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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Standard Model thermodynamics across the electroweak crossover

Even though the Standard Model with a Higgs mass m{sub \tiny H}=125 GeV possesses no bulk phase transition, its thermodynamics still experiences a “soft point” at temperatures around T=160 GeV, with a deviation from ideal gas thermodynamics. Such a deviation may have an effect on precision computations of weakly interacting dark matter relic abundances if their mass is in the few TeV range, or on leptogenesis scenarios operating in this temperature range. By making use of results from lattice simulations based on a dimensionally reduced effective field theory, we estimate the relevant thermodynamic functions across the crossover. The results are tabulated in a numerical form permitting for their insertion as a background equation of state into cosmological particle production/decoupling codes. We find that Higgs dynamics induces a non-trivial “structure” visible e.g. in the heat capacity, but that in general the largest radiative corrections originate from QCD effects, reducing the energy density by a couple of percent from the free value even at T>160 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

CDAW 9 analysis of magnetospheric events on May 3, 1986 - Event C

An intense geomagnetic substorm event on May 3, 1986, occurring toward the end of a strong storm period, is studied. The auroral electrojet indices and global imaging data from both the Northern and Southern Hemispheres clearly revealed the growth phase and expansion phase development for a substorm with an onset at 0111 UT. An ideally located constellation of four spacecraft allowed detailed observation of the substorm growth phase in the near-tail region. A realistic time-evolving magnetic field model provided a global representation of the field configuration throughout the growth and early expansion phase of the substorm. Evidence of a narrowly localized substorm onset region in the near-earth tail is found. This region spread rapidly eastward and poleward after the 0111 UT onset. The results are consistent with a model of late growth phase formation of a magnetic neutral line. This reconnection region caused plasma sheet current diversion before the substorm onset and eventually led to cross-tail current disruption at the time of the substorm onset.

Baker, D. N.↗
DOE OSTI2011

Antiferromagnetic, metal-insulator, and superconducting phase transitions in underdoped cuprates: Slave-fermion t-J model in the hopping expansion

We study a system of doped antiferromagnet in three dimensions at finite temperatures using the t-J model, a canonical model of strongly correlated electrons. We employ the slave-fermion representation of electrons, in which an electron is described as a composite of a charged spinless holon and a chargeless spinon. We introduce two kinds of U(1) gauge fields on links as auxiliary fields, one describing resonating valence bonds of antiferromagnetic nearest-neighbor spin pairs and the other for nearest-neighbor hopping amplitudes of holons and spinons in the ferromagnetic channel. To perform a numerical study of the system, we integrate out the fermionic holon field by using the hopping expansion in powers of the hopping amplitude, which is legitimate for the region in and near the insulating phase. The resultant effective model is described in terms of bosonic spinons, two U(1) gauge fields, and a collective field for hole pairs. We study this model by means of Monte Carlo simulations, calculating the specific heat, spin correlation functions, and instanton densities. We obtain a phase diagram in the hole concentration-temperature plane, which is in good agreement with that observed recently for clean and homogeneous underdoped samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Experiments and CFD simulation of mass transfer and hydrodynamics in a cylindrical bubble column

Flow visualization, Particle Image Velocimetry (PIV) and dissolved oxygen charging experiments are carried out in a small-scale cylindrical air-water bubble column at different superficial gas velocities. Void fraction profile, total gas holdup, liquid phase velocity field and volumetric mass transfer coefficient are obtained. Details of each experiment are given, with a new procedure for obtaining a 2D void fraction profile from flow visualization by image processing and time averaging which could provide useful information for CFD model validation. The experimental results are analyzed and compared with simulations where good agreement is found for both local and global flow patterns. The averaged governing equations and constitutive relations used in the simulation are discussed briefly, with emphasis on the proper comparison between simulations and experiments based on the derivation of the two-fluid model. Finally, by conducting three sets of experiments related to phase distribution, velocity field and mass transfer in the same apparatus, a validated CFD model for multiphase mass transfer is established and can be used in the future design of a multi-phase reactor.

