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NASA NTRS2003

Magnetohydrodynamic Jump Conditions for Oblique Relativistic Shocks with Gyrotropic Pressure

Shock jump conditions, i.e., the specification of the downstream parameters of the gas in terms of the upstream parameters, are obtained for steady-state, plane shocks with oblique magnetic fields and arbitrary flow speeds. This is done by combining the continuity of particle number flux and the electromagnetic boundary conditions at the shock with the magnetohydrodynamic conservation laws derived from the stress-energy tensor. For ultrarelativistic and nonrelativistic shocks, the jump conditions may be solved analytically. For mildly relativistic shocks, analytic solutions are obtained for isotropic pressure using an approximation for the adiabatic index that is valid in high sonic Mach number cases. Examples assuming isotropic pressure illustrate how the shock compression ratio depends on the shock speed and obliquity. In the more general case of gyrotropic pressure, the jump conditions cannot be solved analytically with- out additional assumptions, and the effects of gyrotropic pressure are investigated by parameterizing the distribution of pressure parallel and perpendicular to the magnetic field. Our numerical solutions reveal that relatively small departures from isotropy (e.g., approximately 20%) produce significant changes in the shock compression ratio, r , at all shock Lorentz factors, including ultrarelativistic ones, where an analytic solution with gyrotropic pressure is obtained. In particular, either dynamically important fields or significant pressure anisotropies can incur marked departures from the canonical gas dynamic value of r = 3 for a shocked ultrarelativistic flow and this may impact models of particle acceleration in gamma-ray bursts and other environments where relativistic shocks are inferred. The jump conditions presented apply directly to test-particle acceleration, and will facilitate future self-consistent numerical modeling of particle acceleration at oblique, relativistic shocks; such models include the modification of the fluid velocity profile due to the contribution of energetic particles to the momentum and energy fluxes.

Double, Glen P.↗

DOE OSTI2026

The impact of aerosol mixing state on immersion freezing: insights from classical nucleation theory and particle-resolved simulations

Immersion freezing, initiated by ice-nucleating particles (INPs) in supercooled aqueous droplets, plays an important role in the formation of ice crystals within clouds. The efficiency of immersion freezing depends strongly on INP composition and, crucially, on the mixing state – how chemical species are distributed across the particle population. Here, we quantify the impact of aerosol mixing state on immersion freezing using a combined theoretical and particle-resolved modeling approach. We derive analytical expressions for the frozen fraction of internally and externally mixed INP populations based on classical nucleation theory, showing that the frozen fraction is sensitive to whether ice-active species are present in all particles or only in a subset of the population. We introduce a multi-species immersion freezing scheme into the particle-resolved model PartMC, using the water activity-based immersion freezing model (ABIFM) to compute freezing probabilities for mixed-composition particles. To improve computational efficiency, we implement a Binned Tau-Leaping algorithm and demonstrate an order-of-magnitude speedup with minimal accuracy loss. Simulations reproduce the analytical trends in limiting cases and extend the analysis to more general aerosol populations, where mixing state continues to exert a substantial control on frozen fraction. Sensitivity analyses across particle size, species type, and cooling condition reveal that the mixing state effect is most pronounced when small amounts of highly efficient INPs are mixed with less efficient materials. These findings underscore the need to represent aerosol mixing state explicitly in models of heterogeneous ice nucleation to reduce uncertainty in cloud-phase partitioning.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Evidence for dark matter interactions in cosmological precision data?

