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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Numerical Simulation of Container Breach and Airborne Release of Solids Due to Mechanical Insults

Throughout U.S. Department of Energy (DOE) complexes, safety engineers employ the five-factor formula to calculate the source term (ST) that includes parameters of airborne release fraction (ARF), respirable fraction (RF) and damage ratio (DR). Limited experimental data on fragmentation of solids, such as ceramic pellets (i.e., PuO2), and container breach due to mechanical insults (i.e., drop and forklift impact), can be supplemented by modeling and simulation using high fidelity computational tools to estimate these parameters. This paper presents the use of Sandia National Laboratories' SIERRA solid mechanics (SM) finite element code to investigate the behavior of the widely utilized waste container (such as 7A Drum) subject to a range of free fall impact and puncture scenarios. The resulting behavior of the container is assessed, and the estimates are presented for bounding DRs from calculated breach areas for the various accident conditions considered. This paper also describes a novel multiscale constitutive model recently implemented in SIERRA/SM that simulates the fracture of brittle materials such as PuO 2 and determines ARF during the fracture process. Furthermore, comparisons are made between model predictions and simple bench-top experiments.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Study of the development of relativistic plasma bunches in a long mirror trap by optical and X-ray imaging and numerical simulations

The work presents experimental results demonstrating the feasibility of autoresonance acceleration of electrons in a long mirror trap with a reverse magnetic field. It is shown that gyromagnetic autoresonance results in the formation of a plasma bunch with average electron energy of several hundred keV, which is confined for a long time in the trap. The results of computer simulations of the regime of reverse gyromagnetic autoresonance agree well with the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Numerical Simulation of the Structure and Mechanical Properties of Silicene Layers on Graphite during the Lithium Ion Motion

The molecular dynamics method is applied to study structural and mechanical effects appearing during the lithium ion motion in a dc electric field along a planar channel formed by perfect silicene sheets and sheets containing vacancy-type defects. Mono-, di-, tri-, and hexavacancies of rather densely and uniformly filled silicene sheets are arranged one above the other on a graphite substrate. The times of Li{sup +} ion passage through silicene channels with various gaps are determined. The construction of Voronoi polyhedra and truncated polyhedrons, whose centers coincide with the moving ion position allowed revealing the structural features inherent to the two-dimensional layered structure. The nature of stresses appearing in silicene sheets most critical to ion motion over the channel is determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Numerical Simulation of Thermodynamic Parameters of High-Porosity Copper

We propose that a modified equation of state be used for calculating the thermodynamically equilibrium TEC2 model for improving the reliability of description of thermodynamic parameters of shock loading of pure materials and heterogeneous mixtures of various porosities. For copper, the parameters of a thermally consistent equation of state have been determined. A reliable description of shock-wave loading of copper has been obtained using a small number of fitting parameters determined from the concordance with experimental data. Thermodynamic parameters have been simulated for copper with various porosities; the compression ratio and the temperature along the shock adiabat have been determined, and the value of heat capacity along the normal isobar has been calculated. The results of calculations are compared with available experimental results obtained by different authors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Short-Range Order and Charge Transport in SiO{sub x}: Experiment and Numerical Simulation

The structure of nonstoichiometric silicon oxide (SiO{sub x}) has been studied by the methods of highresolution X-ray photoelectron spectroscopy and fundamental optical-absorption spectroscopy. The conductivity of SiO{sub x} (x = 1.4 and 1.6) films has been measured in a wide range of electric fields and temperatures. Experimental data are described in terms of the proposed SiO{sub x} structure model based on the concept of fluctuating chemical composition leading to nanoscale fluctuations in the electric potential. The maximum amplitude of potential fluctuations amounts to 2.6 eV for electrons and 3.8 eV for holes. In the framework of this model, the observed conductivity of SiO{sub x} is described by the Shklovskii–Efros theory of percolation in inhomogeneous media. The characteristic spatial scale of potential fluctuations in SiO{sub x} films is about 3 nm. The electron-percolation energy in SiO{sub 1.4} and SiO{sub 1.6} films is estimated to be 0.5 and 0.8 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Numerical Simulation and Modeling of Hydrogen Gas Evolution on Planar and Microwire Array Electrodes

The impact of gas evolution on the electrochemical characteristics of planar electrodes and microwire array electrodes has been analyzed using modeling and simulation. The impacts can mainly be broken into three phenomena: a) a shift in the local reversible hydrogen electrode potential; b) hyperpolarization; and c) an increase in the solution resistance of the electrolyte. The local reversible hydrogen electrode potential shift was found to play the most important role, constituting >40% of the total potential drop between the cathode and reference electrode, following correction for cell resistance. Compared to planar electrodes, a microwire array structure reduces the impact of bubbles on the solution conductance, but the shift in the local reversible hydrogen electrode potential varies with distance from the actual electrode surface.

