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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

The Enskog Equation for Confined Elastic Hard Spheres

A kinetic equation for a system of elastic hard spheres or disks confined by a hard wall of arbitrary shape is derived. It is a generalization of the modified Enskog equation in which the effects of the confinement are taken into account and it is supposed to be valid up to moderate densities. From the equation, balance equations for the hydrodynamic fields are derived, identifying the collisional transfer contributions to the pressure tensor and heat flux. A Lyapunov functional, H[f], is identified. For any solution of the kinetic equation, H decays monotonically in time until the system reaches the inhomogeneous equilibrium distribution, that is a Maxwellian distribution with a density field consistent with equilibrium statistical mechanics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Simulation of Osmotic Swelling by the Stochastic Immersed Boundary Method

We develop here computational methods for the simulation of osmotic swelling phenomena relevant to microscopic vesicles containing transformable solute molecules. We introduce stochastic immersed boundary methods (SIBMs) that can capture osmotically driven fluid transport through semipermeable elastic membranes subject to thermal fluctuations. We further develop numerical methods to handle within SIBMs an elastic shell model for a neo-Hookean material. Our extended SIBM allows for capturing osmotic swelling phenomena driven by concentration changes and interactions between a discrete collection of confined particles while accounting for the thermal fluctuations of the semipermeable membrane and the hydrodynamic transport of solvent. We use our computational methods to investigate osmotic phenomena in regimes that go beyond the classical Van't Hoff theory. We develop statistical mechanics theories for osmotic swelling of vesicles when there are significant interactions between particles that can transform over time. We validate our theoretical results against detailed computational simulations. Our methods are expected to be useful for a wide class of applications allowing for the simulation of osmotically driven flows, thermally fluctuating semipermeable elastic structures, and solute interactions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Fluctuating hydrodynamics of reactive liquid mixtures

Fluctuating hydrodynamics (FHD) provides a framework for modeling microscopic fluctuations in a manner consistent with statistical mechanics and nonequilibrium thermodynamics. This paper presents an FHD formulation for isothermal reactive incompressible liquid mixtures with stochastic chemistry. Fluctuating multispecies mass diffusion is formulated using a Maxwell-Stefan description without assuming a dilute solution, and momentum dynamics is described by a stochastic Navier-Stokes equation for the fluid velocity. We consider a thermodynamically consistent generalization for the law of mass action for non-dilute mixtures and use it in the chemical master equation (CME) to model reactions as a Poisson process. The FHD approach provides remarkable computational efficiency over traditional reaction-diffusion master equation methods when the number of reactive molecules is large, while also retaining accuracy even when there are as few as ten reactive molecules per hydrodynamic cell. We present a numerical algorithm to solve the coupled FHD and CME equations and validate it on both equilibrium and nonequilibrium problems. We simulate a diffusively driven gravitational instability in the presence of an acid-base neutralization reaction, starting from a perfectly flat interface. We demonstrate that the coupling between velocity and concentration fluctuations dominates the initial growth of the instability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Computational study of the bubbling-to-slugging transition in a laboratory-scale fluidized bed

Here, we report results from a computational study of the transition from bubbling to slugging in a laboratory-scale fluidized-bed reactor with Geldart Group B glass particles. For simulating the three-dimensional fluidized-bed hydrodynamics, we employ MFiX, a widely studied multi-phase flow simulation tool, that uses a two-fluid Eulerian-Eulerian approximation of the particle and gas dynamics over a range of gas flows. We also utilize a previously published algorithm to generate bubble statistics that can be correlated with pressure fluctuations to reveal previously unreported details about the stages through which the hydrodynamics progress during the bubbling-to-slugging transition. We expect this new information will lead to improved approaches for on-line reactor diagnostics, as well as new approaches for validating the results of computational fluidized-bed simulations with experimental measurements.

