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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A reduced-order model of concentration polarization in reverse osmosis systems with feed spacers

Feed spacers in reverse osmosis systems generate complex fluid flows that limit computational fluid dynamics (CFD) simulations to small length and time scales. That limits our ability to simulate mineral scaling and other membrane fouling phenomena, which occur over longer length and time scales. Thus motivated, we develop a reduced model that replaces the CFD simulation of the velocity field with an analytical model that mimics spacers. This focuses the remaining numerical effort on simulating the advection–diffusion equation governing solute transport. We motivate and validate the model with CFD simulations and bench-scale experiments of spacer filaments in three different arrangements, including cases of unsteady vortex shedding. We show that the model produces a roughly 10,000-fold speedup compared to CFD, and accurately reproduces CFD predictions of not only the average and maximum concentrations, but also the local concentration distribution along the membrane. Here, we also demonstrate the model for simulating a feed channel with a length-to-height ratio of 200. The model provides a simple testbed for exploratory studies of multispecies transport, precipitation, and membrane fouling phenomena for which simulating spacers is often prohibitive.

Computational fluid dynamics↗
DOE OSTI2021

Investigation of neutron noise in a micro-scale, natural circulation molten salt fission battery system

The Molten Salt Reactor (MSR) concept is a rapidly evolving Generation IV design that has recently attracted favorable attention due to the potential for reducing waste generation, realizing passive safety features, and seizing on the opportunity for cost effective economics. A specific novel micro-MSR, natural circulation, battery design concept involves placing all primary components within a single reactor vessel containment without the need of primary forced pumping. This small modular, integral design presents potential cost savings while producing safety, reliable, and transportable carbon-free power for decades. This investigation evaluates the neutron noise induced by density and flow fluctuations in a natural circulation MSR battery concept being developed at the University of Idaho. This study finds numerical solutions to the one-dimensional, one-group, coupled diffusion equations for a bare, homogeneous core, and evaluates neutron flux and delayed neutron precursor concentration noise due to core flow and fuel salt density perturbation sources. Noise analysis shows both point kinetic and space-dependent behavior is present despite the small size, low-flow, closely-coupled nature of the natural circulation MSR concept. Analysis shows that the low flow of the convective system results in noise behavior typically representative of a larger forced-circulation MSR system. Finally, noise techniques may also be useful in MSR core diagnostics as a non-invasive, low-cost radiological option to traditional monitoring schemes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

CFD-DEM solution verification: Fixed-bed studies

Fixed (frozen) particle configurations are used to study CFD-DEM convergence behavior in the limit of infinite grid resolution. A filtering scheme based on solving a diffusion equation, i.e., a Gaussian kernel, is used to interpolate particle information to the continuum grid, free of cell size limitations. A regression method is used for Richardson extrapolation of the discrete solutions to the grid-free solution. The regression method is shown to predict accurate extrapolation curves in the presence of the observed oscillatory convergence behavior. The extrapolation curve is used to complete the solution verification process by quantifying the numerical uncertainty present in the calculations. Several numerical and model parameters are studied including the spatial discretization method, the kernel width and the mean drag law. Here, a manageable level of discretization error is found with relative discretization errors generally <4%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A model for simulating adaptive, dynamic flows on networks: Application to petroleum infrastructure

Simulation models can greatly improve decisions meant to control the consequences of disruptions to critical infrastructures. We describe a dynamic flow model on networks purposed to inform analyses by those concerned about consequences of disruptions to infrastructures and to help policy makers design robust mitigations. We conceptualize the adaptive responses of infrastructure networks to perturbations as market transactions and business decisions of operators. We approximate commodity flows in these networks by a diffusion equation, with nonlinearities introduced to model capacity limits. To illustrate the behavior and scalability of the model, we show its application first on two simple networks, then on petroleum infrastructure in the United States, where we analyze the effects of a hypothesized earthquake.

