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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

In situ synchrotron powder diffraction study of the setting reaction kinetics of magnesium-potassium phosphate cements

This work reports a kinetic study of the formation of magnesium-potassium phosphate cements accomplished using in-situ synchrotron powder diffraction. The reaction: MgO + KH{sub 2}PO{sub 4} + 5H{sub 2}O → MgKPO{sub 4} · 6H{sub 2}O was followed in situ in the attempt of contributing to explain the overall mechanism and assess the influence of periclase (MgO) grain size and calcination temperature (1400-1600 °C) on the reaction kinetics. Numerical kinetic parameters for the setting reaction have been provided for the first time. The best fit to the kinetic data was obtained using a weighted nonlinear model fitting method with two kinetic equations, representing two consecutive, partially overlapping processes. MgO decomposition could be described by a first order (F1) model followed by a Jander diffusion (D3) controlled model. Crystallization of the product of reaction was modelled using an Avrami model (A{sub n}) followed by a first order (F1) chemical reaction. A reaction mechanism accounting for such results has been proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

One-sweep moment-based semi-implicit-explicit integration for gray thermal radiation transport

Thermal radiation transport (TRT) is a time dependent, high dimensional partial integro-differential equation. In practical applications such as inertial confinement fusion, TRT is coupled to other physics such as hydrodynamics, plasmas, etc., and the timescales one is interested in capturing are often much slower than the radiation timescale. As a result, TRT is treated implicitly, and due to its stiffness and high dimensionality, is often a dominant computational cost in multiphysics simulations. Here we develop a new approach for implicit-explicit (IMEX) integration of gray TRT in the deterministic SN setting, which requires only one sweep per stage, with the simplest first-order method requiring only one sweep per time step. The partitioning of equations is done via a moment-based high-order low-order formulation of TRT, where the streaming operator and first two moments are used to capture the asymptotic stiff regimes of the streaming limit and diffusion limit. Absorption-reemission is treated explicitly, and although stiff, is sufficiently damped by the implicit solve that we achieve stable accurate time integration without incorporating the coupling of the high order and low order equations implicitly. Due to nonlinear coupling of the high-order and low-order equations through temperature-dependent opacities, to facilitate IMEX partitioning and higher-order methods, we use a semi-implicit integration approach amenable to nonlinear partitions. In conclusion, results are demonstrated on thick Marshak and crooked pipe benchmark problems, demonstrating orders of magnitude improvement in accuracy and wallclock compared with the standard first-order implicit integration typically used.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Magneto-thermal reconnection processes, related mode momentum and formation of high energy particle populations

In the context of a two-fluid theory of magnetic reconnection, when the longitudinal electron thermal conductivity is relatively large, the perturbed electron temperature tends to become singular in the presence of a reconnected field component and an electron temperature gradient. A finite transverse thermal diffusivity removes this singularity while a finite ‘inductivity’ can remove the singularity of the relevant plasma displacement. Then (i) a new ‘magneto-thermal’ reconnection producing mode, is found with characteristic widths of the reconnection layer remaining significant even when the macroscopic distances involved are very large; (ii) the mode phase velocities can be both in the direction of the electron diamagnetic velocity as well in the opposite (ion) direction. A numerical solution of the complete set of equations has been carried out with a simplified analytical reformulation of the problem. A sequence of processes is analyzed to point out that high-energy particle populations can be produced as a result of reconnection events. These processes involve mode-particle resonances transferring energy of the reconnecting mode to a superthermal ion population and the excitation of lower hybrid waves that can lead to a significant superthermal electron population. The same modes excited in axisymmetric (e.g. toroidal) confinement configurations can extract angular momentum from the main body of the plasma column and thereby sustain a local ‘spontaneous rotation’ of it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Laser powder bed fusion of Inconel 718 on 316 stainless steel

