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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 OSTI2022

P{sub N} source expansion nodal method in MPACT for boiling water reactors

This paper describes the one-node P{sub N}-Source Expansion Nodal Method (SENM) axial solver for the 2D/1D method recently implemented in MPACT to support Boiling Water Reactors (BWR) analysis. Since the BWR has a more complicated design and strong burnable absorber, the existing PN-Nodal Expansion Method (NEM) axial solver in MPACT may not be sufficient to accurately represent the intranodal flux and source profiles for BWRs. The one-node P{sub N}-SENM has been implemented in this work to reduce the axial spatial discretization error for BWRs. From numerical results, we verify that the P{sub N}-SENM can improve the accuracy of the pin power prediction, and confirm that P{sub N}-SENM can use more than a 1.5 times larger axial mesh size than P{sub N}-NEM to have similar accuracy for the BWR GE14 3D assembly problem. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

The MP{sub N} method: a new angular discretization method based on piecewise polynomial interfaces fluxes

In transport calculations, it is well known how S{sub N} method is extremely inefficient in problems where the particle physics is dominated by streaming. The ray-effect eventually produced by the insufficient angular discretization, appears to be extremely persistent with respect to the refinement of the angular quadrature. The MP{sub N} method, that relies on continuous angular representation, offers a robust remedy to such an issue. MP{sub N} is based on the decomposition of the unit sphere into solid angles and on a piecewise continuous definition of interface fluxes, which are expanded in polynomials in each solid angle. This allows propagating more than one angular degree of freedom simultaneously while maintaining unaltered the block-diagonal pattern of the displacement plus removal operator. The method is therefore well suited for the flux resolution by means of a conventional sweep algorithm. Furthermore, unlike the S{sub N} method, MP{sub N} does not rely on discrete directions and, thus, on an angular quadrature formula, but rather constructs a set of linear equations solving for the angular moments of the flux for all discrete solid angles within the sweep. MP{sub N} shows an error convergence rate higher than S{sub N} at the expense of an increased size of the coefficient matrices, so of the computational cost. Although MP{sub N} is not free from ray-effect, the latter is effectively mitigated and less persistent with respect to the increase of the angular refinement order. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Investigation of methods for targeted search of dominant higher modes in subcritical systems

The reactor physics modeling of subcritical systems requires a substantially different approach from that of a critical reactor due to the presence of the so-called higher modes. Earlier investigations showed that the dominant higher modes lie in the inner part of the eigenvalue spectrum, making the conventional eigenvalue searches unfeasible and calling for a targeted search. This paper investigates the possibility of targeted and multitudinous eigenvalue calculation by testing the Krylov-Schur and the Dynamic Modes Decomposition (DMD) method for simple, analytically tractable problems. While the DMD method clearly showed its efficiency in a one-group homogeneous problem, modal analysis of a three-dimensional reflected reactor in two-groups approximation demonstrated that the increasing complexity poses challenges for both methods. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Investigating the AGN-201M research reactor's unique dominance ratio

The AGN-201M reactor is a small, thermal spectrum reactor located at the University of New Mexico (UNM). It is moderated by polyethylene, reflected by graphite, with fuel comprised of uranium microspheres embedded in polyethylene plates that are separated by an aluminum baffle. The dominance ratio of a multiplying system is the ratio of the first higher-mode eigenvalue to the fundamental, k{sub 1}/k{sub 0}. It is a key parameter in characterizing the rate of convergence, analyzing system stability, and determining how tightly coupled the system's neutron fission is. The purpose of this paper is to investigate the system's unusually low dominance ratio of 0.632. This investigation varied the reactor's physical parameters, such as the fuel geometry, fuel density, and reflector thickness, and examined their impact on the reactor's dominance ratio. Additionally, this study examined neutronically similar systems in hopes of identifying common causes for systems with low dominance ratios. The reason why the dominance ratio of the reactor is small compared to larger thermal reactors was determined to be because of its significantly smaller geometry and the composition of the fuel plates. The reflector's effect on the dominance ratio is small in comparison to the other factors, but was found to have a non-zero effect. Furthermore, the AGN-201M was found to have a significantly lower dominance ratio than systems in which it shares a very high (c{sub k} >95%) degree of neutronic similarity.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Extremely Large Response of Phonon Coherence in Twisted Penta‐NiN 2 Bilayer