42 ENGINEERING↗
NASA NTRS1977

Assessment of analytical techniques for predicting solid propellant exhaust plumes

The calculation of solid propellant exhaust plume flow fields is addressed. Two major areas covered are: (1) the applicability of empirical data currently available to define particle drag coefficients, heat transfer coefficients, mean particle size and particle size distributions, and (2) thermochemical modeling of the gaseous phase of the flow field. Comparisons of experimentally measured and analytically predicted data are made. The experimental data were obtained for subscale solid propellant motors with aluminum loadings of 2, 10 and 15%. Analytical predictions were made using a fully coupled two-phase numerical solution. Data comparisons will be presented for radial distributions at plume axial stations of 5, 12, 16 and 20 diameters.

Tevepaugh, J. A.↗
DOE OSTI2020

Two dimensional topology optimization of heat exchangers with the volume fraction method

We perform a comparison study of two topology optimizations methods applied to the design of a two fluids heat exchanger modeled with a coupled thermal-flow problem. The flow follows an isothermal and incompressible Stokes-Brinkman equation and the heat transfer is governed by a convection-diffusion equation without internal generation and high Peclet number. To keep the two fluid phases separated, we solve two Stokes-Brinkman equations, where the Brinkman term models the other phase as a solid. These two velocity fields are then fed to the heat transfer equation. Our goal is to maximize the enthalpy at the cold outlet while constraining the pressure drop. We first solve the design modeling the solid and fluid phases with a volume fraction variable. A SIMP-like penalization in the Brinkman term drives the optimization to a discrete design. The cost and constraint function derivatives are calculated with the library pyadjoint and the optimization is performed by IPOPT. We present optimized designs in two dimensions and discuss the influence of the parameters.

Beck, VictorA.↗
DOE OSTI2016

Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon

We extend Expanded Wang-Landau (EWL) simulations beyond classical systems and develop the EWL method for systems modeled with a tight-binding Hamiltonian. We then apply the method to determine the partition function and thus all thermodynamic properties, including the Gibbs free energy and entropy, of the fluid phases of Si. We compare the results from quantum many-body (QMB) tight binding models, which explicitly calculate the overlap between the atomic orbitals of neighboring atoms, to those obtained with classical many-body (CMB) force fields, which allow to recover the tetrahedral organization in condensed phases of Si through, e.g., a repulsive 3-body term that favors the ideal tetrahedral angle. Along the vapor-liquid coexistence, between 3000 K and 6000 K, the densities for the two coexisting phases are found to vary significantly (by 5 orders of magnitude for the vapor and by up to 25% for the liquid) and to provide a stringent test of the models. Transitions from vapor to liquid are predicted to occur for chemical potentials that are 10%–15% higher for CMB models than for QMB models, and a ranking of the force fields is provided by comparing the predictions for the vapor pressure to the experimental data. QMB models also reveal the formation of a gap in the electronic density of states of the coexisting liquid at high temperatures. Subjecting Si to a nanoscopic confinement has a dramatic effect on the phase diagram with, e.g. at 6000 K, a decrease in liquid densities by about 50% for both CMB and QMB models and an increase in vapor densities between 90% (CMB) and 170% (QMB). The results presented here provide a full picture of the impact of the strategy (CMB or QMB) chosen to model many-body effects on the thermodynamic properties of the fluid phases of Si.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Baryogenesis in a CP invariant theory

We consider baryogenesis in a model which has a CP invariant Lagrangian, CP invariant initial conditions and does not spontaneously break CP at any of the minima. We utilize the fact that tunneling processes between CP invariant minima can break CP to implement baryogenesis. CP invariance requires the presence of two tunneling processes with opposite CP breaking phases and equal probability of occurring. In order for the entire visible universe to see the same CP violating phase, we consider a model where the field doing the tunneling is the inflaton.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Multiscale simulation of xenon diffusion and grain boundary segregation in UO₂

In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. The segregation rate is controlled by diffusion of fission gas atoms through the grains and interaction with the boundaries. Based on the mechanisms established from earlier density functional theory (DFT) and empirical potential calculations, diffusion models for xenon (Xe), uranium (U) vacancies and U interstitials in UO₂ have been derived for both intrinsic (no irradiation) and irradiation conditions. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model for the interaction between Xe atoms and three different grain boundaries in UO₂ (Σ5 tilt, Σ5 twist and a high angle random boundary), as derived from atomistic calculations. The present model does not attempt to capture nucleation or growth of fission gas bubbles at the grain boundaries. The point defect and Xe diffusion and segregation models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as to simulate Xe redistribution for a few simple microstructures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

w Mel replacement of dengue-competent mosquitoes is robust to near-term climate change