We study a two-parameter extension of the cosmological standard model ΛCDM in which cold dark matter interacts with a new form of dark radiation. The two parameters correspond to the energy density in the dark radiation fluid Δ N fluid and the interaction strength between dark matter and dark radiation. The interactions give rise to a very weak "dark matter drag" which damps the growth of matter density perturbations throughout radiation domination, allowing to reconcile the tension between predictions of large scale structure from the CMB and direct measurements of σ 8 . We perform a precision fit to Planck CMB data, BAO, large scale structure, and direct measurements of the expansion rate of the universe today. Our model lowers the χ-squared relative to ΛCDM by about 12, corresponding to a preference for non-zero dark matter drag by more than 3σ. Particle physics models which naturally produce a dark matter drag of the required form include the recently proposed non-Abelian dark matter model in which the dark radiation corresponds to massless dark gluons.

cosmological parameters from CMB↗

DOE OSTI2014

Verification of sub-grid filtered drag models for gas-particle fluidized beds with immersed cylinder arrays

The accuracy of coarse-grid multiphase CFD simulations of fluidized beds may be improved via the inclusion of filtered constitutive models. In our previous study (Sarkar et al., Chem. Eng. Sci., 104, 399-412), we developed such a set of filtered drag relationships for beds with immersed arrays of cooling tubes. Verification of these filtered drag models is addressed in this work. Predictions from coarse-grid simulations with the sub-grid filtered corrections are compared against accurate, highly-resolved simulations of full-scale turbulent and bubbling fluidized beds. The filtered drag models offer a computationally efficient yet accurate alternative for obtaining macroscopic predictions, but the spatial resolution of meso-scale clustering heterogeneities is sacrificed.

42 ENGINEERING↗

DOE OSTI2024

Implementation of the Glued Sphere Discrete Element Model for Non-Spherical Particles in MFiX Software

To enhance solver capabilities, simulation flexibility and model validation within the MFiX software, the U.S. Department of Energy (DOE) is funding efforts to develop and integrate the glued-sphere discrete element method into the latest version of MFiX as a dedicated computational module. The glued-sphere discrete element method is a numerical technique to depict the behavior of non-spherical particles in granular flows or particulate systems by representing them as a collection of component spheres. These spheres are bonded together to approximate the shape and mechanical/chemical properties of a more complex particle. The method effectively reuses the existing sphere-sphere collision algorithm, interphase momentum and heat transfer calculations utilized in the traditional discrete element method, extending these capabilities to non-spherical particles. Additionally, this method explicitly resolves intra-particle temperature and species distributions. The MFiX glued-sphere computational module includes tools for generating glued sphere configurations, a dedicated solver, and visualization capabilities in post-processing. More specifically within the computational module, collision detection and calculations were first performed on component spheres and then mapped onto non-spherical particles. The linear spring-dashpot model was utilized to simulate the sphere-sphere interactions.

Ke, Renjie↗

DOE OSTI2014

Dispersion of Radionuclides and Exposure Assessment in Urban Environments: A Joint CEA and LLNL Report