Abstract Twisting has recently been demonstrated as an effective strategy for tuning the interactions between particles or quasi‐particles in layered materials. Motivated by the recent experimental synthesis of pentagonal NiN 2 sheet [ACS Nano2021, 15, 13539], for the first time, the response of phonon coherence to twisting in bilayer penta‐NiN 2 , going beyond the particle‐like phonon transport is studied. By using the unified theory of phonon transport and high order lattice anharmonicity, together with the self‐consistent phonon theory, it is found that the lattice thermal conductivity is reduced by 80.6% from 33.35 to 6.47 W m −1 K −1 at 300 K when the layers are twisted. In particular, the contribution of phonon coherence is increased sharply by an order of magnitude, from 0.21 to 2.40 W m −1 K −1 , due to the reduced differences between the phonon frequencies and enhanced anharmonicity after the introduction of twist. The work provides a fundamental understanding of the phonon interaction in twisted pentagonal sheets.

Chemistry↗
NASA NTRS1998

Comminution of Aeolian Materials on Mars

The research task had a two-year performance period for the investigation of aeolian processes on Mars. Specifically, we were investigating the comminution of sand grains as individual particles, and as bulk populations. Laboratory experiment were completed for the individual particles, and results led to new theory for aeolian transport that is broadly applicable to all planetary surfaces. The theory was presented at the LPSC and the GSA in 1998 and 1997 respectively. Essentially, the new theory postulates that aeolian transport is dependent upon two motion thresholds- an aerodynamic threshold and a bed-dilatancy threshold.

Marshall, John R.↗
NASA NTRS1986

Consistent transport coefficients in astrophysics

A consistent theory for dealing with transport phenomena in stellar atmospheres starting with the kinetic equations and introducing three cases (LTE, partial LTE, and non-LTE) was developed. The consistent hydrodynamical equations were presented for partial-LTE, the transport coefficients defined, and a method shown to calculate them. The method is based on the numerical solution of kinetic equations considering Landau, Boltzmann, and Focker-Planck collision terms. Finally a set of results for the transport coefficients derived for a partially ionized hydrogen gas with radiation was shown, considering ionization and recombination as well as elastic collisions. The results obtained imply major changes is some types of theoretical model calculations and can resolve some important current problems concerning energy and mass balance in the solar atmosphere. It is shown that energy balance in the lower solar transition region can be fully explained by means of radiation losses and conductive flux.

Fontenla, Juan M.↗
DOE OSTI2020

Quantum Non-Equilibrium Dynamics Prediction of Electronic Transport Coefficients in Non-Linear Regimes

The goal of this work was to develop unique LLNL capabilities for the computational prediction of electrical, optical and thermal transport properties from quantum simulations. Using a recently developed theory of microscopic quantum transport, we were able to model compressed metallic hydrogen and it’s non-linear and out-of-equilibrium contributions in electrical and thermal transport. This theory was implemented in the open-source, real-space time-dependent density functional theory code Octopus. This model is general and widely applicable to high energy density systems that are important to LLNL and NNSA mission areas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Cosmic-ray transport in inhomogeneous media

A theory of cosmic-ray transport in multiphase diffusive media is developed, with the specific application to cases in which the cosmic-ray diffusion coefficient has large spatial fluctuations that may be inherently multiscale. We demonstrate that the resulting transport of cosmic rays is diffusive in the long-time limit, with an average diffusion coefficient equal to the harmonic mean of the spatially varying diffusion coefficient. Thus, cosmic-ray transport is dominated by areas of low diffusion even if these areas occupy a relatively small, but not infinitesimal, fraction of the volume. On intermediate time-scales, the cosmic rays experience transient effective subdiffusion, as a result of low-diffusion regions interrupting long flights through high-diffusion regions. In the simplified case of a two-phase medium, we show that the extent and extremity of the subdiffusivity of cosmic-ray transport is controlled by the spectral exponent of the distribution of patch sizes of each of the phases. We finally show that, despite strongly influencing the confinement times, the multiphase medium is only capable of altering the energy dependence of cosmic-ray transport when there is a moderate (but not excessive) level of perpendicular diffusion across magnetic-field lines.