Rising temperatures are impacting the range and prevalence of mosquito-borne diseases. A promising biocontrol technology replaces wild mosquitoes with those carrying the virus-blocking Wolbachia bacterium. Because the most widely used strain, wMel, is adversely affected by heat stress, we examined how global warming may influence wMel-based replacement. We simulated interventions in two locations with successful field trials using Coupled Model Intercomparison Project Phase 5 climate projections and historical temperature records, integrating empirical data on wMel’s thermal sensitivity into a model of Aedes aegypti population dynamics to evaluate introgression and persistence over one year. We show that in Cairns, Australia, climatic futures necessitate operational adaptations for heatwaves exceeding two weeks. In Nha Trang, Vietnam, projected heatwaves of three weeks and longer eliminate wMel under the most stringent assumptions of that symbiont’s thermal limits. We conclude that this technology is generally robust to near-term (2030s) climate change. Accelerated warming may challenge this in the 2050s and beyond.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Origin of modulated phases and magnetic hysteresis in TmB 4

In this study, we investigate the low-temperature magnetic phases in TmB 4 , a metallic quantum magnet on the geometrically frustrated Shastry-Sutherland lattice, using coordinated experimental and theoretical studies. Our results provide an explanation for the appearance of the intriguing fractional plateau in TmB 4 and accompanying magnetic hysteresis. Together with observation of the bump in the half plateau, our results support the picture that the magnetization plateau structure in TmB 4 is strongly influenced by the zero-field modulated phases. We present a phenomenological model to explain the appearance of the modulated phases and a microscopic Hamiltonian that captures the complete magnetic behavior of TmB 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Simulation of xenon, uranium vacancy and interstitial diffusion and grain boundary segregation in UO 2

In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations 1, continuum models for diffusion of xenon (Xe), uranium (U) vacancies and U interstitials in UO 2 have been derived for both intrinsic conditions and under irradiation. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model for the interaction between Xe atoms and three different grain boundaries in UO 2 ( Σ5 tilt, Σ5 twist and a high angle random boundary),as derived from atomistic calculations. All models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as redistribution for a few simple microstructures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Derivation of effective fission gas diffusivities in UO2 from lower length scale simulations and implementation of fission gas diffusion models in BISON

This report summarizes the development of new fission gas diffusion models from lower length scale simulations and assessment of these models in terms of annealing experiments and fission gas release simulations using the BISON fuel performance code. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations, continuum models for diffusion of xenon (Xe) in UO 2 were derived for both intrinsic conditions and under irradiation. The importance of the large X eU 3 O cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequence of its high mobility and stability. These models were implemented in the MARMOT phase field code, which is used to calculate effective Xe diffusivities for various irradiation conditions. The effective diffusivities were used in BISON to calculate fission gas release for a number of test cases. The results are assessed against experimental data and future directions for research are outlined based on the conclusions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Flux effects in precipitation under irradiation simulation of Fe-Cr alloys

Radiation-enhanced precipitation of Cr-rich α’ in irradiated Fe-Cr alloys, which results in hardening and embrittlement, depends on the irradiating particle and the displacement per atom (dpa) rate. Here, we utilize a Cahn-Hilliard phase-field based approach, that includes simple models for nucleation, irradiating particle and rate dependent radiation-enhanced diffusion and cascade mixing to simulate α’ evolution under neutrons, heavy ions, and electron irradiations. Different irradiating particles manifest very different cascade mixing efficiencies. The model was calibrated using neutron data. For cascade inducing neutron/heavy-ion dpa rates at 300 °C between 10-8 and 10-6 dpa/s the model predicts approximately constant number density, decreasing radius, decreasing α’ Cr composition, and lower α’ volume fraction. The model then predicts a dramatic transition to no α’ formation above approximately 10-5 dpa/s, while electron irradiation, with weak mixing, had little effect at dpa rates up to 10-3 dpa/s. These model predictions are consistent with experiments. We explain the results in terms of the flux dependence of the radiation enhanced diffusion, cascade mixing, and their ratio, which all vary significantly in relevant flux ranges for neutron and cascade inducing ion irradiations. These results show that both cascade mixing and radiation enhanced diffusion must be accounted for when attempting to emulate neutron-irradiation effects using accelerated ion irradiations.

