Results for “PARTICLE MODELS” — Page 77

DOE OSTI2016

Final Technical Report for Year 5 Early Career Research Project "Viscosity and equation of state of hot and dense QCD matter"

The Section below summarizes research activities and achievements during the fifth (last) year of the PI’s Early Career Research Project (ECRP). Unlike the first four years of the project, the last year was not funded under the American Recovery and Reinvestment Act (ARRA). The ECRP advanced two main areas: i) radiative 3 ↔ 2 radiative transport, via development of a new computer code MPC/Grid that solves the Boltzmann transport equation in full 6+1D (3X+3V+time); and ii) application of relativistic hydrodynamics, via development of a self-consistent framework to convert viscous fluids to particles. In Year 5 we finalized thermalization studies with radiative gg ↔ ggg transport (Sec. 1.1.1) and used nonlinear covariant transport to assess the accuracy of fluid-to-particle conversion models (Sec. 1.1.2), calculated observables with self-consistent fluid-to-particle conversion from realistic viscous hydrodynamic evolution (Secs. 1.2.1 and 1.2.2), extended the covariant energy loss formulation to heavy quarks (Sec. 1.4.1) and studied energy loss in small systems (Sec. 1.4.2), and also investigated how much of the elliptic flow could have non-hydrodynamic origin (Sec 1.3). Years 1-4 of the ECRP were ARRA-funded and, therefore, they have their own report document ’Final Technical Report for Years 1-4 of the Early Career Research Project “Viscosity and equation of state of hot and dense QCD matter”’ (same award number DE-SC0004035). The PI’s group was also part of the DOE JET Topical Collaboration, a multi-institution project that overlapped in time significantly with the ECRP. Purdue achievements as part of the JET Top- ical Collaboration are in a separate report “Final Technical Report summarizing Purdue research activities as part of the DOE JET Topical Collaboration” (award DE-SC0004077).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Simulations of Neutron Time-of-Flight Method by Inelastic Scattering Carbon-12 using MCNP6 and Geant4

A neutron spectroscopy technique using neutron time-of-flight (TOF) with gamma tagging from inelastic scattering on carbon-12 was examined using MCNP6 and Geant4. Experimental data for the 12 C(n,n'$γ$) reaction from D. Spaargaren and C.C. Jonken was used to supplement the simulations due to their limitations with modeling correlated particles on an event-by-event basis. The MCNP and Geant4 models relied on different methods to determine the efficiencies and were compared against each other for validation of the results. The total efficiency of coincident detection as determined by MCNP is around 6.32E-11. That is, around 6 events will be detected per 100 billion source neutrons. It was found that the amount of neutrons which lose energy to elastic scattering is not negligible, and efforts to reconstruct the beam energy from the detected neutrons must take this into account. Running on 40 computer cores in multi-threading mode, the Geant4 model could simulate about half a billion source neutrons per hour. In the absence of biasing methods, Geant4 can not simulate the efficiency in any reasonable amount of time given current computing power. Further efforts will be made to introduce biasing to the simulation to verify the MCNP results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Erosion Experimentation in Solar Power Systems

An alternate and sustainable form of energy is concentrated solar power (CSP) systems, which capture and store the sun’s energy in the form of heat. To increase the efficiency and overall cost of the plant, particles were used as a heat transfer medium. As particles flow through this system, the movement of particles creates erosion, in the forms of abrasion and attrition. Experiments were tested at room temperature and 800 degrees Celsius for both abrasion wear and attrition erosion. In abrasion wear, specimens were placed inside a container, particles were added, and the specimen rotated in and out of the particles. In attrition erosion, a steel disk rotated amongst particles which resulted in particles rubbing against each other. Abrasion wear increased when temperature increased while attrition showed that the particles broke down as the amount of time increased. For attrition at 800 degrees Celsius, oxide was increased and mixed with the particles. Durability models will be created to predict attrition and abrasion based on the particle and specimen mechanical properties. This discovery shows that this method of utilizing particles for CSP plants would improve efficiency and decrease overall costs.