02 PETROLEUM↗
DOE OSTI2023

Differentiating Thermal Conductances at Semiconductor Nanocrystal/Ligand and Ligand/Solvent Interfaces in Colloidal Suspensions

Infrared-pump, electronic-probe (IPEP) spectroscopy is used to measure heat flow into and out of CdSe nanocrystals suspended in an organic solvent, where the surface ligands are initially excited with an infrared pump pulse. Subsequently, the heat is transferred from the excited ligands to the nanocrystals and in parallel to the solvent. Parallel heat transfer in opposite directions uniquely enables us to differentiate the thermal conductances at the nanocrystal/ligand and ligand/solvent interfaces. Using a novel solution to the heat diffusion equation, we fit the IPEP data to find that the nanocrystal/ligand conductances range from 88 to 135 MW m –2 K –1 and are approximately 1 order of magnitude higher than the ligand/solvent conductances, which range from 7 to 26 MW m –2 K –1 . Transient nonequilibrium molecular dynamics (MD) simulations of nanocrystal suspensions agree with IPEP data and show that ligands bound to the nanocrystal by bidentate bonds have more than twice the per-ligand conductance as those bound by monodentate bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Super-diffusion of excited carriers in semiconductors

The ultrafast spatial and temporal dynamics of excited carriers are important to understanding the response of materials to laser pulses. Here we use scanning ultrafast electron microscopy to image the dynamics of electrons and holes in silicon after excitation with a short laser pulse. We find that the carriers exhibit a diffusive dynamics at times shorter than 200 ps, with a transient diffusivity up to 1,000 times higher than the room temperature value, D 0 ≈30 cm 2 s –1 . The diffusivity then decreases rapidly, reaching a value of D 0 roughly 500 ps after the excitation pulse. We attribute the transient super-diffusive behaviour to the rapid expansion of the excited carrier gas, which equilibrates with the environment in 100–150 ps. Numerical solution of the diffusion equation, as well as ab initio calculations, support our interpretation. Lastly, our findings provide new insight into the ultrafast spatial dynamics of excited carriers in materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Light-trapping and recycling for extraordinary power conversion in ultra-thin gallium-arsenide solar cells

Here, we demonstrate nearly 30% power conversion efficiency in ultra-thin (~200 nm) gallium arsenide photonic crystal solar cells by numerical solution of the coupled electromagnetic Maxwell and semiconductor drift-diffusion equations. Our architecture enables wave-interference-induced solar light trapping in the wavelength range from 300-865 nm, leading to absorption of almost 90% of incoming sunlight. Our optimized design for 200 nm equivalent bulk thickness of GaAs, is a square-lattice, slanted conical-pore photonic crystal (lattice constant 550 nm, pore diameter 600 nm, and pore depth 290 nm), passivated with AlGaAs, deposited on a silver back-reflector, with ITO upper contact and encapsulated with SiO 2 . Our model includes both radiative and non-radiative recombination of photo-generated charge carriers. When all light from radiative recombination is assumed to escape the structure, a maximum achievable photocurrent density (MAPD) of 27.6 mA/cm 2 is obtained from normally incident AM 1.5 sunlight. For a surface non-radiative recombination velocity of 10 3 cm/s, this corresponds to a solar power conversion efficiency of 28.3%. When all light from radiative recombination is trapped and reabsorbed (complete photon recycling) the power conversion efficiency increases to 29%. If the surface recombination velocity is reduced to 10 cm/sec, photon recycling is much more effective and the power conversion efficiency reaches 30.6%.

14 SOLAR ENERGY↗
DOE OSTI2017

Inferring morphology and strength of magnetic fields from proton radiographs

Proton radiography is an important diagnostic method for laser plasma experiments and is particularly important in the analysis of magnetized plasmas. The theory of radiographic image analysis has heretofore only permitted somewhat limited analysis of the radiographs of such plasmas. We furnish here a theory that remedies this deficiency. We show that to linear order in magnetic field gradients, proton radiographs are projection images of the MHD current along the proton trajectories. We demonstrate that in the linear regime (i.e., the small image contrast regime), the full structure of the projected perpendicular magnetic field can be reconstructed by solving a steady-state inhomogeneous 2-dimensional diffusion equation sourced by the radiograph fluence contrast data. Here, we explore the validity of the scheme with increasing image contrast, as well as limitations of the inversion method due to the Poisson noise, discretization errors, radiograph edge effects, and obstruction by laser target structures. We also provide a separate analysis that is suited to the inference of isotropic-homogeneous magnetic turbulence spectra. Finally, we discuss extension of these results to the nonlinear regime (i.e., the order unity image contrast regime).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Calculating RF current condensation with consistent ray-tracing and island heating