42 ENGINEERING↗
DOE OSTI2015

Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability

The Richtmyer-Meshkov instability (RMI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Due to the inherent statistical noise and the significant computational requirements, DSMC is hardly ever applied to hydrodynamic flows. Here, DSMC RMI simulations are performed to quantify the shock-driven growth of a single-mode perturbation on the interface between two atmospheric-pressure monatomic gases prior to re-shocking as a function of the Atwood and Mach numbers. The DSMC results qualitatively reproduce all features of the RMI and are in reasonable quantitative agreement with existing theoretical and empirical models. The DSMC simulations indicate that there is a universal behavior, consistent with previous work in this field that RMI growth follows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Ponderosa pine hydraulic stress predicts more extreme wildfire behavior under future conditions in Bandelier National Monument, New Mexico

Background Live fuel moisture contributes to wildfire spread and reflects plant stress and physiological traits. The anticipated change in live fuel moisture under future conditions is likely non-linear, owing to physiological plant thresholds in water hydraulics. We constructed a mechanistic model of live fuel moisture’s response to water stress to understand the impact of future climate on live fuel moisture. We first gathered data on plant physiology and live fuel moisture for Pinus ponderosa at Bandelier National Monument, NM, USA, and modeled their relationship. We then parameterized a mechanistic plant hydrodynamics model (FATES-HYDRO) to simulate changes in plant stress and a statistical model to simulate the resulting impact on live fuel moisture. We then simulated FATES-HYDRO under future climate anomalies (SSP2-4.5 and SSP5-8.5: 2080–2100) to understand the change in plant stress and estimate its impact on live fuel moisture. Results We found that the number of days below crucial thresholds of live fuel moisture (100% and 79%) increased from contemporary levels (< 100%: 72 days, < 79%: 1.4 days) under SSP2-4.5 (< 100%: 185 days, < 79%: 10.2 day) and increased exponentially under SSP5-8.5 (< 100%: 215 days, < 79%: 65 days). We found that gross primary productivity decreased under both future climate scenarios (contemporary: 336 g C m −2 , SSP2-4.5: 203 g C m −2 , SSP5-8.5: 243 g C m −2 ); however, spring productivity increased under SSP5-8.5, potentially altering fuel loading. We additionally see a potentially lethal loss of conductivity in hydraulic P. ponderosa under SSP5-8.5. Conclusions The overall increase in plant water stress (as represented by loss of hydraulic conductivity and leaf water potential) and lower live fuel moisture appear to be driven by reduced precipitation during late summer monsoons typical of the region, extending the fire season later in the year. We predict increasing variability in the P. ponderosa wildfire regime under both climate projections driven by changing productivity, rising mortality, and an overall decrease in live fuel moisture.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Parametric interactions in presence of different size colloids in semiconductor quantum plasmas

Present work is an attempt to investigate the effect of different size colloids on parametric interaction in semiconductor quantum plasma. Inclusion of quantum effect is being done in this analysis through quantum correction term in classical hydrodynamic model of homogeneous semiconductor plasma. The effect is associated with purely quantum origin using quantum Bohm potential and quantum statistics. Colloidal size and quantum correction term modify the parametric dispersion characteristics of ion implanted semiconductor plasma medium. It is found that quantum effect on colloids is inversely proportional to their size. Moreover critical size of implanted colloids for the effective quantum correction is determined which is found to be equal to the lattice spacing of the crystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Constraining the H i–Halo Mass Relation from Galaxy Clustering

We study the dependence of galaxy clustering on H i mass using ∼16,000 galaxies with redshift in the range of 0.0025 10{sup 8} M{sub ⊙}, drawn from the 70% complete sample of the Arecibo Legacy Fast ALFA survey. We construct subsamples of galaxies with M{sub HI} above different thresholds and make volume-limited clustering measurements in terms of three statistics: the projected two-point correlation function, the projected cross-correlation function with respect to a reference sample, and the redshift-space monopole moment. In contrast to previous studies, which found no/weak H i mass dependence, we find both the clustering amplitudes on scales above a few megaparsecs and the bias factors to increase significantly with increasing H i mass for M{sub HI}>10{sup 9} M{sub ⊙}. For H i mass thresholds below ∼10{sup 9} M{sub ⊙}, the inferred galaxy bias factors are systematically lower than the minimum halo bias from mass-selected halo samples. We extend the simple halo model, in which the galaxy content is only determined by halo mass, by including the halo formation time as an additional parameter. A model that puts H i-rich galaxies into halos that formed late can reproduce the clustering measurements reasonably well. We present the implications of our best-fitting model on the correlation of H i mass with halo mass and formation time, as well as the halo occupation distributions and H i mass functions for central and satellite galaxies. These results are compared with the predictions from semianalytic galaxy formation models and hydrodynamic galaxy formation simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