14 SOLAR ENERGY↗

NASA NTRS1974

International Cosmic Ray Conference, 13th, University of Denver, Denver, Colo., August 17-30, 1973, Proceedings. Volumes 1 & 2

Topics discussed include diffuse gamma rays, gamma ray sources (in particular, the Crab Nebula and Crab Pulsar), X-ray sources, isotopic and nuclear composition, spectra of nuclei, searches for antinuclei, studies of VH and VVH nuclei, measurements of electrons and positrons, the spectra of high-energy electrons, cosmic gamma rays, cosmic ray sources, interplanetary radial gradients, the theory and observation of electron modulation, short-period cosmic ray intensity variations, atmospheric and coupling effects on neutron monitors and muon telescopes, secondary particles and photons in the atmosphere, harmonics of diurnal variations, geomagnetic effects and cutoffs, planetary and interplanetary effects, solar particle access observations, long-term cosmic ray intensity modulation by solar activity and interplanetary effects, Forbush decreases, modulation and anisotropy of low-energy particles, the theory and models of solar particle propagation, solar flare particle composition, and relativistic solar particles. Individual items are announced in this issue.

Source record↗

NASA NTRS1978

A comparative study of tropospheric ground cloud diffusion models

Calculated values obtained from several diffusion models are compared with field measurements. The diffusion models that are examined include: NASA/MSFC multilayer diffusion models, the meteorological effluent transport simulation model, the TREATS model, the atmsopheric diffusion particle in cell model, and a model for diffusion in shear flow (DISF). The atmospheric turbulence in the PBL turbulent wind field above and below 150 m is calculated. Concentrations calculated from the DISF model are found to correlate, in general, quite well with flight measurements.

Hwang, B.↗

NASA NTRS1980

Numerical simulation of plasma insulator interactions in space. Part 2: Dielectric effects

Any process which may be modeled statistically for a simple plasma particle may be modeled by the particle in cell technique. The success of the calculation is then dependent on having a large enough number of particles that the statistical treatment is meaningful. Thus it is possible to include the effects of secondary emission, backscattering, charge sticking and possibly dielectric breakdown, photoemission, and spallation. The first plasma dielectric interaction included in the computer code for simulating plasma insulator interactions is secondary electron emission. A calculated current density vs. voltage curve is presented and compared to an experimental curve.

Chaky, R. C.↗

NASA NTRS1983

Shock compaction of molybdenum powder

Shock recovery experiments which were carried out in the 9 to 12 GPa range on 1.4 distension Mo and appear adequate to compact to full density ( 45 (SIGMA)m) powders were examined. The stress levels, however, are below those calculated to be from 100 to approx. 22 GPa which a frictional heating model predicts are required to consolidate approx. 10 to 50 (SIGMA)m particles. The model predicts that powders that have a distension of m=1.6 shock pressures of 14 to 72 GPa are required to consolidate Mo powders in the 50 to 10 (SIGMA)m range.

Ahrens, T. J.↗

NASA NTRS1990

Determination of Comet Halley gas emission characteristics from mass loading of the solar wind

The velocity profile of the solar wind during Giotto's approach to Comet Halley is fitted with the mass loading produced by a simple model of the neutral particle distribution. The model is used to calculate the implanted ion flux at Giotto for any given time and position along the spacecraft trajectory. Comparing the added flux with Giotto's solar wind proton data from the inbound leg outside the bow shock, the ratio of the total mass-loaded ion flux to the solar wind flux at the spacecraft is computed. Hence, using equations given by Galeev et al. (1985) values of the solar wind velocity, u-infinity, far upstream from the comet are inferred. Imposing the condition that u-infinity should be as nearly as possible constant in time, values of gas production rate and the ratio between radial expansion velocity and ionization rate required to fit the model to data are derived. The values obtained are consistent with those derived by more direct methods.

Huddleston, D. E.↗

NASA NTRS1998

Fractal Particles: Titan's Thermal Structure and IR Opacity

Titan's haze particles are the principle opacity at solar wavelengths. Most past work in modeling these particles has assumed spherical particles. However, observational evidence strongly favors fractal shapes for the haze particles. We consider the implications of fractal particles for the thermal structure and near infrared opacity of Titan's atmosphere. We find that assuming fractal particles with the optical properties based on laboratory tholin material and with a production rate that allows for a match to the geometric albedo results in warmer troposphere and surface temperatures compared to spherical particles. In the near infrared (1-3 microns) the predicted opacity of the fractal particles is up to a factor of two less than for spherical particles. This has implications for the ability of Cassini to image Titan's surface at 1 micron.