In the interest of promoting the international exchange of technical expertise, the US Department of Energy’s Office of Emergency Operations (NA-40) and the French Commissariat à l'Energie Atomique et aux énergies alternatives (CEA) requested that the National Atmospheric Release Advisory Center (NARAC) of Lawrence Livermore National Laboratory (LLNL) in Livermore, California host a joint table top exercise with experts in emergency management and atmospheric transport modeling. In this table top exercise, LLNL and CEA compared each other’s flow and dispersion models. The goal of the comparison is to facilitate the exchange of knowledge, capabilities, and practices, and to demonstrate the utility of modeling dispersal at different levels of computational fidelity. Two modeling approaches were examined, a regional scale modeling approach, appropriate for simple terrain and/or very large releases, and an urban scale modeling approach, appropriate for small releases in a city environment. This report is a summary of LLNL and CEA modeling efforts from this exercise. Two different types of LLNL and CEA models were employed in the analysis: urban-scale models (Aeolus CFD at LLNL/NARAC and Parallel- Micro-SWIFT-SPRAY, PMSS, at CEA) for analysis of a 5,000 Ci radiological release and Lagrangian Particle Dispersion Models (LODI at LLNL/NARAC and PSPRAY at CEA) for analysis of a much larger (500,000 Ci) regional radiological release. Two densely-populated urban locations were chosen: Chicago with its high-rise skyline and gridded street network and Paris with its more consistent, lower building height and complex unaligned street network. Each location was considered under early summer daytime and nighttime conditions. Different levels of fidelity were chosen for each scale: (1) lower fidelity mass-consistent diagnostic, intermediate fidelity Navier-Stokes RANS models, and higher fidelity Navier-Stokes LES for urban-scale analysis, and (2) lower-fidelity single-profile meteorology versus higher-fidelity three-dimensional gridded weather forecast for regional-scale analysis. Tradeoffs between computation time and the fidelity of the results are discussed for both scales. LES, for example, requires nearly 100 times more processor time than the mass-consistent diagnostic model or the RANS model, and seems better able to capture flow entrainment behind tall buildings. As anticipated, results obtained by LLNL and CEA at regional scale around Chicago and Paris look very similar in terms of both atmospheric dispersion of the radiological release and total effective dose. Both LLNL and CEA used the same meteorological data, Lagrangian particle dispersion models, and the same dose coefficients. LLNL and CEA urban-scale modeling results show consistent phenomenological behavior and predict similar impacted areas even though the detailed 3D flow patterns differ, particularly for the Chicago cases where differences in vertical entrainment behind tall buildings are particularly notable. Although RANS and LES (LLNL) models incorporate more detailed physics than do mass-consistent diagnostic flow models (CEA), it is not possible to reach definite conclusions about the prediction fidelity of the various models as experimental measurements were not available for comparison. Stronger conclusions about the relative performances of the models involved and evaluation of the tradeoffs involved in model simplification could be made with a systematic benchmarking of urban-scale modeling. This could be the purpose of a future US / French collaborative exercise.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1997

Magnetospheric Plasmas: A Direct Measurement of the Ionospheric Source

In a paper of more than a decade ago, the estimated the strength of the ionospheric source and its ability to supply the different plasma regions of the Earth's magnetosphere was reported. The launch of the POLAR spacecraft with the Thermal Ion Dynamics Experiment (TIDE) and the active control of spacecraft potential made possible for the first time the direct measurement of low energy ions moving from the ionosphere into the lobes of the magnetotail. This paper presents data taken during the period of operation of the Plasma Source Instrument (PSI) which maintains the spacecraft potential at about 1.8V positive with respect to the ambient plasma. These data give an in-situ observation of the strength and flow direction of the ionospheric plasmas as it moves outward into the lobes of the tail. A particle trajectory model has been used to trace particles back to the location of the ionospheric source and forward to the entry point of the ions to the plasma sheet. A comparison of measured data with the predictions of the earlier modeling effort will be discussed.

Giles, B. L.↗

DOE OSTI2011

Minimal hidden sector models for CoGeNT/DAMA events

Motivated by recent attempts to reconcile hints of direct dark matter detection by the CoGeNT and DAMA experiments, we construct simple particle physics models that can accommodate the constraints. We point out challenges for building reasonable models and identify the most promising scenarios for getting isospin violation and inelasticity, as indicated by some phenomenological studies. If inelastic scattering is demanded, we need two new light gauge bosons, one of which kinetically mixes with the standard model hypercharge and has mass <2 GeV, and another which couples to baryon number and has mass 6.8{+-}(0.1/0.2) GeV. Their interference gives the desired amount of isospin violation. The dark matter is nearly Dirac, but with small Majorana masses induced by spontaneous symmetry breaking, so that the gauge boson couplings become exactly off-diagonal in the mass basis, and the small mass splitting needed for inelasticity is simultaneously produced. If only elastic scattering is demanded, then an alternative model, with interference between the kinetically mixed gauge boson and a hidden sector scalar Higgs, is adequate to give the required isospin violation. In both cases, the light kinetically mixed gauge boson is in the range of interest for currently running fixed target experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2014

Low-mass right-handed sneutrino dark matter: SuperCDMS and LUX constraints and the Galactic Centre gamma-ray excess