An analytic expression for the sheath criterion in magnetized plasmas with multi-charged ion species

The generalized Bohm criterion in magnetized multi-component plasmas consisting of multi-charged positive and negative ion species and electrons is analytically investigated by using the hydrodynamic model. It is assumed that the electrons and negative ion density distributions are the Boltzmann distribution with different temperatures and the positive ions enter into the sheath region obliquely. Our results show that the positive and negative ion temperatures, the orientation of the applied magnetic field and the charge number of positive and negative ions strongly affect the Bohm criterion in these multi-component plasmas. To determine the validity of our derived generalized Bohm criterion, it reduced to some familiar physical condition and it is shown that monotonically reduction of the positive ion density distribution leading to the sheath formation occurs only when entrance velocity of ion into the sheath satisfies the obtained Bohm criterion. Also, as a practical application of the obtained Bohm criterion, effects of the ionic temperature and concentration as well as magnetic field on the behavior of the charged particle density distributions and so the sheath thickness of a magnetized plasma consisting of electrons and singly charged positive and negative ion species are studied numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Rotationally induced fragmentation in the prestellar core L1544

Recent observations indicate that there is no correlation between the level of turbulence and fragmentation in detected protostellar cores, suggesting that turbulence works mainly before gravitationally bound prestellar cores form and that their inner parts are likely to be velocity coherent. Based on this evidence, we simulate the collapse and fragmentation of an isolated, initially centrally condensed, uniformly rotating core of total mass M = 5.4 M {sub ☉}, using the smoothed particle hydrodynamics code GADGET-2 modified with the inclusion of sink particles, in order to compare the statistical properties of the resulting stellar ensembles with previous gravoturbulent fragmentation models. The initial conditions are intended to fit the observed properties of the prestellar core L1544. We find that for ratios of the rotational to the gravitational energy β ≥ 0.05, a massive disk is formed at the core center from which a central primary condenses after ∼50 kyr. Soon thereafter the disk fragments into secondary protostars, consistent with an intermediate mode of star formation in which groups of 10-100 stars form from a single core. The models predict peak accretion rates between ∼10{sup –5} and 10{sup –4} M {sub ☉} yr{sup –1} for all stars and reproduce many of the statistical properties predicted from gravoturbulent fragmentation, suggesting that on the small scales of low-mass, dense cores these are independent of whether the contracting gas is turbulent or purely rotating.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Thermodynamically consistent incorporation of the Langmuir adsorption model into compressible fluctuating hydrodynamics

For a gas–solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir adsorption model with compressible fluctuating hydrodynamics. To this end, we derive a thermodynamically consistent mass–energy update scheme that accounts for how the mass and energy variables in the gas and surface subsystems should be updated according to the changes in the number of molecules of each species in each subsystem due to adsorption and desorption events. By performing a stochastic analysis for the ideal Langmuir model and the full hydrodynamic system, we analytically confirm that our mass–energy update scheme captures thermodynamic equilibrium predicted by equilibrium statistical mechanics. We find that an internal energy correction term is needed, which is attributed to the difference in the mean kinetic energy of gas molecules colliding with the surface from that computed from the Maxwell–Boltzmann distribution. By performing an equilibrium simulation study for an ideal gas mixture of CO and Ar, with CO undergoing reversible adsorption, we validate our overall simulation method and implementation.

Adsorption↗
DOE OSTI2025

Approaching hydro-equivalent ignition in laser direct-drive via target design optimization using novel statistical modeling

Laser direct-drive offers significant advantages in terms of target simplicity, improved energy coupling, and large fuel masses over indirect drive. However, performance degradations from hydrodynamic and laser-plasma instabilities seeded and driven by the direct illumination pose limitations on the parameter space available for achieving ignition. In this paper, new design improvements are identified to forge a path forward for a hydro-equivalent ignition demonstration. The first is related to a new formulation of the statistical model (SM) used to accurately predict target performance directly from input parameters such as laser pulse shape and target specifications. This new SM formulation provides direct guidance on target dimensions and laser beam-to-target radius to achieve the highest fusion yield on the OMEGA laser. The second improvement comes from cooling the deuterium–tritium (DT) ice layer below the triple point right before shot time leading to lower DT vapor densities and higher convergence. Guided by these design improvements, a Bayesian optimization algorithm was used to design an implosion that is predicted to closely approach a Lawson triple product that hydrodynamically scales to ignition if equivalent laser–target coupling is achieved at laser energies typical of the National Ignition Facility.