The joining of Inconel 718 and 316 stainless steel has notable industrial importance. However, traditional arc-welding has many issues. In particular, the formation of the detrimental Nb-rich Laves phase in the heat affected zone can promote crack initiation and propagation, which leads to poor mechanical properties. The small heat input and the rapid solidification of laser powder bed fusion (PBF) has the potential to suppress this problem. Despite the infancy of the multi-material PBF, it is of interest to investigate the relationship among the process parameter, the microstructure at the materials joining point, and the mechanical performance. In this study, we used high-speed x-ray imaging to in-situ monitor the printing of Inconel 718 tracks on a 316H SS substrate via laser powder bed fusion, followed by post-build characterization and testing with SEM, XRD and nanoindentation. We observed that a higher linear energy density resulted in a more diffused interface and a smaller compositional gradient, but as a trade-off, generated more keyhole pores and thermal cracks. Furthermore, we also showed that the built layer exhibited chemical inhomogeneity at two length scales: a tens-of-mu m-scale compositional vortex due to the melt flow, and a sub-mu m-scale Nb-rich dendritic structure due to the non-equilibrium solidification that led to the formation of the Laves phase. It was inferred that the chemical inhomogeneity may benefit the mechanical properties at the interface by providing more interlocking between the two materials and also by limiting the effect of the brittle Laves phase to potentially short range.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The nature of dynamic local order in CH 3 NH 3 PbI 3 and CH 3 NH 3 PbBr 3

Hybrid organic-inorganic lead-halide perovskites (LHPs) are a class of semiconductors with remarkable properties relevant to optoelectronic applications. The structure-property-function relationship in LHPs, however, is poorly understood, leading to incomplete descriptions of optoelectronic properties and a persistent problem of device degradation due to ion migration. Here, we reveal the true structure to contain an assembly of dynamic, two-dimensional short-range structural correlations in the lead-halide octahedral sublattice, with additional correlations between organic molecules. Here, we propose that these correlations are the origin of large-amplitude halide displacements, which govern charge carrier mobility and the sharpness of the absorption edge. Correlations between organic molecules may introduce regions of transient ferroelectricity or antiferroelectricity, which increase charge carrier lifetime. Finally, the correlations introduce an ion diffusion barrier that is static on the timescale of diffusive jumps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A unified radiative magnetohydrodynamics code for lightning-like discharge simulations

A two-dimensional Eulerian finite difference code is developed for solving the non-ideal magnetohydrodynamic (MHD) equations including the effects of self-consistent magnetic field, thermal conduction, resistivity, gravity, and radiation transfer, which when combined with specified pulse current models and plasma equations of state, can be used as a unified lightning return stroke solver. The differential equations are written in the covariant form in the cylindrical geometry and kept in the conservative form which enables some high-accuracy shock capturing schemes to be equipped in the lightning channel configuration naturally. In this code, the 5-order weighted essentially non-oscillatory scheme combined with Lax-Friedrichs flux splitting method is introduced for computing the convection terms of the MHD equations. The 3-order total variation diminishing Runge-Kutta integral operator is also equipped to keep the time-space accuracy of consistency. The numerical algorithms for non-ideal terms, e.g., artificial viscosity, resistivity, and thermal conduction, are introduced in the code via operator splitting method. This code assumes the radiation is in local thermodynamic equilibrium with plasma components and the flux limited diffusion algorithm with grey opacities is implemented for computing the radiation transfer. The transport coefficients and equation of state in this code are obtained from detailed particle population distribution calculation, which makes the numerical model is self-consistent. This code is systematically validated via the Sedov blast solutions and then used for lightning return stroke simulations with the peak current being 20 kA, 30 kA, and 40 kA, respectively. The results show that this numerical model consistent with observations and previous numerical results. The population distribution evolution and energy conservation problems are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Evolution of the marker distribution in gyrokinetic $δf$ particle-in-cell simulations

The evolution of the particle weight in a δf particle-in-cell simulation depends on the marker distribution that can evolve in a turbulent field due to turbulent diffusion. When Monte Carlo methods are used to implement the test particle collision operator, or when the particle motion is not strictly Hamiltonian in a collisionless simulation, the marker distribution will evolve along the particle trajectory and, in general, cannot be known exactly. A two-dimensional numerical marker distribution is proposed as an approximation. It is shown to be advantageous over other common methods for evaluating the marker distribution in long-time turbulence simulations. A generalized two-weight δf-method is proposed to mitigate the marker evolution problem.