Ke, Jia-Hong↗
NASA NTRS1984

Numerical simulation of reconnection in an emerging magnetic flux region

Numerical solutions in two dimensions are presented for the resistive MHD equations of an initial boundary value problem, simulating reconnection between an emerging magnetic flux region and an overlying coronal magnetic field. This numerical model displays four main phases, which are interpreted in terms of (1) a slowly evolving quasi-steady phase during which most of the magnetic flux emerges, with approximate equilibrium between magnetic and pressure forces; (2) an impulsive phase in which either the reconnection or continuing emergence of the first phase comes to disrupt the equilibrium, and extensive acceleration occurs as the high pressure region within the emerging region drives the fluid upwards and outwards; (3) a second quasi-steady phase; and (4) a potential-static phase in which continuing reconnection, ohmic dissipation, and fluid transport through boundaries depletes the system of all currents and flows.

Forbes, T. G.↗
DOE OSTI2016

Preliminary Modeling of Accident Tolerant Fuel Concepts under Accident Conditions

The catastrophic events that occurred at the Fukushima-Daiichi nuclear power plant in 2011 have led to widespread interest in research of alternative fuels and claddings that are proposed to be accident tolerant. Thus, the United States Department of Energy through its NEAMS (Nuclear Energy Advanced Modeling and Simulation) program has funded an Accident Tolerant Fuel (ATF) High Impact Problem (HIP). The ATF HIP is funded for a three-year period. The purpose of the HIP is to perform research into two potential accident tolerant concepts and provide an in-depth report to the Advanced Fuels Campaign (AFC) describing the behavior of the concepts, both of which are being considered for inclusion in a lead test assembly scheduled for placement into a commercial reactor in 2022. The initial focus of the HIP is on uranium silicide fuel and iron-chromium-aluminum (FeCrAl) alloy cladding. Utilizing the expertise of three national laboratory participants (INL, LANL, and ANL) a comprehensive mulitscale approach to modeling is being used including atomistic modeling, molecular dynamics, rate theory, phase-field, and fuel performance simulations. In this paper, we present simulations of two proposed accident tolerant fuel systems: U3Si2 fuel with Zircaloy-4 cladding, and UO2 fuel with FeCrAl cladding. The simulations investigate the fuel performance response of the proposed ATF systems under Loss of Coolant and Station Blackout conditions using the BISON code. Sensitivity analyses are completed using Sandia National Laboratories’ DAKOTA software to determine which input parameters (e.g., fuel specific heat) have the greatest influence on the output metrics of interest (e.g., fuel centerline temperature). Early results indicate that each concept has significant advantages as well as areas of concern. Further work is required prior to formulating the proposition report for the Advanced Fuels Campaign.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Pore‐Scale Modeling of Reactive Transport with Coupled Mineral Dissolution and Precipitation

Abstract We present a new pore‐scale model for multicomponent advective‐diffusive transport with coupled mineral dissolution and precipitation. Both dissolution and precipitation are captured simultaneously by introducing a phase transformation vector field representing the direction and magnitude of the overall phase change. An effective viscosity model is adopted in simulating fluid flow during mineral dissolution‐precipitation that can accurately capture the velocity field without introducing any empirical parameters. The proposed approach is validated against analytical solutions and interface tracking simulations in simplified structures. After validation, the proposed approach is employed in modeling realistic rocks where mineral dissolution and precipitation are dominant at different locations. We have identified three regimes for mineral dissolution‐precipitation coupling: (a) compact dissolution‐precipitation where dissolution is dominant near the inlet and precipitation is dominant near the outlet, (b) wormhole dissolution with clustered precipitation where dissolution generates wormholes in the main flow paths and precipitation clogs the secondary flow paths, and (c) dissolution dominant where all solid grains are gradually dissolved. In the three regimes, the proposed approach provides reliable porosity‐permeability relationships that cannot be described well by traditional macroscale models. We find that the permeability can increase while the overall porosity decreases when the main flow paths are expanded by dissolution and adjacent pore spaces are clogged by precipitation.

58 GEOSCIENCES↗