McKay, C. P.↗

DOE OSTI2012

Heating dynamics of CO{sub 2}-laser irradiated silica particles with evaporative shrinking: Measurements and modeling

The heating dynamics of CO{sub 2}-laser heated micron-sized particles were determined for temperatures <3500 K measured using infrared imaging. A coupled mass and energy conservation model is derived to predict single particle temperatures and sizes, which were compared with data from particles deposited on non-absorbing substrates to assess the relevant heat transfer processes. Analysis reveals substrate conduction dominates all other heat losses, while laser absorption determined from Mie theory is strongly modulated by particle evaporative shrinking. This study provides insights into the light coupling and heating of particle arrays where the material optical properties are temperature-dependent and particle size changes are significant.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Co-Extrusion of Dissimilar Aluminum Alloys via Shear-Assisted Processing and Extrusion

Bimetallic tubes are used when a component requires more than one performance requirement, for instance, strength/creep resistance and oxidation/corrosion resistance. Shear-assisted processing and extrusion (ShAPE) can be used to fabricate extrudates that are comparable or superior in performance relative to conventionally manufactured extrudates. For the first time, ShAPE has been successfully employed in producing bimetallic Al tubing consisting of 6061 and 7075 Al alloys. Both light and electron microscopy techniques were used to investigate the integrity of the tubes, especially the interface between the core and cladding of the bimetallic tubes. Void-free bimetallic tubes were produced using ShAPE. Quantification of tube integrity was carried out with tensile testing under as-extruded and post-aged conditions. All the bimetallic tubes in the as-extruded samples exhibited uniform elongation above 5% with good tensile strength. Key insights such as material flow during bimetallic tube extrusion were obtained from the characterization of remnant billet and simulation results from a smoothed particle hydrodynamics model.

36 MATERIALS SCIENCE↗

NASA NTRS1984

The climatic effects of nuclear war

The effects of various US-USSR nuclear-exchange scenarios on global climate are investigated by means of computer simulations, summarizing the results of Turco et al. (1983) and follow-up studies using 3D global-circulation models. A nuclear-scenario model is used to determine the amounts of dust, smoke, radioactivity, and pyrotoxins generated by a particular type of nuclear exchange (such as a general 5,000-Mt exchange, a 1,000-Mt limited exchange, a 5,000-Mt hard-target counterforce attack, and a 100-Mt attack on cities only): a particle-microphysics model predicts the evolution of the dust and smoke particles; and a radiative-convective climate model estimates the effects of the dust and smoke clouds on the global radiation budget. The findings are presented in graphs, diagrams, and a table. Thick clouds blocking most sunlight over the Northern Hemisphere midlatitudes for weeks or months and producing ground-temperature reductions of 20-40 C, disruption of global circulation patterns, and rapid spread of clouds to the Southern Hemisphere are among the 'nuclear-winter' effects predicted for the 5,000-Mt baseline case. The catastrophic consequences for plant, animal, and human populations are considered, and the revision of superpower nuclear strategies is urged.

Turco, R. P.↗

DOE OSTI2013

Smoothed particle hydrodynamics non-Newtonian model for ice-sheet and ice-shelf dynamics