Recent results from direct and indirect searches for dark matter (DM) have motivated the study of particle physics models that can provide weakly interacting massive particles (WIMPs) in the mass range 1–50 GeV. Viable candidates for light WIMP DM must fulfil stringent constraints. On the one hand, the observation at the LHC of a Higgs boson with Standard Model properties set an upper bound on the coupling of light DM particles to the Higgs, thereby making it difficult to reproduce the correct relic abundance. On the other hand, the recent results from direct searches in the CDMSlite, SuperCDMS and LUX experiments have set upper constraints on the DM scattering cross section. In this paper, we investigate the viability of light right-handed sneutrino DM in the Next-to-Minimal Supersymmetric Model (NMSSM) in the light of these constraints. To this aim, we have carried out a scan in the NMSSM parameter space, imposing experimental bounds on the Higgs sector and low-energy observables, such as the muon anomalous magnetic moment and branching ratios of rare decays. We demonstrate that the enlarged Higgs sector of the NMSSM, together with the flexibility provided by the RH sneutrino parameters, make it possible to obtain viable RH sneutrino DM with a mass as light as 2 GeV. We have also considered the upper bounds on the annihilation cross section from Fermi LAT data on dwarf spheroidal galaxies, and extracted specific examples with mass in the range 8–50 GeV that could account for the apparent low-energy excess in the gamma-ray emission at the Galactic Centre. Then, we have computed the theoretical predictions for the elastic scattering cross-section of RH sneutrinos. Finally, after imposing the recent bounds from SuperCDMS and LUX, we have found a wide area of the parameter space that could be probed by future low-threshold direct detection experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Modern Muon Physics: Selected Issues

The muon was discovered almost hundred years ago, but still remains largely a mystery. For a long time, the only difference between a muon and an electron was the approximately 200 times greater mass of the muon. However, with the later discovery of the charm quantum number, the muon played a decisive role in the formulation of the Standard Model of elementary particles, determining together with muon neutrino and the strange s and the charm c quarks the second generation of particles of this model. The equality of the reaction constant of muon decay with the constant of the vector interaction of beta-decay played a decisive role in the formulation of the conservation of the vector current (CVC) of the weak interaction of elementary particles. Processes involving muons testified in favor of the partial conservation of the axial current of weak interaction (PCAC), that is, one pion exchange in the interaction of the lepton and hadron currents. It was the muon that gave a rise to hopes of creating an alternative energy source within the framework of Muon Catalyzed Fusion (μCF). The possible realization of this process in the future as the intensity of muon beams increases can revolutionired energy supply. Nuclear fission by muons and the study of heavy-nucleus mesoatoms introduced muon physics into several separate branches of physical research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Particle-in-cell Monte Carlo-collision modeling of non-ideal effects in wave-heated dense microplasmas

A computational model for non-ideal plasma effects during the time evolution of a second-stage laser-heated discharge at high pressures is presented. The model extends a classical one-dimensional particle-in-cell Monte Carlo-collision (PIC-MCC) approach coupled with Maxwell's equations for the laser-heating process of a xenon plasma at 300 K temperature and 10–100 bar pressure. Plasma non-ideality resulting from Coulomb coupling at high plasma densities is manifested as a depression in the effective ionization potential of atoms and enhanced collision cross sections. These non-ideal effects are represented using the Ecker–Kröll model in the context of the PIC-MCC approach. We find that full ionization of the plasma is obtained on the picosecond timescale, starting from the skin layer and quickly expanding throughout the domain through an anomalous extension of the skin depth. More critically, we show that the inclusion of the non-ideal plasma effects results in more rapid ionization compared to an ideal plasma, especially at higher pressures. The ionization delay reduction is of the order of a fraction of a picosecond, corresponding to a 16% decrease at 100 bar. As the amplitude of the wave field is lowered, the ionization rate is lowered, making the plasma non-ideality effects more prominent.