Deuterium↗
DOE OSTI2018

Fluctuating Hydrodynamic Methods for Fluid-Structure Interactions in Confined Channel Geometries

Computational methods are developed for the study of fluid-structure interactions subject to thermal fluctuations when conned within channels having slit-like geometry. The methods take into account the hydrodynamic coupling and diusivity of microstructures when influenced by their proximity to no-slip walls. We develop stochastic numerical methods subject to no-slip boundary conditions using a staggered nite volume discretization. We show that by imposing an exact fluctuation-dissipation condition to discretize the stochastic driving elds combined with using an exact projection method to enforce incompressibility is sucient to ensure results consistent with statistical mechanics. We demonstrate our methods by investigating how the proximity of ellipsoidal colloids to the channel wall eects their active hydrodynamic responses and passive diusivity. We also study the collective dynamics of a large number of particles by considering the intermediate scattering functions for the relaxation of density fluctuations. We expect our introduced stochastic computational methods to be applicable broadly to applications in which confinement effects play an important role in the dynamics of microstructures subject to hydrodynamic coupling and thermal fluctuations. uctuations.

Wang, Yaohong↗
DOE OSTI2015

Vertical equilibrium, energetics, and star formation rates in magnetized galactic disks regulated by momentum feedback from supernovae

Recent hydrodynamic (HD) simulations have shown that galactic disks evolve to reach well-defined statistical equilibrium states. The star formation rate (SFR) self-regulates until energy injection by star formation feedback balances dissipation and cooling in the interstellar medium (ISM), and provides vertical pressure support to balance gravity. In this paper, we extend our previous models to allow for a range of initial magnetic field strengths and configurations, utilizing three-dimensional, magnetohydrodynamic (MHD) simulations. We show that a quasi-steady equilibrium state is established as rapidly for MHD as for HD models unless the initial magnetic field is very strong or very weak, which requires more time to reach saturation. Remarkably, models with initial magnetic energy varying by two orders of magnitude approach the same asymptotic state. In the fully saturated state of the fiducial model, the integrated energy proportions E{sub turb}:E{sub th}:δE{sub mag}: E-bar {sub mag} are 0.35:0.39:0.15:0.11, while the proportions of midplane support P{sub turb}:P{sub th}:δΠ{sub mag}: Π-bar {sub mag} are 0.49:0.18:0.18:0.15. Vertical profiles of total effective pressure satisfy vertical dynamical equilibrium with the total gas weight at all heights. We measure the “feedback yields” η{sub c}≡P{sub c}/Σ{sub SFR} (in suitable units) for each pressure component, finding that η{sub turb}∼3.5−4 and η{sub th}∼1.1−1.4 are the same for MHD as in previous HD simulations, and δη{sub mag}∼1.3−1.5. These yields can be used to predict the equilibrium SFR for a local region in a galaxy based on its observed gas and stellar surface densities and velocity dispersions. As the ISM weight (or dynamical equilibrium pressure) is fixed, an increase in η from turbulent magnetic fields reduces the predicted Σ{sub SFR} by ∼20−30% relative to the HD case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Comparing galaxy formation in the L-GALAXIES semi-analytical model and the IllustrisTNG simulations