, Monte Carlo methods↗
DOE OSTI2013

Arbitrary amplitude magnetosonic solitary and shock structures in spin quantum plasma

A nonlinear analysis is carried out for the arbitrary amplitude magnetosonic solitary and shock structures in spin quantum plasmas. A quantum magnetohydrodynamic model is used to describe the magnetosonic quantum plasma with the Bohm potential and the pressure like spin force for electrons. Analytical calculations are used to simplify the basic equations, which are then studied numerically. It is shown that the magnetic diffusivity is responsible for dissipation, which causes the shock-like structures rather than the soliton structures. Additionally, wave speed, Zeeman energy, and Bohm potential are found to have significant impact on the shock wave structures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Implementation and evaluation of permeability-porosity and tortuosity-porosity relationships linked to mineral dissolution-precipitation

Changes of porosity, permeability, and tortuosity due to physical and geochemical processes are of vital importance for a variety of hydrogeological systems, including passive treatment facilities for contaminated groundwater, engineered barrier systems (EBS), and host rocks for high-level nuclear waste (HLW) repositories. Due to the nonlinear nature and chemical complexity of the problem, in most cases, it is impossible to verify reactive transport codes analytically, and code intercomparisons are the most suitable method to assess code capabilities and model performance. This paper summarizes model intercomparisons for six hypothetical scenarios with generally increasing geochemical or physical complexity using the reactive transport codes CrunchFlow, HP1, MIN 3 P, PFlotran, and TOUGHREACT. Benchmark problems include the enhancement of porosity and permeability through mineral dissolution, as well as near complete clogging due to localized mineral precipitation, leading to reduction of permeability and tortuosity. Processes considered in the benchmark simulations are advective-dispersive transport in saturated media, kinetically controlled mineral dissolution-precipitation, and aqueous complexation. Porosity changes are induced by mineral dissolution-precipitation reactions, and the Carman-Kozeny relationship is used to describe changes in permeability as a function of porosity. Archie’s law is used to update the tortuosity and the pore diffusion coefficient as a function of porosity. Results demonstrate that, generally, good agreement is reached amongst the computer models despite significant differences in model formulations. As a result, some differences are observed, in particular for the more complex scenarios involving clogging; however, these differences do not affect the interpretation of system behavior and evolution.

58 GEOSCIENCES↗
DOE OSTI2019

Revisiting the Analytical Solutions of Heat Transport in Fractured Reservoirs Using a Generalized Multirate Memory Function

Numerous analytical solutions have been developed for modeling thermal perturbations to underground formations caused by deep-well injection of fluids. Each solution has been derived for a specific boundary value problem and a simplified flow network with one set of parallel fractures. In this paper, new generalized solutions G*( x, s ) are developed using (existing) global transfer functions G$^*_0(x,s)$ and a new memory function g*( s ), where x and s are the space and Laplace variable. The memory function represents the solutions of conductive heat exchange between fractures and matrix blocks and between fractured aquifers and unfractured aquitards. The memory function is developed to account for multirate exchange induced by different shapes, sizes, properties, and volumetric fractions of matrix blocks bounded by multiple sets of orthogonal fractures with different spacing. The global transfer functions represent the fundamental solutions to convective, convective-conductive, and convective-dispersive heat transport in fractures (or aquifers) without exchange and are available for various (1-D linear, 1-D radial, 2-D dipole, and single-well injection-withdrawal) flow fields. The new solutions with exchange are developed using $G^*(x,s) = B^*(s)G^*_0{x, s[1 + Θg^*(s)]}$, thereby greatly simplifying solution development in a novel way, where Θ and B*( s ) are a fracture-matrix scaling factor and the boundary condition function. As a result, the new solutions are applied to several example problems, showing that heat transport in fractured aquifers is significantly impacted by (1) thermal dispersion in fractures that is rarely considered, (2) multirate heat exchange with a wide range of size and anisotropy of rectangular matrix blocks, and (3) heat exchange between aquifers and aquitards.