Solmaz, Evrim (ORCID:0000000211830881)↗

DOE OSTI2015

Braids as a representation space of SU(5)

The standard model of particle physics provides very accurate predictions of phenomena occurring at the sub-atomic level, but the reason for the choice of symmetry group and the large number of particles considered elementary is still unknown. Along the lines of previous preon models positing a substructure to explain these aspects, Bilson-Thompson showed how the first family of elementary particles is realized as the crossings of braids made of three strands, with charges resulting from twists of those strands with certain conditions; in this topological model, there are only two distinct neutrino states. Modeling the particles as braids implies these braids must be the representation space of a Lie algebra, giving the symmetries of the standard model. In this paper, this representation is made explicit, obtaining the raising operators associated with the Lie algebra of SU(5), one of the earliest grand unified theories. Because the braids form a group, the action of these operators are braids themselves, leading to their identification as gauge bosons. Possible choices for the other two families are also given. Although this realization of particles as braids is lacking a dynamical framework, it is very suggestive, especially when considered as a natural method of adding matter to loop quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Development and Validation of Dense Discrete Phase Flow Models for Concentrating Solar Power Particle Receivers

This report summarizes a recent project aimed at developing and validating the necessary tools to enable more accurate modeling of denser and more complex particle flows in next-generation particle receivers used in concentrating solar power towers. A newly developed CFD/DEM simulation capability was created by coupling existing the modeling and simulation tools Sierra and LAMMPS. This new capability permitted the inclusion of additional physics for particle drag and particle collisions to model

14 SOLAR ENERGY↗

NASA NTRS1996

Particle Injection in the Cir X-1 radio outbursts

A particle injection model has been applied to the radio outbursts of the X-ray binary Circinus X-1. The radio outbursts of this system have often been observed to exhibit a double peaked structure, i.e., with two apparent consecutive maxima. We show here that particle injection models can account for such observed behavior provided that a time variable particle injection rate is adopted.

stars Circinus X-1 Cir X-1 stars radio radiation o↗

DOE OSTI2021

The benefits of diligence: how precise are predicted gravitational wave spectra in models with phase transitions?

Models of particle physics that feature phase transitions typically provide predictions for stochastic gravitational wave signals at future detectors and such predictions are used to delineate portions of the model parameter space that can be constrained. The question is: how precise are such predictions? Uncertainties enter in the calculation of the macroscopic thermal parameters and the dynamics of the phase transition itself. We calculate such uncertainties with increasing levels of sophistication in treating the phase transition dynamics. Currently, the highest level of diligence corresponds to careful treatments of the source lifetime; mean bubble separation; going beyond the bag model approximation in solving the hydrodynamics equations and explicitly calculating the fraction of energy in the fluid from these equations rather than using a fit; and including fits for the energy lost to vorticity modes and reheating effects. The lowest level of diligence incorporates none of these effects. We compute the percolation and nucleation temperatures, the mean bubble separation, the fluid velocity, and ultimately the gravitational wave spectrum corresponding to the level of highest diligence for three explicit examples: SMEFT, a dark sector Higgs model, and the real singlet-extended Standard Model (xSM). In each model, we contrast different levels of diligence in the calculation and find that the difference in the final predicted signal can be several orders of magnitude. Our results indicate that calculating the gravitational wave spectrum for particle physics models and deducing precise constraints on the parameter space of such models continues to remain very much a work in progress and warrants care.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

A fast particle-based approach for calibrating a 3-D model of the Antarctic ice sheet