Astronomy and Astrophysics↗
NASA NTRS1978

Transport properties in the atmosphere of Jupiter

The calculation of transport properties near the surface of a probe entering the atmosphere of Jupiter is discussed for (1) transport properties in the pure Jovian atmosphere, (2) transport properties for collisions between monatomic carbon atoms, including the effect of excited electronic states, (3) transport properties at the boundaries for mixing of the pure Jovian atmosphere and the atmosphere due to the injection of gaseous ablation products, and (4) transport properties for interactions involving some of the molecular ablation products. The transport properties were calculated using the kinetic theory of gases. Transport collision integrals were calculated for only a limited set of empirical and semiempirical interaction potentials. Since the accuracy of the fit of these empirical potentials to the true potential usually determines the accuracy of the calculation of the transport properties, the various interaction potentials used in these calculations are discussed.

Biolsi, L., Jr.↗
DOE OSTI2022

Time-dependent density functional theory of charge, energy, and spin transport, and quantum continuum mechanics (Final Report)

The overarching goal of this project, which unfolded over a period of seventeen years, including two no-cost extensions in the last two years, was to extend and deepen our ability to use time-dependent density functional theory and related theoretical methods for the description of the transport of charge, spin, or energy in quantum electronic systems at the nanoscale. The output of our efforts is contained in 52 papers, listed below, which we have published since 2006. There have also been many presentations at international conferences, workshops, colloquia and seminars. This body of work has been carried out with the essential input of 8 postdoctoral students (who were supported by the grant) and several external senior collaborators and their postdocs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Ion heat and parallel momentum transport by stochastic magnetic fields and turbulence

In this work, the theory of turbulent transport of parallel momentum and ion heat by the interaction of stochastic magnetic fields and turbulence is presented. Attention is focused on determining the kinetic stress and the compressive energy flux. A critical parameter is identified as the ratio of the turbulent scattering rate to the rate of parallel acoustic dispersion. For the parameter large, the kinetic stress takes the form of a viscous stress. For the parameter small, the quasilinear residual stress is recovered. In practice, the viscous stress is the relevant form, and the quasilinear limit is not observable. This is the principal prediction of this paper. A simple physical picture is developed and shown to recover the results of the detailed analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Transport Barriers in magnetized plasmas- general theory with dynamical constraints

Abstract A fundamental dynamical constraint—that fluctuation induced charge-weighted particle flux must vanish- can prevent instabilities from accessing the free energy in the strong gradients characteristic of Transport Barriers (TBs). Density gradients, when large enough, lead to a violation of the constraint and hence preclude unstable modes and turbulent transport. This mechanism, then, broadens the class of configurations (in magnetized plasmas) where these high confinement states can be formed and sustained. The need for velocity shear, the conventional agent for TB formation, is obviated. The most important ramifications of the constraint is to permit a charting out of the domains conducive to TB formation and hence to optimally confined fusion worthy states; the detailed investigation is conducted through new analytic methods and extensive gyrokinetic simulations.

Physics↗
DOE OSTI2020

Hydrodynamic electron transport near charge neutrality

We develop the theory of hydrodynamic electron transport in a long-range disorder potential for conductors in which the underlying electron liquid lacks Galilean invariance. For weak disorder, we express the transport coefficients of the system in terms of the intrinsic kinetic coefficients of the electron liquid and the correlation function of the disorder potential. We apply these results to analyze the doping and temperature dependence of transport coefficients of graphene devices. In this work, we show that at charge neutrality, long-range disorder increases the conductivity of the system above the intrinsic value. The enhancement arises from the predominantly vortical hydrodynamic flow caused by local deviations from charge neutrality. Its magnitude is inversely proportional to the shear viscosity of the electron liquid and scales as the square of the disorder correlation radius. This is qualitatively different from the situation away from charge neutrality. In that case, the flow is predominantly potential and produces negative viscous contributions to the conductivity, which are proportional to the sum of shear and bulk viscosities and inversely proportional to the square of disorder correlation radius.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Vapor Growth of ZnSe-based Compound Semiconductors in Low Gravity environment on International Space Station

