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At least 1,747 records · Page 97

Self-induced flavor conversion of supernova neutrinos on small scales

Self-induced flavor conversion of supernova (SN) neutrinos is a generic feature of neutrino-neutrino dispersion. The corresponding run-away modes in flavor space can spontaneously break the original symmetries of the neutrino flux and in particular can spontaneously produce small-scale features as shown in recent schematic studies. However, the unavoidable “multi-angle matter effect” shifts these small-scale instabilities into regions of matter and neutrino density which are not encountered on the way out from a SN. The traditional modes which are uniform on the largest scales are most prone for instabilities and thus provide the most sensitive test for the appearance of self-induced flavor conversion. As a by-product we clarify the relation between the time evolution of an expanding neutrino gas and the radial evolution of a stationary SN neutrino flux. Our results depend on several simplifying assumptions, notably stationarity of the solution, the absence of a “backward” neutrino flux caused by residual scattering, and global spherical symmetry of emission.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Initial Comparison of Direct and Legacy Modeling Approaches for Radial Core Expansion Analysis

Radial core expansion in sodium-cooled fast reactors provides an important reactivity feedback effect. As the reactor power increases due to normal start up conditions or accident scenarios, the core and surrounding materials heat up, causing both grid plate expansion and bowing of the assembly ducts. When the core restraint system is designed correctly, the resulting structural deformations introduce negative reactivity which decreases the reactor power. Historically, an indirect procedure has been used to estimate the reactivity feedback due to structural deformation which relies upon perturbation theory and coupling legacy physics codes with limited geometry capabilities. With advancements in modeling and simulation, radial core expansion phenomena can now be modeled directly, providing an assessment of the accuracy of the reactivity feedback coefficients generated by indirect legacy methods. Recently a new capability was added to the PROTEUS-SN unstructured geometry neutron transport solver to analyze deformed meshes quickly and directly. By supplying the deformed mesh in addition to the base configuration input files, PROTEUS-SN automatically processes material adjustments including calculation of region densities to conserve mass, calculation of isotopic densities according to material models (for example, sodium density as a function of temperature), and subsequent re-homogenization of materials. To verify the new capability of directly simulating deformed meshes, PROTEUS-SN was used to compute reactivity feedback for a series of contrived yet representative deformed configurations for the Advanced Burner Test Reactor design. The indirect legacy procedure was also performed to generate reactivity feedback coefficients for the same deformed configurations. Interestingly, the legacy procedure consistently overestimated reactivity feedbacks by 35% compared to direct simulations by PROTEUS-SN. This overestimation indicates that the legacy procedures are in fact not conservative and could be overestimating reactivity feedback effects that are closely tied to reactor safety. We conclude that there is indeed value in performing direct simulation of deformed meshes despite the increased computational expense. PROTEUS-SN is already part of the SHARP multi-physics toolkit where both thermal hydraulics and structural mechanical feedback modeling can be applied but this is the first comparison of direct simulation to legacy techniques for radial core expansion.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Experimental platforms for investigating feature-driven jets for HED mix model validation

High-energy-density (HED) systems, such as inertial confinement fusion (ICF), are susceptible to hydrodynamic instabilities that can significantly affect both experimental results and modeling predictions. Isolated features, such as fill tubes or divots in the capsule, can cause material to jet as a result of the compressive shock exciting the Richtmyer–Meshkov instability, and serve as one of the primary degradation mechanisms in ICF yield. Simulations of feature-driven jets and how they mix require extensive experimental validation, particularly for understanding to what degree the initial size and shape of a feature influence jet dynamics, and how much instability feeds through downstream layers. A better understanding of feature-driven jetting can improve our mix modeling capabilities and increase hydrodynamic simulation accuracy. This manuscript describes a series of experimental platforms fielded by Los Alamos National Laboratory as a part of the Mshock Omega 60 and ModCons Omega EP campaigns to explore feature-driven jetting. These platforms are designed to benchmark jet evolution and growth as a function of initial feature size and shape, investigate jet-layer interactions leading to instability feedthrough, and will be used to characterize jet-jet interactions resulting from clusters of features. In conclusion, preliminary results for both platforms are shown. The ModCons experiments are on-going, and a discussion of future work directions is included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Comparative analysis of plasticity-based GND density estimation methods in crystal plasticity finite element models