58 GEOSCIENCES↗
DOE OSTI2014

Fluorescence resonance energy transfer measured by spatial photon migration in CdSe-ZnS quantum dots colloidal systems as a function of concentration

The study of the spatial photon migration as a function of the concentration brings into attention the problem of the energy transfer in quantum dot embedded systems. By measuring the photon propagation and its spatial dependence, it is possible to understand the whole dynamics in a quantum dot system, and also improve their concentration dependence to maximize energy propagation due to radiative and non-radiative processes. In this work, a confocal microscope was adapted to scan the spatial distribution of photoluminescence from CdSe-ZnS core-shell quantum dots in colloidal solutions. The energy migration between the quantum dots was monitored by the direct measurement of the photon diffusion length, according to the diffusion theory. We observed that the photon migration length decreases by increasing the quantum dot concentration, this kind of behavior has been regarded as a signature of Förster resonance energy transfer in the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Microturbulence studies of pulsed poloidal current drive discharges in the reversed field pinch

Experimental discharges with pulsed poloidal current drive (PPCD) in the Madison Symmetric Torus reversed field pinch are investigated using a semi-analytic equilibrium model in the gyrokinetic turbulence code GENE. PPCD cases, with plasma currents of 500 kA and 200 kA, exhibit a density-gradient-driven trapped electron mode (TEM) and an ion temperature gradient mode, respectively. Relative to expectations of tokamak core plasmas, the critical gradients for the onset of these instabilities are found to be greater by roughly a factor of the aspect ratio. A significant upshift in the nonlinear TEM transport threshold, previously found for tokamaks, is confirmed in nonlinear reversed field pinch simulations and is roughly three times the threshold for linear instability. The simulated heat fluxes can be brought in agreement with measured diffusivities by introducing a small, resonant magnetic perturbation, thus modeling the residual fluctuations from tearing modes. These fluctuations significantly enhance transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Centrifugal particle confinement in mirror geometry

The use of supersonic rotation of a plasma in mirror geometry has distinct advantages for thermonuclear fusion. The device is steady state, there are no disruptions, the loss cone is almost closed, sheared rotation stabilizes magnetohydrodynamic instabilities as well as plasma turbulence, there are no runaway electrons, and the coil configuration is simple. In this work, we examine the effect of rotation on mirror confinement using a full cyclotron orbit code. The full cyclotron simulations give a much more complete description of the particle energy distribution and losses than the use of guiding center equations. Both collisionless loss as a function of rotation and the effect of collisions are investigated. Although the cross field diffusion is classical, we find that the local rotating Maxwellian is increased to higher energy, increasing the fusion rate and also enhancing the radial diffusion. We find a loss channel not envisioned with a guiding center treatment, but a design can be chosen that can satisfy the Lawson criterion for ions. Of course, the rotation has a minimal effect on the alpha particle birth distribution, so there is initially loss through the usual loss cone, just as in a mirror with no rotation. However after this loss, the alphas slow down on the electrons with little pitch angle scattering until reaching low energy, so over half of the initial alpha energy is transferred to the electrons. The important problem of energy confinement, with losses primarily through the electron channel, is not addressed in this work. In conclusion, we also discuss the use of rotating mirror geometry to produce an ion thruster.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Surrogate Model Development of Spent Fuel Degradation for Repository Performance Assessment

In model simulations of deep geologic repositories, UO 2 fuel matrix degradation typically begins as soon as the waste package breaches and groundwater contacts the fuel surface. The initial degradation rate depends on the timing of these events, burnup of the fuel, temperature, and concentrations of dissolved reactants. Estimating the initial rate of degradation is fairly straightforward, but as UO 2 corrosion products precipitate on the fuel surface and the movement of dissolved species between the fuel surface and environment is impeded by the precipitated solids, the rate is more difficult to quantify. At that point, calculating the degradation rate becomes a reactive-transport problem in which a large number of equations must be solved by iteration for a large number of grid cells at each time step. The consequence is that repository simulations, which are already expensive, become much more expensive, especially when hundreds or thousands of waste packages breach. The Fuel Matrix Degradation (FMD) model is the process model of the Spent Fuel and Waste Science and Technology (SFWST) campaign of the US Department of Energy (DOE). It calculates spent fuel degradation rates as a function of radiolysis, redox reactions, electrochemical reactions, alteration layer growth, and diffusion of reactants through the alteration layer. Like other similar fuel degradation process models, it is a complicated model requiring a large number of calculations and iterations at each time step.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

