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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Eulerian three-fluid flow framework for the study of fuel dispersal behavior under loss-of-coolant accident conditions

As the nuclear industry explores new fuel designs to accommodate increased burnup, studying fuel behavior during loss-of-coolant accidents is essential for ensuring the safe operation of light-water reactors. Here, this study presents a computational model to simulate the intricate three-phase flow dynamics of fuel dispersal following cladding breach, where solid fuel particles and carrier fission gases interact with the surrounding liquid or gas medium. The model utilizes a Eulerian three-fluid framework to depict the phase interaction within interpenetrating continua, treating fragmented fuel as granular material. Closure relationships for bulk-flow properties of the solid phase and detailed interfacial exchange terms in high-temperature, high-speed gas-solid-liquid flow scenarios are proposed. The model was validated using adiabatic experimental results in the literature, focusing on characterizing fuel dispersal behavior during loss-of-coolant accidents conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched probability density functions reported in experimental studies. Key highlights of this study include the theoretical description of a coupled three-phase flow with phase change, interpretation of the high-pressure boundary conditions and insights into the transient behavior of gas-solid-liquid phase dynamics during a simulated high-speed dispersal event.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Computational Analysis of the Impact of Boundary Conditions on a Particle-Laden Flow: A Case Study in a Pressurized Oxy-Coal Combustor

Designing an effective burner is vital for the development of coal combustion technologies. Because of high pressure, the volumetric fraction of the coal particles in the injected fuel in a pressurized oxy-combustion (POC) burner approaches or even exceeds the limitations allowed by the commercial computational fluid dynamics codes (e.g., Ansys Fluent). Consequently, for such high particle volumetric fractions, the interplay between the particles, the fluid flow, and the burner wall needs to be re-evaluated. The present computational work is a first step in a systematic analysis of the roles of various characteristics involved in the POC process, such as the method of particle release, its location, and the particle size. Specifically, pulverized coal is burned under an elevated pressure of 15 bar in an O 2 /CO 2 environment. A 100 kW, a POC combustor, is modeled with Ansys Fluent using the Reynolds-averaged Navier−Stokes approach. It is revealed that for this pilot-scale, pressurized burner, the gas phase flow velocity in the near-wall region exhibits anomalies. With the major focus on POC, this work aims to eliminate/reduce the impact of high particle loading on the gas-phase flow. To scrutinize the role of particle loading in the near-wall region and eliminate the impact of this velocity on POC downstream, the particle−gas interplay in the boundary layer is investigated by means of the computational simulations incorporating the coupling between the turbulent flow and the particles. It is found that the tuning of the particle release location makes the gas-phase flow velocity in the presence of particles consistent with the pure gas flow velocity profile. The particles size is also found to have a significant impact on the particle trajectory.

CFD↗
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2020

Fluid-driven fractures in granular media: Insights from numerical investigations

We investigate the mechanisms of opening-mode fracture initiation in granular media. The study is based on a simulation of grain-scale fluid-grain interactions through a coupled numerical approach in which the discrete element method is used to solve for the mechanics of a solid granular medium, and computational fluid dynamics is used to model fluid flow and drag forces. In this work, we present benchmark problems with analytical solutions and validate this numerical model against experiments on a viscous-drag-driven cavity in the literature. Additional simulation results show fracture initiation mechanisms in a random granular packing subjected to constant boundary stresses and to fluid injection with a localized source. The dimensionless variable $F_s/F_{sk}$ (ratio of seepage force $F_s$ and skeletal force $F_{sk}$) incorporates the impacts of physical properties and injection parameters including fluid viscosity, injection velocity, grain size, and effective stresses, and it has been used as a criterion separating regimes of fluid invasion and drag-driven fracture opening. Our simulation results show that $F_s/F_{sk}$ in combination with $τ_1$ (ratio of diffusion time from hydromechanical coupling and injection time) serves as a prediction of fracture opening within granular packing. We suggest a simple criterion ($F_s/F_{sk}$ > 1 or $τ_1$ > 0.17) that is valid for various types of granular media and injection conditions to determine if fracture opening will occur. Among other applications, this study is useful to predict the initiation and propagation of fractures in natural sediments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Modeling of the spray-induced wall stress acting on the ignition assistance device

