (MSL), demonstrating superior accuracy and computational efficiency. The CEAIM model predicts torque, speed, and power consumption with a coefficient of determination (R 2 ) ranging from 0.98 to 1 and a coefficient of variation of root mean square error (CVRMSE) between 0.27% and 6.67%. Additionally, CEAIM scales more efficiently than conventional MSL models, with a slower computational growth rate in large-scale simulations. After thorough validation of the CEAIM model, it was coupled with HVAC equipment as this approach provides a detailed multi-dimensional view of capturing electrical transients and mechanical performance. To support this, a case study was conducted to showcase its capabilities.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Utilization of ACE nuclear data file toolkit ACEtk to calculate relative sensitivity coefficients of point-kinetics parameters

Sensitivity and uncertainty methods are quintessential for nuclear criticality safety and experiment design. This type of analysis relies on calculations of sensitivity coefficients; sensitivity coefficients of the effective neutron multiplication factor with respect to some nuclear data are predominantly calculated and used. As a part of the Laboratory Directed Research & Development project EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data) at Los Alamos National Laboratory, sensitivity coefficients of many radiation detector measurement responses with respect to nuclear data were investigated. Specifically, this paper outlines a method to calculate point-kinetics parameters relative sensitivity coefficients with respect to nuclear data. Point-kinetics parameters such as the prompt neutron decay constant, effective delayed neutron fraction, and neutron generation time are especially important to experimenters and reactor operators designing systems with dynamic neutron populations. This method couples capabilities of the ACE (A Compact ENDF) nuclear data file toolkit, ACEtk, with the ability to load cross sections into the radiation transport code Monte Carlo N-Particle (MCNP). In conclusion, key aspects of optimizing this method for a particular application and sensitivity profiles of the Jezebel criticality experiment are examined and discussed.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2014

Investigation of Coupled Processes and Impact of High Temperature Limits in Argillite Rock

Shale and clay-rich geological formations have been considered as potential host rock for geological disposal of high-level radioactive waste throughout the world, because of their low permeability, low diffusion coefficient, high retention capacity for radionuclides, and capability to self-seal fractures. Permeabilities arising from the primary porosity of these rock types are low because of the extremely fine-grained constituents and the very small pores associated with the fine-grained material. Permeability values are typically less than 10 microdarcies (10-17 m2 or about 10-10 m/s equivalent hydraulic conductivity) and are often two to four orders of magnitude lower. While fractures can occur, clay and shale often demonstrate the tendency to self-seal fractures, which reduces the effects of fractures on bulk permeability. This occurs as a result of swelling from the increased water potential in fractures, the generation of fracture infilling materials and mineral precipitation, and plastic deformation of the rock (Mazurek et al., 2003). The low permeability of clay and shale rock are well-known in the hydrogeology community where these rock types represent aquitards that severely limit groundwater movement, and in petroleum geology, where they act as caprocks limiting the rise of buoyant petroleum fluids. Other favorable characteristics of clay/shale rock are the strong sorptive behavior for many radionuclides and (in saturated systems) the low flow rates, which typically lead to reducing conditions because of the lack of oxygen transport from the surface. Clay and shale rock also act to chemically buffer the effects of materials introduced through repository construction, operation, and emplaced materials (Arcos et al., 2008).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

EFT at FASERν

We investigate the sensitivity of the FASERv detector to new physics in the form of non-standard neutrino interactions. FASERv which will be installed 480 m downstream of the ATLAS interaction point, will for the first time study interactions of multi-TeV neutrinos from a controlled source. Our formalism — which is applicable to any current and future neutrino experiment — is based on the Standard Model Effective Theory (SMEFT) and its counterpart, Weak Effective Field Theory (WEFT), below the electroweak scale. Starting from the WEFT Lagrangian, we compute the coefficients that modify neutrino production in meson decays and detection via deep-inelastic scattering, and we express the new physics effects in terms of modified flavor transition probabilities. For some coupling structures, we find that FASERv will be able to constrain interactions that are two to three orders of magnitude weaker than Standard Model weak interactions, implying that the experiment will be indirectly probing new physics at the multi-TeV scale. In some cases, FASERv constraints will become comparable to existing limits — some of them derived for the first time in this paper — already with 150 fb -1 of data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Quasinormal modes and greybody factors of f(R) gravity minimally coupled to a cloud of strings in 2+1 dimensions

In this paper we have studied the propagation of a massless scalar field minimally coupled to a black hole with the source of cloud of strings in 2+1 f(R) gravity theory. In particular we have found analytical results for the decay rate, reflection coefficient, greybody factors, as well as the black hole temperature. On the other hand, our quasinormal modes analyses reveal stability in the propagation of a massless scalar field in the cloud of strings black hole spacetime. However, under a suitable choose of parameters an instability is found. Furthermore based on the Bekenstein conjecture on the quantization of the surface area of the black hole we find the minimal surface area associated to the black hole horizon which is in agreement with Bekenstein’s proposal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of carbon ion irradiation on Ag diffusion in SiC