We consider the scientifically challenging and policy-relevant task of understanding the past and projecting the future dynamics of the Antarctic ice sheet. The Antarctic ice sheet has shown a highly nonlinear threshold response to past climate forcings. Triggering such a threshold response through anthropogenic greenhouse gas emissions would drive drastic and potentially fast sea level rise with important implications for coastal flood risks. Previous studies have combined information from ice sheet models and observations to calibrate model parameters. These studies have broken important new ground but have either adopted simple ice sheet models or have limited the number of parameters to allow for the use of more complex models. These limitations are largely due to the computational challenges posed by calibration as models become more computationally intensive or when the number of parameters increases. Here, we propose a method to alleviate this problem: a fast sequential Monte Carlo method that takes advantage of the massive parallelization afforded by modern high-performance computing systems. We use simulated examples to demonstrate how our sample-based approach provides accurate approximations to the posterior distributions of the calibrated parameters. The drastic reduction in computational times enables us to provide new insights into important scientific questions, for example, the impact of Pliocene era data and prior parameter information on sea level projections. These studies would be computationally prohibitive with other computational approaches for calibration such as Markov chain Monte Carlo or emulation-based methods. We also find considerable differences in the distributions of sea level projections when we account for a larger number of uncertain parameters. For example, based on the same ice sheet model and data set, the 99th percentile of the Antarctic ice sheet contribution to sea level rise in 2300 increases from 6.5 m to 13.1 m when we increase the number of calibrated parameters from three to 11. With previous calibration methods, it would be challenging to go beyond five parameters. Here, this work provides an important next step toward improving the uncertainty quantification of complex, computationally intensive and decision-relevant models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2011

One-loop omega-potential of quantum fields with ellipsoid constant-energy surface dispersion law

Rapidly convergent expansions of a one-loop contribution to the partition function of quantum fields with ellipsoid constant-energy surface dispersion law are derived. The omega-potential is naturally decomposed into three parts: the quasiclassical contribution, the contribution from the branch cut of the dispersion law, and the oscillating part. The low- and high-temperature expansions of the quasiclassical part are obtained. An explicit expression and a relation of the contribution from the cut with the Casimir term and vacuum energy are established. The oscillating part is represented in the form of the Chowla-Selberg expansion of the Epstein zeta function. Various resummations of this expansion are considered. The general procedure developed is then applied to two models: massless particles in a box both at zero and nonzero chemical potential, and electrons in a thin metal film. Rapidly convergent expansions of the partition function and average particle number are obtained for these models. In particular, the oscillations of the chemical potential of conduction electrons in graphene and a thin metal film due to a variation of size of the crystal are described. - Highlights: > We study quantum fields with ellipsoid constant-energy surface dispersion law. > Rapidly convergent expansions of the omega-potential are derived. > Various resummations of the Chowla-Selberg expansion are obtained. > We establish a relation of the Casimir term with the vacuum energy. > Oscillations of the chemical potential of electrons in graphene are described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Physical and chemical properties of the regional mixed layer of Mexico's Megapolis – Part II: Evaluation of measured and modeled trace gases and particle size distributions

This study extends the work of Baumgardner et al. (2009) in which measurements of trace gases and particles at a remote, high-altitude mountain site 60 km from Mexico City were analyzed with respect to the origin of air masses. In the current evaluation, the temperature, water vapor, ozone (O3), carbon monoxide (CO), acyl peroxy nitrate (APN) and particle size distributions (PSDs) of the mass concentrations of sulfate, nitrate, ammonium and organic mass (OM) were simulated with the WRF-Chem chemical transport model and compared with the measurements at the mountain site. The model prediction of the diurnal trends of the gases were well correlated with the measurements before the regional boundary layer reached the measurement site but underestimated the concentrations after that time. The differences are caused by an overly rapid growth of the boundary layer by the model with too much dilution. There also appears to be more O3 produced by photochemical production, downwind of the emission sources, than predicted by the model. The measured and modeled PSDs compare very well with respect to their general shape and diameter of the peak concentrations. The spectra are log normally distributed with most of the mass in the accumulation mode and the geometric diameter centered at 200 ±20 nm, with little observed or predicted change with respect to the origin of the air mass or the time when the RBL is above the Altzomoni research. Only the total mass changed with time and air mass origin. The invariability of the average diameter of the accumulation mode suggests that there is very little growth of the particles by condensation or coagulation after six hours of aging downwind of the major sources of anthropogenic emissions in Mexico’s Megapolis.

Ochoa, Carlos↗