ABSTRACT We perform a comparison, object by object and statistically, between the Munich semi-analytical model, L-GALAXIES, and the IllustrisTNG hydrodynamical simulations. By running L-GALAXIES on the IllustrisTNG dark matter-only merger trees, we identify the same galaxies in the two models. This allows us to compare the stellar mass, star formation rate, and gas content of galaxies, as well as the baryonic content of subhaloes and haloes in the two models. We find that both the stellar mass functions and the stellar masses of individual galaxies agree to better than ${\sim} 0.2\,$dex. On the other hand, specific star formation rates and gas contents can differ more substantially. At z = 0, the transition between low-mass star-forming galaxies and high-mass quenched galaxies occurs at a stellar mass scale ${\sim} 0.5\,$dex lower in IllustrisTNG than that in L-GALAXIES. IllustrisTNG also produces substantially more quenched galaxies at higher redshifts. Both models predict a halo baryon fraction close to the cosmic value for clusters, but IllustrisTNG predicts lower baryon fractions in group environments. These differences are primarily due to differences in modelling feedback from stars and supermassive black holes. The gas content and star formation rates of galaxies in and around clusters and groups differ substantially, with IllustrisTNG satellites less star forming and less gas rich. We show that environmental processes such as ram-pressure stripping are stronger and operate to larger distances and for a broader host mass range in IllustrisTNG. We suggest that the treatment of galaxy evolution in the semi-analytic model needs to be improved by prescriptions that capture local environmental effects more accurately.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Modelling baryonic physics in future weak lensing surveys

Modifications of the matter power spectrum due to baryonic physics are one of the major theoretical uncertainties in cosmological weak lensing measurements. Developing robust mitigation schemes for this source of systematic uncertainty increases the robustness of cosmological constraints, and may increase their precision if they enable the use of information from smaller scales. Here we explore the performance of two mitigation schemes for baryonic effects in weak lensing cosmic shear: the principal component analysis (PCA) method and the halo-model approach in hmcode. We construct mock tomographic shear power spectra from four hydrodynamical simulations, and run simulated likelihood analyses with cosmolike assuming LSST-like survey statistics. With an angular scale cut of ℓmax < 2000, both methods successfully remove the biases in cosmological parameters due to the various baryonic physics scenarios, with the PCA method causing less degradation in the parameter constraints than hmcode. For a more aggressive ℓmax = 5000, the PCA method performs well for all but one baryonic physics scenario, requiring additional training simulations to account for the extreme baryonic physics scenario of Illustris; hmcode exhibits tensions in the 2D posterior distributions of cosmological parameters due to lack of freedom in describing the power spectrum for $k \gt 10\ h^{-1}\, \mathrm{Mpc}$. We investigate variants of the PCA method and improve the bias mitigation through PCA by accounting for the noise properties in the data via Cholesky decomposition of the covariance matrix. Our improved PCA method allows us to retain more statistical constraining power while effectively mitigating baryonic uncertainties even for a broad range of baryonic physics scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Centrality dependence of particle yields and their ratios at RHIC experiments

The collision centrality dependence of the yields per unit rapidity dN/dy along with their ratios for various hadrons produced in Au+Au collisions at different collision energies have been studied within the framework of unified statistical thermal freeze-out model (USTFM) taking into account both longitudinal and transverse hydrodynamic flows. Bulk freeze-out properties in terms of the thermal parameters, temperature and mid-rapidity baryon chemical potential at chemical freeze-out, obtained within the proposed model, which are in agreement with experimental data. The extracted chemical freeze-out temperature is found to depend weakly on the collision centrality. It is also found that this temperature is almost independent of the collision energies considered in this work. The closeness of the freeze-out temperature to the predicted phase-transition temperature suggests that the chemical freeze-out happens near hadronization. Furthermore, the dependence of the mid-rapidity chemical potential on the collision energy at different centralities, as well as the centrality dependence of the mid-rapidity size of the system in terms of the transverse size of the system, has been studied at the RHIC. The effect of resonance decay contributions has also been taken into account.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Low Mach number two-dimensional hydrodynamic turbulence - Energy budgets and density fluctuations in a polytropic fluid

Theory suggests that three distinct types of turbulence can occur in the low Mach number limit of polytropic flow: nearly incompressible flows dominated by vorticity, nearly pure acoustic turbulence dominated by compression, and flows characterized by near statistical equipartition of vorticity and compressions. Distinctions between these kinds of turbulence are investigated here by direct numerical simulation of two-dimensional compressible hydrodynamic turbulence. Dynamical scalings of density fluctuations, examination of the ratio of transverse to longitudinal velocity fluctuations, and spectral decomposition of the fluctuations are employed to distinguish the nature of these low Mach number solutions. A strong dependence on the initial data is observed, as well as a tendency for enhanced effects of compressibility at later times and at higher wave numbers, as suggested by theories of nearly incompressible flows.

Ghosh, S.↗