Transport of Ag fission product through the silicon-carbide (SiC) diffusion barrier layer in TRISO fuel particles is of considerable interest given the application of this fuel type in high temperature gas-cooled reactor (HTGR) and other future reactor concepts. The reactor experiments indicate that radiation may play an important role in release of Ag; however so far the isolated effect of radiation on Ag diffusion has not been investigated in controlled laboratory experiments. In this study, we investigate the diffusion couples of Ag and polycrystalline 3C–SiC, as well as Ag and single crystalline 4H–SiC samples before and after irradiation with C 2+ ions. The diffusion couple samples were exposed to temperatures of 1500 °C, 1535 °C, and 1569 °C, and the ensuing diffusion profiles were analyzed by secondary ion mass spectrometry (SIMS). We found that diffusion coefficients calculated from these measurements indicate that Ag diffusion was greatly enhanced by carbon irradiation due to a combined effect of radiation damage on diffusion and the presence of grain boundaries in polycrystalline SiC samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Applying Bayesian parameter estimation to relativistic heavy-ion collisions: Simultaneous characterization of the initial state and quark-gluon plasma medium

We quantitatively estimate properties of the quark-gluon plasma created in ultrarelativistic heavy-ion collisions utilizing Bayesian statistics and a multiparameter model-to-data comparison. The study is performed using a recently developed parametric initial condition model, T R ENTo, which interpolates among a general class of particle production schemes, and a modern hybrid model which couples viscous hydrodynamics to a hadronic cascade.We calibrate the model to multiplicity, transverse momentum, and flow data and report constraints on the parametrized initial conditions and the temperature-dependent transport coefficients of the quark-gluon plasma. We show that initial entropy deposition is consistent with a saturation-based picture, extract a relation between the minimum value and slope of the temperature-dependent specific shear viscosity, and find a clear signal for a nonzero bulk viscosity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Superconductivity in the intermetallic compound Zr 5 Al 4

Polycrystalline Zr 5 Al 4 was synthesized using the arc-melting method. Powder X-ray diffraction confirms the previously reported crystal structure of the Ti 5 Ga 4 -type ( P 6 3 / mcm ) with lattice parameters: a = 8.4312(6) Å, and c = 5.7752(8) Å. Electrical resistivity and low-temperature magnetic susceptibility measurements indicate that Zr 5 Al 4 exhibits superconducting behavior below 2K. The normalized heat capacity jump at T c = 1.82 K, Δ C/γT c = 1.50, confirms the bulk superconductivity. The Sommerfeld coefficient γ = 28.5 mJ mol -1 K -2 and the Debye temperature Θ D = 320 K were obtained by fitting the low-temperature heat capacity data. The electron-phonon coupling strength λ el-ph = 0.49 and estimated upper critical field μ 0 H c2 (0) = 1.09 T (dirty limit) suggest that Zr 5 Al 4 is a weakly coupled type-II superconductor. Finally, first-principles calculations show the presence of a van Hove singularity near the Fermi energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

A new, coupled transport-diffusion method for radiative transfer calculations

We derive and present a new frequency- and angle-integrated low-order system of equations designed to enhance the accuracy of a coupled, high-order (transport) solution of the thermal radiative transfer equations. In particular, our new low-order system is designed to use intensity-weighted opacities and anisotropic diffusion coefficients generated by a solution of the Implicit Monte Carlo (IMC) equations in order to predict the spatial dependence of the material temperature and radiation energies in the ensuing time cycle. The predicted temperature solution can then be exploited to generate appropriately time-centered opacities, specific heats, and Planck emission spectra for the upcoming IMC solution. Additionally, the relatively inexpensive solution of the low-order system can be iteratively solved to recommend an adaptive time step size before the IMC solution is computed. A test implementation has been implemented using existing software available from the Jayenne and Capsaicin projects at Los Alamos National Laboratory. We present initial results from a new driver code that has integrated these stochastic and deterministic software packages. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Cosmological QCD phase transition in steady non-equilibrium dissipative Hořava–Lifshitz early universe

We study the phase transition from quark–gluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about 1–10 μs old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Hořava–Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann–Robertson–Walker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Hořava–Lifshitz gravity, λ, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature T, scale factor a, deceleration parameter q and dimensionless ratio of the bulk viscosity coefficient to entropy density (ξ)/s . We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively. -- Highlights: •In this paper we have studied quark–hadron phase transition in the early universe in the context of the Hořava–Lifshitz model. •We use a flat FRW universe with the bulk viscosity cosmological background fluid obeying the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Quantum mechanical calculation of the collision-induced absorption spectra of N{sub 2}–N{sub 2} with anisotropic interactions

We present quantum mechanical calculations of the collision-induced absorption spectra of nitrogen molecules, using ab initio dipole moment and potential energy surfaces. Collision-induced spectra are first calculated using the isotropic interaction approximation. Then, we improve upon these results by considering the full anisotropic interaction potential. We also develop the computationally less expensive coupled-states approximation for calculating collision-induced spectra and validate this approximation by comparing the results to numerically exact close-coupling calculations for low energies. Angular localization of the scattering wave functions due to anisotropic interactions affects the line strength at low energies by two orders of magnitude. The effect of anisotropy decreases at higher energy, which validates the isotropic interaction approximation as a high-temperature approximation for calculating collision-induced spectra. Agreement with experimental data is reasonable in the isotropic interaction approximation, and improves when the full anisotropic potential is considered. Calculated absorption coefficients are tabulated for application in atmospheric modeling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Parameterization of Direct and Doorway Processes in R-Matrix Formalism