Finally, by exploiting the nonlinear amplification of the power deposition of RF waves, current condensation promises new pathways to the stabilization of magnetic islands. We present a numerical analysis of current condensation, coupling a geometrical optics treatment of wave propagation and damping to a thermal diffusion equation solver in the island. Taking into account the island geometry and relativistic damping, previous analytical theory can be made more precise and specific scenarios can be realistically predicted. With this more precise description, bifurcations and associated hysteresis effects could be obtained in an ITER-like scenario at realistic parameter values. Moreover, it is shown that dynamically varying the RF wave launching angles can lead to hysteresis and help to avoid the nonlinear shadowing effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Wide bandwidth frequency-domain thermoreflectance: Volumetric heat capacity, anisotropic thermal conductivity, and thickness measurements

A frequency-domain thermoreflectance (FDTR) system with a frequency range of 1 Hz to 75 MHz is presented. The wide bandwidth of pump modulation frequency enables enhanced simultaneous thermophysical property characterization of bulk and thin-film materials. The wide bandwidth FDTR system is demonstrated with simultaneous measurements of in-plane and cross-plane thermal conductivities of sapphire and muscovite mica, thickness and thermal conductivity of gold/titanium thin films, and isotropic thermal conductivity and volumetric heat capacity of lithium niobate and silicon. Thermophysical properties measured with FDTR are compared to literature values or independent measurements for verification. Finally, at low frequencies, a negligible error was achieved in the numerical integration of the heat diffusion equation with a Gauss–Legendre quadrature method solved with 400 integration points and an upper integration limit of 16weff, where weff is the effective pump–probe 1/e2 radius.

Ziade, Elbara (ORCID:0000000249020497)↗
DOE OSTI2022

Thermal model for time-domain thermoreflectance experiments in a laser-flash geometry

Time-domain thermoreflectance (TDTR) is a well-established pump–probe method for measuring thermal conductivity and interface conductance of multilayers. Interpreting signals in a TDTR experiment requires a thermal model. In standard front/front TDTR experiments, both pump and probe beams typically irradiate the surface of a multilayer. As a result, existing thermal models for interpreting thermoreflectance experiments assume that the pump and probe beams both interact with the surface layer. Here, we present a frequency-domain solution to the heat-diffusion equation of a multilayer in response to nonhomogeneous laser heating. This model allows analysis of experiments where the pump and probe beams irradiate opposite sides of a multilayer. We call such a geometry a front/back experiment to differentiate such experiments from standard TDTR experiments. As an example, we consider a 60nm amorphous Si film. We consider how signals differ in a front/front vs front/back geometry and compare thermal model predictions to experimental data.

Peng, Wanyue↗
DOE OSTI2018

Resonance broadened quasi-linear (RBQ) model for fast ion distribution relaxation due to Alfvénic eigenmodes

The burning plasma performance is limited by the confinement of the super-alfvénic fusion products such as alpha particles and the auxiliary heating ions capable of exciting the Alfvénic eigenmodes (AEs) (Gorelenkov et al 2014 Nucl. Fusion 54 125001). Here in this work the effect of AEs on fast ions is formulated within the quasi-linear (QL) theory generalized for this problem recently (Duarte 2017 PhD Thesis University of São Paulo, Brazil). The generalization involves the resonance line broadened interaction of energetic particles (EP) with AEs supplemented by the diffusion coefficients depending on EP position in the velocity space. A new resonance broadened QL code (or RBQ1D) based on this formulation allowing for EP diffusion in radial direction is built and presented in details. In RBQ1D applications we reduce the wave particle interaction (WPI) dynamics to 1D case when the particle kinetic energy is nearly constant. The diffusion equation for EP distribution evolution is then solved simultaneously for all particles along the angular momentum direction. We make initial applications of the RBQ1D to a DIII-D plasma with elevated q-profile where the beam ions show stiff transport properties (Collins et al (The DIII-D Team) 2016 Phys. Rev. Lett. 116 095001). In conclusion, AE driven fast ion profile relaxation is studied for validations of the QL approach in realistic conditions of beam ion driven instabilities in DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Designing a validation experiment for radio frequency condensation