This research introduces a novel wall-stress model called the Spray-Induced Wall Stress (SIWS) model, which considers the effects of spray-wall impingement and the resulting formation of wall stress within the Lagrangian spray modeling framework. The primary objective of this paper is to provide a mathematical description of the fundamental physics underlying the model. Subsequently, the proposed model is validated using existing experimental data. Here, the remainder of the study focuses on the practical application of the model to an ignition assistance device. Specifically, this device is installed in a compression ignition engine and designed to enhance ignition in aviation-fueled high-altitude aircraft propulsion systems. The research sheds light on the mechanical impulse caused by the high-speed impact of the spray jet, leading to the accumulation of mechanical stress on the rigid body of the ignition assistance device. Previous studies on fluid-structure interaction have only considered the interaction between the gas phase and the solid wall. However, the SIWS model incorporates the additional impact of the impinging liquid spray jet. Consequently, the simulated stress distribution on the ignition assistance device can be estimated by considering both the gas-phase-induced term and the spray-induced term simultaneously.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Single phonon detection for dark matter via quantum evaporation and sensing of He 3

Dark matter is five times more abundant than ordinary visible matter in our Universe. While laboratory searches hunting for dark matter have traditionally focused on the electroweak scale, theories of low mass hidden sectors motivate new detection techniques. Extending these searches to lower mass ranges, well below 1 GeV / c 2 , poses new challenges as rare interactions with standard model matter transfer progressively less energy to electrons and nuclei in detectors. Here, we propose an approach based on phonon-assisted quantum evaporation combined with quantum sensors for detection of desorption events via tracking of spin coherence. The intent of our proposed dark matter sensors is to extend the parameter space to energy transfers in rare interactions to as low as a few meV for detection of dark matter particles in the keV / c 2 mass range. Published by the American Physical Society 2024

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The potential for New Mexico basalts to sequester CO2 with a focus on critical element mobility

This study investigates the potential for New Mexico basalts to serve as geologic CO₂ sequestration media through mineral carbonation. Batch-type experiments were conducted using crushed basalts from the Carrizozo and Taos regions at low PCO₂ (0.7–2 bar) and temperatures up to 40°C over 180 days. The experiments evaluated the kinetics of CO₂-water-rock interaction, cation release, and critical element mobility (Cu, Ni, Co, Zn). Solid and fluid samples were analyzed using SEM, EMPA, ICP-OES, and ICP-MS, and geochemical modeling was performed with GEM-Selektor and PHREEQC. Results indicated that up to 80% of the injected CO₂ was mineralized within 100 days, forming secondary carbonates such as siderite and ankerite. Additionally, significant mobilization of critical metals was observed, which has implications for resource recovery and mine-waste valorization in future CO₂ sequestration projects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Revisiting the empirical particle-fluid coupling model used in DEM-CFD by high-resolution DEM-LBM-IMB simulations: A 2D perspective

The work investigates the applicability of the unresolved Computational Fluid Dynamics and Discrete Element Method (CFDDEM) technique based on empirical equations for fluid-particle coupling. We first carry out a series of representative volume element simulations using the high-resolution particle-resolved Lattice Boltzmann method and Discrete Element Method (LBMDEM) coupled by an Immersed Moving Boundary (IMB) scheme. Then, we compare the results obtained by both LBMDEM and empirical equations used in unresolved CFDDEM with analytical solutions. It is found that the existing empirical equations used in solving fluid-particle interactions in 2D CFDDEM fail to accurately calculate the hydrodynamic force applied to solid particles. The underlying reason is that the existing empirical models are obtained based on 3D experimental results and thus are not applicable to 2D problems. Based on the simulation results, a new drag coefficient model is then proposed. The estimated drag forces using the new model are compared favourably with the simulated ones, indicating the good performance of the proposed model.