R-matrix formalism is extended beyond compound nuclear (CN) resonant reactions to include parameterization of direct as well as doorway processes. Direct processes in the R-matrix exterior are parameterized by a unitary matrix that introduces mixing among wave function coefficients of the incoming and outgoing wave function components at the R-matrix channel surface. Doorway processes are parameterized by separating the Hilbert space of the interior R-matrix region into its doorway and CN subspaces, from which doorway state eigenenergies, reduced width amplitudes, and the strengths of their coupling to CN levels appear as new R-matrix parameters. Parameterization of generalized as well as the conventional Reich–Moore approximation for eliminated capture channels in the presence of direct, doorway, and CN processes is presented along with a complex-valued scattering length with contributions from direct, doorway, and CN capture processes. Derivation of Brune’s alternative R-matrix parameters is extended to include doorway states. This work suggests how R-matrix formalism could be extended further by adopting the concepts from related reaction formalisms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Dynamics of heavy quarks in strongly coupled $\mathcal{N}$ = 4 SYM plasma

We calculate the probability distribution P(k) for a heavy quark with velocity v propagating through strongly coupled N = 4 SYM plasma in the ’t Hooft limit (N c → ∞, λ = g 2 N c → ∞) at a temperature T to acquire a momentum k due to interactions with the plasma. This distribution encodes the well-known drag coefficient η D and the transverse and longitudinal momentum diffusion coefficients κ T and κ L . The jet quenching parameter $\hat{q}$ can be extracted from P(k) for v = 1. Going beyond these known Gaussian characteristics of P(k), our calculation determines all of the higher order and mixed moments to leading order in 1/$\sqrt{λ}$ for the first time. These non-Gaussian features of P(k) include qualitatively novel correlations between longitudinal energy loss and transverse momentum broadening at nonzero v. We show that all higher moments scale characteristically with an effective temperature of the boosted plasma in the heavy quark rest frame, and we demonstrate that these non-Gaussian characteristics can be sizable in magnitude and even dominant in physically relevant situations. We use these results to derive a Kolmogorov equation for the evolution of the probability distribution for the total momentum of a heavy quark that propagates through strongly coupled plasma. This evolution equation accounts for all higher order correlations between transverse momentum broadening and longitudinal energy loss, which we have calculated from first principles. It reduces to a Fokker-Planck equation when truncated to only include the effects of η D , κ T and κ L . Remarkably, while heavy quarks do not reach kinetic equilibrium with the plasma if evolved with this Fokker-Planck equation, by showing that the Boltzmann distribution is a static solution of the all-order Kolmogorov equation that we have derived we demonstrate that heavy quarks do reach kinetic equilibrium if evolved with this equation. Our results thus provide a dynamically complete framework for understanding the thermalization of a heavy quark that may be initially far from equilibrium in the strongly coupled N = 4 SYM plasma — as well as new insight into heavy quark transport and equilibration in quark-gluon plasma.

Holography and Hydrodynamics↗
DOE OSTI2018

Critical Phase-Transition Current in Niobium Nitride Thin Films

Abstract—The effect of current and magnetic field on the transition to the superconducting state in niobium nitride thin films has been studied. The critical current dependences of the films on the temperature and magnetic field in the transition region have been determined. Within the framework of models of a normal domain and quasiparticle heating during viscous flow of a magnetic flux, the functional dependences of the critical current have been determined in close vicinity of the superconducting transition temperature. Using the theory of electron heating, we have determined the time of the electron energy relaxation. We also estimated the electron-phonon and the electron-electron inelastic scattering times, the diffusion coefficient of electrons, and heat transfer coefficient.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Modelling the effect of divertor closure on detachment onset in DIII-D with the SOLPS code

SOLPS modelling has shown that divertor plasma detachment occurs at a lower upstream separatrix density in the more closed DIII-D upper divertor than the open lower divertor, demonstrating the utility of the divertor closure in widening the range of acceptable densities for adequate heat handling. To achieve reduced heat flux and erosion at the plasma-facing components, future devices will need to operate in at least partially detached divertor conditions . Two-dimensional fluid plasma models coupled to Monte Carlo neutral transport simulations, such as SOLPS, have been widely used to predict the onset of detachment. In modelling the DIII-D discharges, the cross-field transport coefficients are constrained to reproduce the experimental upstream profiles. The closed divertor has been modelled with the same input parameters of the open divertor, allowing a direct comparison of the target conditions in both geometries. SOLPS simulations indicate that a higher molecular density correlates strongly with lower electron temperatures. The increased closure of the upper divertor improves the trapping of neutrals, thereby reducing the power density deposited at the target and facilitating detachment, in agreement with experimental observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