Mathematical modeling of ice sheets is complicated by the non-linearity of the governing equations and boundary conditions. Standard grid-based methods require complex front tracking techniques and have limited capability to handle large material deformations and abrupt changes in bottom topography. As a consequence, numerical methods are usually restricted to shallow ice sheet and ice shelf approximations. We propose a new smoothed particle hydrodynamics (SPH) non-Newtonian model for coupled ice sheet and ice shelf dynamics. SPH, a fully Lagrangian particle method, is highly scalable and its Lagrangian nature and meshless discretization are well suited to the simulation of free surface flows, large material deformation, and material fragmentation. In this paper, SPH is used to study 3D ice sheet/ice shelf behavior, and the dynamics of the grounding line. The steady state position of the grounding line obtained from SPH simulations is in good agreement with laboratory observations for a wide range of simulated bedrock slopes, and density ratios, similar to those of ice and sea water. The numerical accuracy of the SPH algorithm is verif;ed by simulating Poiseuille flow, plane shear flow with free surface and the propagation of a blob of ice along a horizontal surface. In the laboratory experiment, the ice was represented with a viscous Newtonian fluid. In the present work, however, the ice is modeled as both viscous Newtonian fluid and non-Newtonian fluid, such that the effect of non-Newtonian rheology on the dynamics of grounding line was examined. The non-Newtonian constitutive relation is prescribed to be Glen’s law for the creep of polycrystalline ice. A V-shaped bedrock ramp is further introduced to model the real geometry of bedrock slope.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRSDate not supplied

CONTAMINATION CONTROL FOR ULTRA-SENSITIVE LIFE DETECTION SCIENCE MISSIONS

"This study report summarizes technological developments in science-required contamination control for cost-capped, life-detection missions in the Solar System. Technology advances focus on developing implementable strategies to restrict contamination of the spacecraft and instruments by the launch vehicle hardware. Secondary bake out operations during cruise further reduce molecular contaminants down to femtomolar levels in the sample path. The study validated a full-spacecraft, deployable barrier design as an effective strategy to isolate the spacecraft from the pre-launch processing and launch environment (e.g., fairing acoustic materials). It accommodates late mounting of RTGs and other required prelaunch activities. A new, high-fidelity physics, contamination-transport model for particles (including cells and their parts) and science-relevant molecules (e.g., possible biomolecules) was developed to validate the barrier concept. Importantly, this model takes into account the physics of extremely clean surfaces achieved by the best traditional contamination engineering. The ability to deal with very low levels of particulate and molecular contamination makes this model unique among standard contamination modeling approaches. Modeling also demonstrated that a high-temperature bake out during interplanetary cruise of the sample collector that comprises the largest surface area in the sample path for an Enceladus orbiter reference mission, was extremely effective. This study included the evaluation of other details necessary for an effective contamination control strategy for life detection missions including feasibility of achieving parts per trillion level cleanliness for semi-volatile hydrocarbons in nitrogen purge gas, identification of launch vehicle services required for the baseline contamination control, and defining additional contamination control measures to be taken during launch operations. Key results of the study are: • New spacecraft barrier design that accommodates RTGs is readily cleanable and repairable. Deployment of a 1/3 scale model was successfully demonstrated. • The barrier reduces particle contamination (likely biological) from fairing to spacecraft by 1e-2 to 1e-3. • On-cruise bake-out of critical surfaces significantly reduced molecular contamination (by as much as 1e-12). Subsequently, the probability of a surface contamination particle being transported to an instrument by an ice particle is less than 5.1e-5 (for microbes specifically, 4.39e-10). The report concludes that a full-spacecraft barrier designed specifically for life-detection missions that require stringent control of particulate and molecular contaminates is an effective means of mitigating risks of false positive and negative results for life signature investigations. Further, secondary cleaning steps for critical sections of the sample path can be highly effective at reducing molecular contaminants to low femtomolar levels."