42 ENGINEERING↗
DOE OSTI2021

Eulerian simulation of complex suspensions and biolocomotion in three dimensions

Significance Fluid–structure interactions are ubiquitous in many natural and man-made environments. They are difficult to study analytically, and therefore accurate and flexible computational methods are an indispensable tool in the field. Typically, fluids are simulated with a fixed background computational mesh, whereas a solid is simulated with a mesh that moves with it, making it challenging to couple the two. Here we develop a three-dimensional computational method where both fluid and solid can be represented on a fixed computational grid, which simplifies the coupling between the two phases considerably. Our method can simulate scenarios that are difficult to do with other methods, such as complex suspensions containing soft particles that are both heavier and lighter than the fluid.

3D fluid-structure interaction↗
DOE OSTI2025

Dust supply to close binary systems

Binary systems can be born surrounded by circumbinary discs. The gaseous disc around either of the two stellar companions can have its life extended by the supply of mass arriving from the circumbinary disc. The objective of this study is to investigate the gravitational interactions exerted by a compact and eccentric binary system on the circumbinary and circumprimary discs, and the resulting transport of gas and solids between the disc components. We assume that the gas in the system behaves as a fluid, and we model its evolution by means of high-resolution hydrodynamical simulations. Dust grains are modelled as Lagrangian particles that interact with the gas and the stars. Our models indicate that significant fluxes of gas and dust proceed from the circumbinary disc towards the circumprimary disc. For the applied system parameters, grains of certain sizes are segregated outside the tidal gap generated by the stars. Consequently, the size distribution of the transported dust is not continuous, but presents a gap in the millimetre size range. In close binaries, the lifetime of an isolated circumprimary disc is found to be short, ~10 5 years, because of its low mass. However, because of the influx of gas from beyond the tidal gap, the disc around the primary star can survive much longer, ~10 6 years, as long as gas accretion from the circumbinary disc continues. The supply of solids and the extended lifetime of a circumbinary disc also aids in the possible formation of giant planets. Compared to close binary systems without a circumbinary disc, we expect a higher frequency of singleplanet or multiple-planet systems. Additionally, a planetesimal or debris belt can form in the proximity of the truncation radius of the circumprimary disc and/or around the location of the exterior edge of the tidal gap.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Attribute-Aware RBFs: Interactive Visualization of Time Series Particle Volumes Using RT Core Range Queries

Smoothed-particle hydrodynamics (SPH) is a mesh-free method used to simulate volumetric media in fluids, astrophysics, and solid mechanics. Visualizing these simulations is problematic because these datasets often contain millions, if not billions of particles carrying physical attributes and moving over time. Radial basis functions (RBFs) are used to model particles, and overlapping particles are interpolated to reconstruct a high-quality volumetric field; however, this interpolation process is expensive and makes interactive visualization difficult. Existing RBF interpolation schemes do not account for color-mapped attributes and are instead constrained to visualizing just the density field. To address these challenges, we exploit ray tracing cores in modern GPU architectures to accelerate scalar field reconstruction. We use a novel RBF interpolation scheme to integrate per-particle colors and densities, and leverage GPU-parallel tree construction and refitting to quickly update the tree as the simulation animates over time or when the user manipulates particle radii. We also propose a Hilbert reordering scheme to cluster particles together at the leaves of the tree to reduce tree memory consumption. Finally, we reduce the noise of volumetric shadows by adopting a spatially temporal blue noise sampling scheme. Our method can provide a more detailed and interactive view of these large, volumetric, time-series particle datasets than traditional methods, leading to new insights into these physics simulations.

Particle Volumes↗
DOE OSTI2025

Two-dimensional mapping of absolute OH densities in an atmospheric pressure plasma effluent via planar laser-induced fluorescence: effects of He/H 2 O and He/O 2 mixtures in N 2 and air, with and without solid targets

Planar laser-induced fluorescence (LIF) was employed to measure the absolute density of hydroxyl radicals (OH) in the effluent of the COST Reference Microplasma Jet for two feed gas mixtures: He/H 2 O and He/O 2 . Experiments were conducted with the effluent propagating into air and N 2 environments. For the He/H 2 O case, measurements were also performed with the effluent impinging on a solid target at varying distances from the jet nozzle. Calibration of the OH-LIF signal from the COST-Jet was achieved by comparing it to a reference signal generated by the photofragmentation of H 2 O 2 . Results demonstrated that OH densities were sustained longer when the effluent propagates in a nitrogen environment compared to air, particularly with water added to the feed gas. The broader OH distribution in N 2 suggests slower consumption due to the absence of oxygen, which accelerates OH depletion in air via reactions involving O 2 and HO 2 . Even when water was not added to the feed, as in the He/O 2 case, appreciable OH densities were observed, due to gas impurities and reactive species interactions with atmospheric humidity, forming reaction fronts that delineate the gas flow. Two-dimensional fluid dynamics simulations elucidated the influence of atmospheric gas entrainment and solid targets on the OH distribution. Experimental trends were further compared with a zero-dimensional chemistry model to explore OH production and consumption mechanisms in air and nitrogen environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Fluid Behavior in Nanoporous Silica