Abstract Theoretical studies have suggested that nonlinear effects can lead to ‘radio frequency (RF) condensation’, where an initially broad current profile can coalesce in islands when they reach sufficient width. In suitable conditions, RF condensation can ‘self-focus’ the driven current to the center of an island, improving stabilization efficiency and reducing control complexity. In unsuitable conditions, the effect can prematurely deplete the RF energy before it reaches the island center, impairing stabilization. It is predicted that the RF condensation effect can significantly impact reactor-scale tokamaks. This paper presents a set of simulations investigating the conditions under which RF condensation might be encountered in present-day tokamaks. For concreteness, the calculations use equilibrium reconstructions for two shots from DIII-D and AUG. The Current Condensation Amid Magnetic Islands (OCCAMI) simulation code has been used for this investigation. The code takes as its input a numerically specified axisymmetric EFIT equilibrium solution, and it perturbatively constructs a 3D field with an island embedded at the appropriate rational surface. In the OCCAMI code, the GENRAY code is used for ray tracing and for calculating the power deposition along a ray trajectory, and GENRAY is coupled self-consistently to a solution of the thermal diffusion equation in the island. The simulation results described in the paper illuminate the conditions required for experimental validation of the theory of RF condensation. The simulations also provide an explanation of why the effect was not noticed in experiments prior to the publication of theoretical papers on the subject.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Coupled Charge and Radiation Transport Processes in Thermophotovoltaic and Thermoradiative Cells

Accurate modeling of charge transport and both thermal and luminescent radiation is crucial to the understanding and design of radiative thermal energy converters. Charge-carrier dynamics in semiconductors are well-described by the Poisson-drift-diffusion equations, and thermal radiation in emitter-absorber structures can be computed using multilayer fluctuational electrodynamics. These two types of energy flows interact through radiation absorption or luminescence and charge-carrier generation or recombination. However, past research has typically only assumed limited interaction, with thermal radiation absorption as an input for charge-carrier models to predict device performance. To examine this assumption, we develop a fully coupled iterative model of charge and radiation transport in semiconductor devices, and we use our model to analyze near-field and far-field GaSb thermophotovoltaic and thermoradiative systems. By comparing our results with past methods that do not consider cross-influences between charge and radiation transport, we find that a fully coupled approach is necessary to accurately model photon recycling and near-field enhancement of external luminescence. As these effects can substantially alter device performance, our modeling approach can aid in the design of efficient thermophotovoltaic and thermoradiative systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Charge Transport and Space-Charge Formation in Cd 1 - x Zn x Te 1 - y Se y Radiation Detectors

The electron- and hole-transport properties in cadmium zinc telluride selenide (CZTS) crystals are studied using a laser-induced transient-current technique with pulsed and dc bias. The internal electric field profile and velocity of surface recombination are determined by Monte Carlo simulations of electron and hole transient currents combined with a numerical solution of the drift-diffusion equation coupled with Poisson’s equation. Electron and hole drift mobilities of μe = 830 cm 2 /Vs and μh = 40 cm 2 /Vs, respectively, are determined. We also develop a simple technique for evaluating surface recombination directly from measured current waveforms without the need for numerical simulation. The good quality of the prepared detector at pulsed bias, with electron- and hole-mobility-lifetime products of (μτ)e = 1.9 × 10 -3 cm 2 /V and (μτ)h = 1.4 × 10 -4 cm 2 /V, respectively, are observed. The formation of a positive space charge, originating from hole injection combined with a recombination level, is found. We observe a significant position dependence of the lifetime of electrons and holes in dc bias due to hole injection. The experiment is successfully fitted by a simple model dominated by a single deep recombination level with an energy of E t =E C -0.73eV; concentration of 7.3 × 10 11 cm -3 ; and electron- and hole-capture cross sections of 3.5 × 10 -14 cm 2 and 6.5 × 10 -14 cm 2 , respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Onset of anharmonicity and thermal conductivity in SnSe

The anharmonicity in SnSe is investigated through the analysis of moments of 119Sn nuclear resonant inelastic x-ray scattering and ab initio molecular dynamics calculations. Experimental evidences show that the anharmonic behavior started around 300 K, substantially lower than the usually suggested structural transition at 800 K. Both theory and experiments reveal substantial lifetime broadening and frequency renormalization of the optical phonons. Additionally, thermal conductivities calculated from the temporal energy moment using the Einstein diffusion equation are in good agreement with previous experiments. The abrupt increase of the thermal power near 800 K is driven by an electronic factor and not by the enhanced anharmonicity due to structural change.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