Contamination↗

NASA NTRSDate not supplied

Contamination Control for Ultra-Sensitive Life-Detection Missions

"This study report summarizes technological developments in science-required contamination control for cost-capped, life-detection missions in the Solar System. Technology advances focus on developing implementable strategies to restrict contamination of the spacecraft and instruments by the launch vehicle hardware. Secondary bake out operations during cruise further reduce molecular contaminants down to femtomolar levels in the sample path. The study validated a full-spacecraft, deployable barrier design as an effective strategy to isolate the spacecraft from the pre-launch processing and launch environment (e.g., fairing acoustic materials). It accommodates late mounting of RTGs and other required prelaunch activities. A new, high-fidelity physics, contamination-transport model for particles (including cells and their parts) and science-relevant molecules (e.g., possible biomolecules) was developed to validate the barrier concept. Importantly, this model takes into account the physics of extremely clean surfaces achieved by the best traditional contamination engineering. The ability to deal with very low levels of particulate and molecular contamination makes this model unique among standard contamination modeling approaches. Modeling also demonstrated that a high-temperature bake out during interplanetary cruise of the sample collector that comprises the largest surface area in the sample path for an Enceladus orbiter reference mission, was extremely effective. This study included the evaluation of other details necessary for an effective contamination control strategy for life detection missions including feasibility of achieving parts per trillion level cleanliness for semi-volatile hydrocarbons in nitrogen purge gas, identification of launch vehicle services required for the baseline contamination control, and defining additional contamination control measures to be taken during launch operations. Key results of the study are: • New spacecraft barrier design that accommodates RTGs is readily cleanable and repairable. Deployment of a 1/3 scale model was successfully demonstrated. • The barrier reduces particle contamination (likely biological) from fairing to spacecraft by 1e-2 to 1e-3. • On-cruise bake-out of critical surfaces significantly reduced molecular contamination (by as much as 1e-12). Subsequently, the probability of a surface contamination particle being transported to an instrument by an ice particle is less than 5.1e-5 (for microbes specifically, 4.39e-10). The report concludes that a full-spacecraft barrier designed specifically for life-detection missions that require stringent control of particulate and molecular contaminates is an effective means of mitigating risks of false positive and negative results for life signature investigations. Further, secondary cleaning steps for critical sections of the sample path can be highly effective at reducing molecular contaminants to low femtomolar levels."

contamination, life detection, barrier, modeling↗

DOE OSTI2024

Leveraging a Neural Network-Enhanced Reproducing Kernel Particle Method for Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation has been developed to analyze this system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. Here, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RKPM is additionally used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

degradation↗

DOE OSTI2022

Influence of heavy resonances in SMASH

Recent lattice QCD results, comparing to a hadron resonance gas model, have shown the need for hundreds of particles in hadronic models. These extra particles influence both the equation of state and hadronic interactions within hadron transport models. Here, we introduce the PDG21+ particle list, which contains the most up-to-date database of particles and their properties. We then convert all particles decays into 2 body decays so that they are compatible with SMASH in order to produce a more consistent description of a heavy-ion collision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Comparison of fission product release predictions using PARFUME with results from the AGR-1 safety tests

Safety tests were conducted on fuel compacts from AGR-1, the first irradiation experiment of the Advanced Gas Reactor (AGR) Fuel Development and Qualification program, at temperatures ranging from 1600 to 1800 °C to determine fission product release at temperatures that bound reactor accident conditions. The PARFUME (PARticle FUel ModEl) code was used to predict the release of fission products silver, cesium, strontium, and krypton from fuel compacts containing tristructural isotropic (TRISO) coated particles during 15 of these safety tests. Comparisons between PARFUME predictions and post-irradiation examination results of the safety tests were conducted on two types of AGR-1 compacts: compacts containing only intact particles and compacts containing one or more particles whose SiC layers failed during safety testing. In both cases, PARFUME globally over-predicted the experimental release fractions by several orders of magnitude: more than three (intact) and two (failed SiC) orders of magnitude for silver, more than three and up to two orders of magnitude for strontium, and up to two and more than one orders of magnitude for krypton. The release of cesium from intact particles was also largely over-predicted (by up to five orders of magnitude) but its release from particles with failed SiC was only over-predicted by a factor of about 3. These over-predictions can be largely attributed to an over-estimation of the diffusivities used in the modeling of fission product transport in TRISO-coated particles. The integral release nature of the data makes it difficult to estimate the individual over-estimations in the kernel or each coating layer. Nevertheless, a tentative assessment of correction factors to these diffusivities was performed to enable a better match between the modeling predictions and the safety testing results. The method could only be successfully applied to silver and cesium. In the case of strontium, correction factors could not be assessed because potential release during the safety tests could not be distinguished from matrix content released during irradiation. Furthermore, in the case of krypton, all the coating layers are partly retentive and the available data did not allow the level of retention in individual layers to be determined, hence preventing derivation of any correction factors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