In crystal plasticity finite element (CPFE) simulations, accurately quantifying geometrically necessary dislocations (GNDs) is critical for capturing strain gradients in polycrystals. We compare different methods for quantifying GNDs, all of which originate from the Nye tensor, which is computed as the curl of the plastic deformation gradient. The projection technique directly decomposes the Nye tensor onto individual screw and edge dislocation components to compute GNDs. This approach requires converting a nine-component Nye tensor into densities for a larger number of dislocation systems, a fundamentally underdetermined (non-unique) process, which is resolved using L2 minimization. In contrast, when employing CPFE analysis, one could directly compute dislocation densities on each slip system using shear gradients. Projection and slip gradient methods are compared with respect to their prediction of GNDs with changing grain size, strain, and grain neighborhoods, including multigrain junctions. Although these techniques match analytical GND densities for single slip, single crystal deformation, and are consistent with anticipated overall GND trends, we find that the GND densities from projection techniques are significantly lower than those predicted from CPFE-based slip gradients in polycrystals. A suggested improvement of only using the active dislocation systems in the projection technique almost entirely resolved this mismatch.

Crystal plasticity↗

Interpretive Tools for Analysis of Coronal Images

Contents include list of publications resulting from grant: Magneto-Hydrodynamic Model of the Solar Corona and Interplanetary Medium. Coronal magnetic field topology and source of fast solar wind. Geophysical Importance of Global Magnetic Field Geometry and Density Distribution in Solar Wind Modeling. Empirical Model of the Corona-Solar Wind with Multiple Current Sheets. Model of the Solar Wind and its Comparison with ULYSSES. Physical properties of a coronal hole from a coronal diagnostic spectrometer, Mauna Loa Coronagraph, and LASCO observations during the Whole Sun Month. Semi-Empirical 2-D MHD Model of the Solar corona and Solar Wind: Energy Flow in the Corona. Source Region of High and Low Speed Wind during the Spartan. Three-dimensional coronal density structure. Cone Model for Halo CME's: Application to Space Weather Forecasting.

Ofman, Leon↗

(U) Pre-shot Report: Complex Loading of CeO 2 Powder

A cylindrically converging shock compaction experiment is designed utilizing the Precision High Energy-density Liner Implosion eXperiment (PHELIX) platform to dynamically load CeO 2 powder. Parametric analyses investigating the effect of PHELIX cassette geometry, PHELIX total capacitor charge, and powder compaction model on the predicted shocked density profile of the CeO 2 powder are performed using the LANL codes FLAG and RAVEN. One PHELIX cassette geometry is designed to be used in two compaction experiments using PHELIX capacitor charges of 85 and 90 kV. Predictions of the shocked density profile in the CeO 2 powder are presented for each experimental configuration using both the Ramp and P-α compaction models. The two compaction models predict shocked density profiles in the CeO 2 powder that are significantly different and should be distinguishable using proton radiography as a diagnostic.

36 MATERIALS SCIENCE↗

A multiphase three-dimensional multi-relaxation time (MRT) lattice Boltzmann model with surface tension adjustment

The interdependence of surface tension and density ratio is a weakness of pseudo-potential based lattice Boltzmann models (LB). In this paper, we propose a 3D multi-relaxation time (MRT) model for multiphase flows at large density ratios. The proposed model is capable of adjusting the surface tension independently of the density ratio. We also present the 3D macroscopic equations recovered by the proposed forcing scheme. A high order of isotropy for the interaction force is used to reduce the amplitude of spurious currents. The proposed 3D-MRT model is validated by verifying Laplace's law and by analyzing its thermodynamic consistency and the oscillation period of a deformed droplet. The model is then applied to the simulation of the impact of a droplet on a dry surface. Impact dynamics are determined and the maximum spread factor calculated for different Reynolds and Weber numbers. The numerical results are in agreement with data published in the literature. The influence of surface wettability on the spread factor is also investigated. Finally, our 3D-MRT model is applied to the simulation of the impact of a droplet on a wet surface. The propagation of transverse waves is observed on the liquid surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Galaxy clusters and cold dark matter - A low-density unbiased universe?

Large-scale simulations of a universe dominated by cold dark matter (CDM) are tested against two fundamental properties of clusters of galaxies: the cluster mass function and the cluster correlation function. We find that standard biased CDM models are inconsistent with these observations for any bias parameter b. A low-density, low-bias CDM-type model, with or without a cosmological constant, appears to be consistent with both the cluster mass function and the cluster correlations. The low-density model agrees well with the observed correlation function of the Abell, Automatic Plate Measuring Facility (APM), and Edinburgh-Durham cluster catalogs. The model is in excellent agreement with the observed dependence of the correlation strength on cluster mean separation, reproducing the measured universal dimensionless cluster correlation. The low-density model is also consistent with other large-scale structure observations, including the APM angular galaxy-correlations, and for lambda = 1-Omega with the COBE results of the microwave background radiation fluctuations.