Six low-gravity experiments of crystal growth of ZnSe-based compound semiconductors by physical vapor transport (PVT) are scheduled to be processed inside Low Gradient Furnace (LGF) on Materials Science Research Rack (MSRR) in Material Science Laboratory (MSL) on International Space Station (ISS) starting from February 27th, 2023. The flight samples consist of three unseeded growths of ZnSe, Cr-doped ZnSe and ZnSeTe as well as growth of ZnSe on top of three single crystal ZnSe seeds with orientation of (100), (110) and (111). The main scientific objective of the flight experiments is to establish the effects of gravity-driven fluid flows on Earth to (i) the non-uniform incorporation of impurities and defects and (ii) the deviation from stoichiometry observed in the grown crystals caused by growth interface fluctuations and evolution as the results of buoyancy-driven convection and irregular fluid-flows. The investigation will also evaluate the effects of gravity on the PVT process by examining (i) the growth kinetics on various seed orientations, (ii) the dopant segregation and distribution in the Cr doped ZnSe, and (iii) the compositional segregation and distribution in the ternary ZnSeTe crystal grown by PVT. Additionally, from X-ray diffraction/topography and by measuring the density and distribution of various crystalline defects it will assess the self-induced strain effects developed during processing at elevated temperatures caused by the weight of the crystals. During the ground-based preparations, the following tasks have been accomplished: • Establish the thermodynamic properties of the ZnSe binary and related ternary systems by measuring the partial pressures of the vapor phase coexisting with the condensed phases and perform phase diagram calculations for comparison. • Evaluate the effects of gravity-driven convection in the growth process by performing experiments under various vapor transport orientations relative to gravity vector, i.e., horizontal, vertically stabilized and destabilized configurations. • Establish a quantitative correlation between growth parameters and the characteristics and properties of the grown crystals by characterizing the crystals using a variety of techniques. • Evaluate the fundamentals of the current theories on vapor transport and crystal growth kinetics by performing in-situ and real-time monitoring techniques during growth. • Develop a one-dimensional diffusion limited theory of mass transport and two- and three-dimensional numerical simulations of both mass transport and heat transfer and thus establish the microgravity requirements for the flight experiments and to predict the characteristics of the grown crystals such as the solid-vapor interface shapes… etc. and establish a fundamental understanding of the crystal growth process from the comparison with experimental results.

ZnSe↗
DOE OSTI2024

Transport coefficients of warm dense matter from Kohn-Sham density functional theory

We present a comprehensive study of transport coefficients including DC electrical conductivity and related optical properties, electrical contribution to the thermal conductivity, and the shear viscosity via ab initio molecular dynamics and density functional theory calculations on the “priority 1” cases from the “Second Charged-Particle Transport Coefficient Workshop” [Stanek et al., Phys. Plasmas (to be published 2024)]. The purpose of this work is to carefully document the entire workflow used to generate our reported transport coefficients, up to and including our definitions of finite size and statistical convergence, extrapolation techniques, and choice of thermodynamic ensembles. In pursuit of accurate optical properties, we also present a novel, simple, and highly accurate algorithm for evaluating the Kramers–Kronig relations. These heuristics are often not discussed in the literature, and it is hoped that this work will facilitate the reproducibility of our data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A Stochastic Transport Model for the Cumulative Number of Fissions and Deposited Fission Energy

The stochastic theory of neutron transport is extended to describe the cumulative distribution of fission numbers and deposited fission energy in a multiplying assembly. Solutions for the probability distributions are obtained using analytical approximations and Monte Carlo simulation in lumped geometry and in symmetric homogeneous and heterogeneous spheres. The results show the development of a power-law tail in the steady state fission number and deposited energy distributions when the medium is critical, independent of the fission neutron multiplicity distribution and domain heterogeneity. In contrast, the asymptotic decay is faster than exponential in subcritical media due to rapid chain extinction and in supercritical media due to the increasing probability of chain divergence. Here, a formal asymptotic analysis of the problem in lumped geometry with an arbitrary fission neutron multiplicity confirms the existence of power-law tails at critical.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