25 ENERGY STORAGE↗
DOE OSTI2023

Numerical Simulations of Carbon Dioxide Storage Efficiency in Heterogeneous Reservoir Models

The U.S. Department of Energy’s National Energy Technology Laboratory (DOE-NETL) has been developing methods and tools (the online Carbon Dioxide Storage prospeCtive Resource Estimation Excel aNalysis (CO2-SCREEN) tool) to estimate carbon dioxide (CO2) storage potential in subsurface reservoirs. The CO2 storage efficiency terms are input in the tool to calculate storage potential in targeted reservoirs. In this effort, two CO2 storage efficiency terms were evaluated: volumetric displacement ( E V ) and microscopic displacement ( E d ). The first term deals with efficiency of CO2 propagation into an accessible reservoir volume, while the second term evaluates effectiveness of native fluid displacement with CO2. The interpreted well logs and core sample measurements were applied to create the heterogeneous reservoir models including geostatistical realizations of porosity and intrinsic permeability fields. Supercritical CO2 was injected over the course of 30 years into brine-saturated reservoir models for clastics, limestone, and dolomite lithologies and deltaic fluvial, aeolian, shallow marine, and reef depositional environments by means of varying reservoir parameters and injection scenarios. The reservoir models providing vertically heterogeneous petrophysical properties and designated as “layered reservoir models” (with homogeneous parameters along each layer of the model) were not determined to be a transition between the homogeneous and heterogeneous models in respect to storage efficiency. Another finding shows that high-efficiency factors do not necessarily mean increased CO2 storage; they rather indicate that the available volume and pore space are more fully utilized. The CO2 storage efficiency factors were evaluated dynamically at the select time points using P 10 ‐ P 50 ‐ P 90 percentiles. The results of this study show that the P 10 ‐ P 90 distribution for volumetric efficiency is wider when compared to the microscopic efficiency. It was found that where dominant buoyancy forces drive the plume to the top of a target formation, the volumetric efficiency is low. Tighter sandstone and carbonate formations show prevalence of capillary forces and better utilization of reservoir volume.

Myshakin, Evgeniy M.↗
DOE OSTI2020

Numerical simulation of mold filling water blown polyurethane foams: Effects of sequential pour

Batch molding of polyurethane foams is a widely used processing technique to produce crosslinked cellular structures which form to the shape of the mold. For water-blown polyurethane foams, water is reacted to form gaseous carbon dioxide resulting in a foam which expands to fill the mold completely. Batch molding typically requires an operator to coat the surface of a mold, introducing a significant lag time during the filling stage where significant asymmetric volume change can occur. The purpose of this work is to show, through simulations, that this lag time is significant when predicting flow profiles and part quality. When the mold geometry is complex enough to force bifurcation of the flow, simulations incorporating various filling lag times predicted significantly different locations of knit or weld lines where the flow fronts meet. Current simulation techniques, which assume the filling stage occurs instantaneously, are unable to predict variations in weld line locations. The introduction of a lag time, referred to herein as sequential pour, was achieved through user-defined modules incorporated into Ansys Fluent software.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Numerical simulation of diverse thermal in situ upgrading processes for the hydrocarbon production from kerogen in oil shale reservoirs

© 2017, © The Author(s) 2017. We investigate the productivity and product selectivity of diverse thermal in situ upgrading processes in oil shale reservoirs. In situ upgrading processes applying the ideas of Shell In situ Conversion Process, ExxonMobil Electrofrac, and Texas A&M Steamfrac are simulated by using sector models with the assumption of symmetric patterns. In-house fully functional simulator is used, which has been developed for the kerogen pyrolysis and hydrocarbon production. In the simulation cases, sensitivity analyses to the factors having major influence on the productivity and product selectivity are conducted. The effects of the temperature of vertical heaters, the spacing of hydraulic fractures, and the position of horizontal production wells are analyzed in the applied In situ Conversion Process, Electrofrac, and Steamfrac, respectively. In the applied In situ Conversion Process cases, hydrocarbon production increases with the increasing heater temperature. In the applied Electrofrac cases, hydrocarbon production increases with the increasing spacing of hydraulic fractures, even though longer time period for the process is needed. In the applied Steamfrac cases, the case of production well located at the same depth to the injection well shows the least hydrocarbon production. Among the processes, the applied In situ Conversion Process cases show the highest weight percentage of total hydrocarbon components in the produced fluid, and the applied Electrofrac cases follow it. The applied Steamfrac cases show far lower weight percentage of hydrocarbon production than the other methods. In terms of the mass ratio of produced hydrocarbon to decomposed kerogen, the applied Steamfrac cases show the largest value among the processes by aqueous phase sweeping liquid organic phase, but they also show the huge water oil mass ratio by the continuous injection of hot water. All the applied In situ Conversion Process cases and the Electrofrac case with the short spacing of hydraulic fractures show good heating efficiency by decomposing whole kerogen in the system.

Lee, Kyung Jae↗
DOE OSTI2013

A Model Management System for Numerical Simulations of Subsurface Processes (Final Report)

The DOE and several other Federal agencies have committed significant resources to support the development of a large number of mathematical models for studying subsurface science problems such as groundwater flow, fate of contaminants and carbon sequestration, to mention only a few. This project provides new tools to help decision makers and stakeholders in subsurface science related problems to select an appropriate set of simulation models for a given field application.

58 GEOSCIENCES↗
DOE OSTI2013

Numerical simulations of a proposed hollow electron beam collimator for the LHC upgrade at CERN.

In the last years the LHC collimation system has been performing over the expectations, providing the machine with a nearly perfect e cient cleaning system[1]. Nonetheless, when trying to push the existing accelerators to - and over - their design limits, all the accelerator components are required to boost their performances. In particular, in view of the high luminosity frontier for the LHC, the increased intensity would ask for a more e cient cleaning system. In this framework innovative collimation solutions are under evaluation[2]: one option is the usage of an hollow electron lens for beam halo cleaning. This work intends to study the applicability of an the hollow electron lens for the LHC collimation, by evaluating the case of the existing Tevatron e-lens applied to the nominal LHC 7 TeV beam. New e-lens operation modes are here proposed to standard enhance the electron lens halo removal e ect.

43 PARTICLE ACCELERATORS↗