Bahcall, Neta A.↗

A Comparison of Exact and Model Exchange–Correlation Potentials for Molecules

Accurate exchange–correlation (XC) potentials for three-dimensional systems–via solution of the inverse density functional theory (DFT) problem–are now available to test the quality of DFT approximations. Herein, the exact XC potential for seven molecules–dihydrogen at four different bond-lengths, lithium hydride, water, and ortho-benzyne–are computed from full configuration interaction reference densities. These are compared to model XC potentials from nonlocal (B3LYP, HSE06, SCAN0, and M08-HX) and semilocal/local (SCAN, PBE, and PW92) XC functionals. Whereas for most systems, relative errors in the ground-state densities are O(10 –3 –10 –2 ) , the model XC potentials have much higher errors of O(10 –1 –10 0 ) . Among the model XC functionals, SCAN0 offers the best agreement with the exact XC potential, underlining the significance of satisfying exact conditions as well as including nonlocal effects in XC functionals. This work indicates that tests against the exact XC potential will provide a promising new direction for building more accurate XC functionals for DFT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Proton and Λ flow and the equation of state at high density

Results on proton and Λ flow, calculated with the UrQMD model that incorporates different realistic density dependent equations of state, are presented. It is shown that the proton and hyperon flow shows sensitivity to the equation of state and especially to the appearance of a phase transition at densities below 4n0. Even though qualitatively hyperons and protons exhibit the same beam energy dependence of the flow, the quantitative results are different. In this context it is suggested that the hyperon measurements can be used to study the density dependence of the hyperon interaction in high density QCD matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Application of a Gaussian multilayer diffusion model to characterize dispersion of vertical HCl column density in rocket exhaust clouds

Solid rocket exhaust cloud dispersion cases, based on seven meteorological regimes for overland advection in the Cape Canaveral, Florida, area, are examined for launch vehicle environmental impacts. They include a space shuttle case and all seven meteorological cases for the Titan 3, which exhausts 60% less HC1. The C(HC1) decays are also compared with recent in cloud peak HC1 data from eight Titan 3 launches. It is stipulated that while good overall agreement provides validation of the model, its limitations are considerable and a dynamics model is needed to handle local convective situations.

Pellett, G. L.↗

Plasma density features associated with strong convection in the winter high-latitude F region

A single plasma convection model was combined with an ionospheric-atmospheric composition model to study plasma density features associated with string convection in the winter high-latitude F region. Time dependent, three-dimensional, ion density distributions for NO(+), O2(+), N2(+), O(+) and He(+) were produced, and the ionosphere above 42 deg N magnetic latitude was covered for 24 hours. The study found that for strong and weak convection, electron density exhibited a variation with altitude, latitude, longitude and universal time. Ionospheric features were evident for strong convection, but modified in comparison with those found for slow convection. Also found for strong convection was a more pronounced tongue of ionization, the appearance of a new polar hole in the polar cap, and a midlatitude electron density trough that was not as deep as found for a weak convection. In addition, good agreement was found between predictions and Atmosphere Explorer measurements of ion composition variation with latitude and local time.

Sojka, J. J.↗

More Realistic Intermediate Depth Dry Firn Densification in the Energy Exascale Earth System Model (E3SM)

Abstract Earth system models account for seasonal snow cover, but many do not accommodate the deeper snowpack on ice sheets (aka firn) that slowly transforms to ice under accumulating snowfall. To accommodate and resolve firn depths of up to 60 m in the Energy Exascale Earth System Model's land surface model (ELM), we add 11 layers to its snowpack and evaluate three dry snow compaction equations in multi‐century simulations. After comparing results from ELM simulations (forced with atmospheric reanalysis) with empirical data, we find that implementing into ELM a two‐stage firn densification model produces more accurate dry firn densities at intermediate depths of 20–60 m. Compared to modeling firn using the equations in the (12 layer) Community Land Model (version 5), switching to the two‐stage firn densification model (with 16 layers) significantly decreases root‐mean‐square errors in upper 60 m dry firn densities by an average of 41 kg m −3 (31%). Simulations with three different firn density parameterizations show that the two‐stage firn densification model should be used for applications that prioritize accurate upper 60 m firn air content (FAC) in regions where the mean annual surface temperature is greater than roughly −31°C. Because snow metamorphism, firn density, and FAC are major components in modeling ice sheet surface albedo, melt water retention, and climatic mass balance, these developments advance broader efforts to simulate the response of land ice to atmospheric forcing in Earth system models.