We investigate dynamics of water (H 2 O) and methanol (CH 3 OH and CH 3 OD) inside mesoporous silica materials with pore diameters of 4.0, 2.5, and 1.5 nm using low-field (LF) nuclear magnetic resonance (NMR) relaxometry. Experiments were conducted to test the effects of pore size, pore volume, type of fluid, fluid/solid ratio, and temperature on fluid dynamics. Longitudinal relaxation times (T 1 ) and transverse relaxation times (T 2 ) were obtained for the above systems. We observe an increasing deviation in confined fluid behavior compared to that of bulk fluid with decreasing fluid-to-solid ratio. Our results show that the surface area-to-volume ratio is a critical parameter compared to pore diameter in the relaxation dynamics of confined water. An increase in temperature for the range between 25 and 50°C studied did not influence T 2 times of confined water significantly. However, when the temperature was increased, T 1 times of water confined in both silica-2.5 nm and silica-1.5 nm increased, while those of water in silica-4.0 nm did not change. Reductions in both T 1 and T 2 values as a function of fluid-to-solid ratio were independent of confined fluid species studied here. The parameter T 1 /T 2 indicates that H 2 O interacts more strongly with the pore walls of silica-4.0 nm than CH 3 OH and CH 3 OD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Eminuscent phase in frustrated magnets: a challenge to quantum spin liquids

A geometrically frustrated (GF) magnet consists of localised magnetic moments, spins, whose orientation cannot be arranged to simultaneously minimise their interaction energies. Such materials may host novel fascinating phases of matter, such as fluid-like states called quantum spin-liquids. GF magnets have, like all solid-state systems, randomly located impurities whose magnetic moments may “freeze” at low temperatures, making the system enter a spin-glass state. We analyse the available data for spin-glass transitions in GF materials and find a surprising trend: the glass-transition temperature grows with decreasing impurity concentration and reaches a finite value in the impurity-free limit at a previously unidentified, “hidden”, energy scale. We propose a scenario in which the interplay of interactions and entropy leads to a crossover in the permeability of the medium that assists glass freezing at low temperatures. This low-temperature, “eminuscent”, phase may obscure or even destroy the widely-sought spin-liquid states in rather clean systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Simulating Fracture Sealing by Granular LCM Particles in Geothermal Drilling

Lost circulation occurs when the returned fluid is less than what is pumped into the well due to loss of fluid to pores or fractures. A lost-circulation event is a common occurrence in a geothermal well. Typical geothermal reservoirs are often under-pressured and have larger fracture apertures. A severe lost-circulation event is costly and may lead to stuck pipe, well instability, and well abandonment. One typical treatment is adding lost-circulation materials (LCMs) to seal fractures. Conventional LCMs fail to properly seal fractures because their mechanical limit is exceeded at elevated temperatures. In this paper, parametric studies in numerical simulations are conducted to better understand different thermal effects on the sealing mechanisms of LCMs. The computational fluid dynamics (CFDs) and the discrete element method (DEM) are coupled to accurately capture the true physics of sealing by granular materials. Due to computational limits, the traditional Eulerian–Eulerian approach treats solid particles as a group of continuum matter. With the advance of modern computational power, particle bridging is achievable with DEM to track individual particles by modeling their interactive forces between each other. Particle–fluid interactions can be modeled by coupling CFD algorithms. Fracture sealing capability is investigated by studying the effect of four individual properties including fluid viscosity, particle size, friction coefficient, and Young’s modulus. It is found that thermally degraded properties lead to inefficient fracture sealing.

15 GEOTHERMAL ENERGY↗