NECP-Cypress: Development and Benchmarking of a 3D PWR Core-Analysis Code

As one of the key components of nuclear reactor design and safety analysis software for Pressurized Water Reactor (PWR), the advance of the core-analysis code indicates the nuclear power development of the corresponding country. Hence, Nuclear Engineering Computational Physics Lab. (NECP) developed a PWR core-analysis code NECP-Cypress. Currently, it contains several modules including a generalized cross section module, a diffusion module using the Variational Nodal Method (VNM), a depletion-calculation using the traditional macroscopic module, a thermal-hydraulics module solving the single channel heat transfer equation and 1D heat conduction equation. With the VNM employed, NECP-Cypress can eliminate the control rod cusping effect and provide a better pin power reconstruction. In this paper, we firstly introduce the modules of the code NECP-Cypress. Secondly, two large-scale PWR core benchmarks were employed to demonstrate the ability of the code by comparing with SIMULATE-3, including the BEAVRS problem and a pseudo CAP1400 reactor core problem. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Nonintrusive manufactured solutions for ablation

The study of heat transfer and ablation plays an important role in many problems of scientific and engineering interest. As with the computational simulation of any physical phenomenon, the first step toward establishing credibility in ablation simulations involves code verification. Code verification is typically performed using exact and manufactured solutions. However, manufactured solutions generally require the invasive introduction of an artificial forcing term within the source code such that the code solves a modified problem for which the solution is known. In this paper, we present a nonintrusive method for manufacturing solutions for a non-decomposing ablation code, which does not require the addition of a source term.

42 ENGINEERING↗
DOE OSTI2018

A microscopic model for an emergent cosmological constant

In this work, the value of the cosmological constant is explained in terms of a noisy diffusion of energy from the low energy particle physics degrees of freedom to the fundamental Planckian granularity which is expected from general arguments in quantum gravity. The quantitative success of our phenomenological model is encouraging and provides possibly useful insights about physics at the scale of quantum gravity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A stochastic extension of the explicit algebraic subgrid-scale models

The explicit algebraic subgrid-scale (SGS) stress model (EASM) of Marstorp et al. [“Explicit algebraic subgrid stress models with application to rotating channel flow,” J. Fluid Mech. 639, 403–432 (2009)] and explicit algebraic SGS scalar flux model (EASFM) of Rasam et al. [“An explicit algebraic model for the subgrid-scale passive scalar flux,” J. Fluid Mech. 721, 541–577 (2013)] are extended with stochastic terms based on the Langevin equation formalism for the subgrid-scales by Marstorp et al. [“A stochastic subgrid model with application to turbulent flow and scalar mixing,” Phys. Fluids 19, 035107 (2007)]. The EASM and EASFM are nonlinear mixed and tensor eddy-diffusivity models, which improve large eddy simulation (LES) predictions of the mean flow, Reynolds stresses, and scalar fluxes of wall-bounded flows compared to isotropic eddy-viscosity and eddy-diffusivity SGS models, especially at coarse resolutions. The purpose of the stochastic extension of the explicit algebraic SGS models is to further improve the characteristics of the kinetic energy and scalar variance SGS dissipation, which are key quantities that govern the small-scale mixing and dispersion dynamics. LES of turbulent channel flow with passive scalar transport shows that the stochastic terms enhance SGS dissipation statistics such as length scale, variance, and probability density functions and introduce a significant amount of backscatter of energy from the subgrid to the resolved scales without causing numerical stability problems. The improvements in the SGS dissipation predictions in turn enhances the predicted resolved statistics such as the mean scalar, scalar fluxes, Reynolds stresses, and correlation lengths. Moreover, the nonalignment between the SGS stress and resolved strain-rate tensors predicted by the EASM with stochastic extension is in much closer agreement with direct numerical simulation data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