58 GEOSCIENCES↗

Bulk viscosity from Urca processes: npeμ matter in the neutrino-trapped regime

In this work, we extend our previous study of the bulk viscosity of hot and dense npe matter induced by the Urca process in the neutrino trapped regime to npeμ matter by adding the muonic Urca processes as well as the purely leptonic electroweak processes involving electron-muon transition. Here, the nuclear matter is modeled in a relativistic density functional approach with two different parametrizations which predict neutrino dominated matter (DDME2 model) and anti-neutrino dominated matter (NL3 model) at temperatures for which neutrinos/anti-neutrinos are trapped. In the case of neutrino-dominated matter, the main equilibration mechanism is lepton capture, whereas in the case of antineutrino-dominated matter this is due to neutron decay. We find that the equilibration rates of Urca processes are higher than that of the pure leptonic processes, which implies that the Urca bulk viscosity can be computed with the leptonic reactions assumed to be frozen. We find that the bulk viscosity decreases with temperature as ζ~T –2 at moderate temperatures. At high temperatures this scaling breaks down by sharp drops of the bulk viscosity close to the temperature where the proton fraction is density-independent and the matter becomes scale-invariant. This occurs also when the matter undergoes a transition from the antineutrino-dominated regime to the neutrino-dominated regime where the bulk viscosity attains a local maximum. We also estimate the bulk viscous dissipation timescales and find that these are in the range ≳ 1 s for temperatures above the neutrino trapping temperature. These timescales would be relevant only for long-lived objects formed in binary neutron star mergers and hot proto-neutron stars formed in core-collapse supernovas.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Investigating calcite growth rates using a quartz crystal microbalance with dissipation (QCM-D)

Calcite precipitation plays a significant role in processes such as geological carbon sequestration and toxic metal sequestration and, yet, the rates and mechanisms of calcite growth under close to equilibrium conditions are far from well understood. In this study, a quartz crystal microbalance with dissipation (QCM-D) was used for the first time to measure macroscopic calcite growth rates. Calcite seed crystals were first nucleated and grown on sensors, then growth rates of calcite seed crystals were measured in real-time under close to equilibrium conditions (saturation index, SI = log ({Ca 2+ }/{CO 3 2– }/ K sp ) = 0.01–0.7, where {i} represent ion activities and K sp = 10 –8.48 is the calcite thermodynamic solubility constant). At the end of the experiments, total masses of calcite crystals on sensors measured by QCM-D and inductively coupled plasma mass spectrometry (ICP-MS) were consistent, validating the QCM-D measurements. Calcite growth rates measured by QCM-D were compared with reported macroscopic growth rates measured with auto-titration, ICP-MS, and microbalance. Calcite growth rates measured by QCM-D were also compared with microscopic growth rates measured by atomic force microscopy (AFM) and with rates predicted by two process-based crystal growth models. The discrepancies in growth rates among AFM measurements and model predictions appear to mainly arise from differences in step densities, and the step velocities were consistent among the AFM measurements as well as with both model predictions. Using the predicted steady-state step velocity and the measured step densities, both models predict well the growth rates measured using QCM-D and AFM. Furthermore, this study provides valuable insights into the effects of reactive site densities on calcite growth rate, which may help design future growth models to predict transient-state step densities.

58 GEOSCIENCES↗

VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactions

To better represent the solvation effects observed along reaction pathways, and of ionic species in general, a charge-dependent variable-radii smooth conductor-like screening model (VR-SCOSMO) is developed. This model is implemented and parameterized with a third order density-functional tight binding quantum model, DFTB3/3OB-OPhyd, a quantum method which was developed for organic and biological compounds, utilizing a specific parameterization for phosphate hydrolysis reactions. Unlike most other applications with the DFTB3/3OB model, an auxiliary set of atomic multipoles is constructed from the underlying DFTB3 density matrix which is used to interact the solute with the solvent response surface. The resulting method is variational, produces smooth energies, and has analytic gradients. As a baseline, a conventional SCOSMO model with fixed radii is also parameterized. The SCOSMO and VR-SCOSMO models shown have comparable accuracy in reproducing neutral-molecule absolute solvation free energies; however, the VR-SCOSMO model is shown to reduce the mean unsigned errors (MUEs) of ionic compounds by half (about 2-3 kcal/mol). The VR-SCOSMO model presents similar accuracy as a charge-dependent Poisson-Boltzmann model introduced by Hou et al. [J. Chem. Theory Comput. 6, 2303 (2010)]. VR-SCOSMO is then used to examine the hydrolysis of trimethylphosphate and seven other phosphoryl transesterification reactions with different leaving groups. Two-dimensional energy landscapes are constructed for these reactions and calculated barriers are compared to those obtained from ab initio polarizable continuum calculations and experiment. Results of the VR-SCOSMO model are in good agreement in both cases, capturing the rate-limiting reaction barrier and the nature of the transition state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimating canopy fuel characteristics for predicting crown fire potential in common forest types of the Atlantic Coastal Plain, USA

We computed four stand-level canopy stratum variables important for crown fire modelling – canopy cover, stand height, canopy base height and canopy bulk density – from forest inventory data. We modelled the relationship between the canopy variables and a set of common inventory parameters – site index, stem density, basal area, stand age or stand height – and number of prescribed burns. We used a logistic model to estimate canopy cover, a linear model to estimate the other canopy variables, and the information theoretic approach for model selection. Coefficients of determination across five forest groups were 0.72–0.91 for stand height, 0.36–0.83 for canopy base height, 0.39–0.80 for canopy cover, and 0.63–0.78 for canopy bulk density. We assessed crown fire potential (1) for several sets of environmental conditions in all seasons, and (2) with increasing age, density and number of prescribed burns using our modelled canopy bulk density and canopy base height variables and local weather data to populate the Crown Fire Initiation and Spread model. Results indicated that passive crown fire is possible in any season in Atlantic coastal plain pine stands with heavy surface fuel loads and active crown fire is most probable in infrequently burned, dense stands at low fuel moistures.

Forestry↗

Relativistic Modeling Capabilities in Perseus Extended MHD Simulation Code for HED Plasmas

This project is submitted in response to DE-FOA-0001153, and will be carried out by Dr. Charles Seyler and Dr. Nathaniel Hamlin as post doc under the direction of Professor Seyler. The objectives are to enable PERSEUS to self-consistently model relativistic high-energy-density (HED) laboratory and astrophysical phenomena. Electrons and ions in a plasma are generally modeled either as fluids using a two-fluid code, like PERSEUS, or as particles using a Particle-In- Cell (PIC) code. Nonrelativistic PERSEUS solves the two-fluid equations, formulated in terms of a generalized Ohm’s law (GOL), so as to model about nine orders of magnitude in density variation using a local semi-implicit method. Relativistic PERSEUS preserves this structure and therefore retains these advantageous properties, enabling it to model a broader range of relativistic HED phenomena than previous codes. We have also overcome a major technical challenge associated with solving a relativistic system of equations relating conserved quantities (momentum, energy, etc.) to primitive variables (density, velocity, and pressure). We have thus far developed a relativistic version of PERSEUS and demonstrated that it recovers expected nonrelativistic results. We are currently using relativistic PERSEUS to model two HED phenomena, namely laser-plasma interactions and X-pinches, both of which show spectroscopic evidence of relativistic electrons. In an X-pinch, a section of wire carrying sufficiently large current forms a plasma column that pinches down to a point-like source, generating X-rays for use in radiographic imaging. Laser-plasma interactions have been simulated using PIC codes, and we use their results as a benchmark for comparison. However, neither PIC codes nor existing two-fluid schemes can simulate X-pinches, due to the broad range of densities which have thus far made such a simulation computationally prohibitive. In both laser-plasma interaction and Xpinch simulations, we have observed relativistic phenomena that PERSEUS could not previously model. This includes relativistic channeling of a laser into an over-dense deuterium gas (i.e. induced transparency), consistent with PIC simulation results, along with energetic electrons and ions following an X-pinch and likely accompanied by strong X-ray emission, consistent with experimental observations of energetic X-rays. This proposal includes our latest simulation results. We will improve computational efficiency with techniques that allow the use of a less refined numerical grid. This will enable extensions to three-dimensional geometries. We will improve modeling of laser-plasma interactions and X-pinches, including radiative transport processes, in order to improve comparisons with PIC simulations and experimental diagnostics. We will also model power loss through electrode surface plasmas in magnetically insulated transmission lines (MITLs). We will model relativistic astrophysical phenomena in both astrophysical and HED regimes, which could shed light on the validity of laboratory astrophysics for certain problems. These phenomena are currently modeled using PIC codes and existing relativistic two-fluid codes, neither of which can model the range of length scales of which relativistic PERSEUS is capable. There is strong potential for this project to have a broad impact on both the astrophysical and laboratory plasma communities. In the laboratory community, our work is applicable to those concerned with laser-plasma interactions such as laser-driven fusion, and those in the dense Z pinch community concerned with X-pinches and electrode surface plasmas. An improved understanding of the mechanisms of hard (i.e. high-energy) X-ray generation will likely make important contributions toward the use of X-pinches for radiography through the harnessing or mitigation of hard X-rays, depending on the application. The modeling of electrode surface plasmas, including vacuum electron flow, will improve our understanding of power loss to various loads.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