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At least 325 records · Page 18

Reducing Memory Consumption in Calico with Shared Memory

This document details the work to reduce memory consumption in Calico. Calico is SimTools’ Constructive Solid Geometry (CSG) and geometry painting library. It is primarily used to paint material volume fractions in the Eulerian meshes of the physics codes. Calico provides point-in-body checks for the geometry supplied by an Oso model, which are then aggregated by the host codes. In addition, Calico can be used to build Oso models and is used by Ingen for that purpose. Oso models, and thus Calico, provide support for various CSG primitives such as spheres, cylinders, surfaces generated by rotating tabular curve data, and STL files as well as binary combinations of those primitives. Prior to refactoring Calico will run out of memory on CTS-1 machines when 36 MPI ranks are used per node when reading STL models on the order of 1.5 GB. This limitation is a bottleneck in designer workflow. This problem has been alleviated through the use of data structures to both reduce memory consumption and to leverage MPI-3 shared memory. This report details the data structures targeted for refactoring in Calico, the methods and implementation details for reducing memory consumption and leveraging shared memory, and results for one test problem. Results show a memory reduction when loading a 1 GB STL file by a factor of 27.5, from 93.4 to 3.4 GB.

97 MATHEMATICS AND COMPUTING↗

How Very Massive Metal-Free Stars Start Cosmological Reionization

The initial conditions and relevant physics for the formation of the earliest galaxies are well specified in the concordance cosmology. Using ab initio cosmological Eulerian adaptive mesh refinement radiation hydrodynamical calculations, we discuss how very massive stars start the process of cosmological reionization. The models include nonequilibrium primordial gas chemistry and cooling processes and accurate radiation transport in the case B approximation using adaptively ray-traced photon packages, retaining the time derivative in the transport equation. Supernova feedback is modeled by thermal explosions triggered at parsec scales. All calculations resolve the local Jeans length by at least 16 grid cells at all times and as such cover a spatial dynamic range of approx.10(exp 6). These first sources of reionization are highly intermittent and anisotropic and first photoionize the small-scale voids surrounding the halos they form in, rather than the dense filaments they are embedded in. As the merging objects form larger, dwarf-sized galaxies, the escape fraction of UV radiation decreases and the H II regions only break out on some sides of the galaxies, making them even more anisotropic. In three cases, SN blast waves induce star formation in overdense regions that were formed earlier from ionization front instabilities. These stars form tens of parsecs away from the center of their parent DM halo. Approximately five ionizing photons are needed per sustained ionization when star formation in 10(exp 6) stellar Mass halos is dominant in the calculation. As the halos become larger than approx.10(exp 7) Stellar Mass, the ionizing photon escape fraction decreases, which in turn increases the number of photons per ionization to 15-50, in calculations with stellar feedback only. Radiative feedback decreases clumping factors by 25% when compared to simulations without star formation and increases the average temperature of ionized gas to values between 3000 and 10,000 K.

Wise, John H.↗

Simulations of Turbulent Momentum and Scalar Transport in Confined Swirling Coaxial Jets

This paper presents the numerical simulations of confined three-dimensional coaxial water jets. The objectives are to validate the newly proposed nonlinear turbulence models of momentum and scalar transport, and to evaluate the newly introduced scalar APDF and DWFDF equation along with its Eulerian implementation in the National Combustion Code(NCC). Simulations conducted include the steady RANS, the unsteady RANS (URANS), and the time-filtered Navier-Stokes (TFNS); both without and with invoking the APDF or DWFDF equation.

combustors↗

A LaGrangian Perspective of the Surface Energy Budget Contributions to Sea Ice Evolution in the ‘New Arctic’

Recent Arctic warming outpaces global warming and is characterized by dramatic changes in sea ice (record sea ice loss, thinner and more seasonal ice cover), warming SSTs, and a lengthening melt season. These changes impact the surface energy budget and the sensitivity of sea ice to radiative forcing, namely an increased sensitivity of thinner ice to local radiative forcings and a weaker buffering of surface-atmosphere exchanges of heat and moisture. However, these processes are a large source of uncertainty in global climate models with prior studies finding that poor representations of downwelling longwave radiation and sea ice albedo lead to model spread in sea ice conditions. A limitation of prior work is examining sea ice-atmosphere interactions through an Eulerian framework. This study utilizes a sea ice parcel dataset in a LaGrangian framework, allowing for tracking of surface energy budget-sea ice interactions over the lifespan of individual sea ice parcels; this framework also allows for the quantification of the sea ice response to episodic weather events along with seasonal drivers, including the drivers of rapid growth and melt events. First, lag-lead relationships between relevant surface energy budget terms and sea ice thickness changes are explored to understand the atmospheric conditions preceding rapid growth and melt. The impact of episodic events- moisture intrusion, warm air outbreaks, cyclones- on sea ice growth are also investigated by stratifying first-year parcels by sea ice thickness at the end of the growth season and analyzing the effect of atmospheric variability (number and intensity of episodic events) on parcel thickness change. Lastly, parcel growth and melt and the associated radiative anomalies are compared to snowfall events/snow thickness to determine how snowfall modifies the interaction between the local surface energy budget and sea ice mass balance.

Patrick Taylor↗

A posterirori study of models for large eddy simulations of drop-laden flows

Large Eddy Simulation (LES) is conducted of a three-dimensional temporal mixing layer whose stream is initially laden with liquid drops which may evaporate during the simulation. The gas-phase equations are written in Eulerian frame for two perfect gas species (carrier gas and vapor emanating from the drops), while the liquid-phase equations are written in a Lagrangian frame.

spray modeling↗

A multiphase flow model of water droplets dielectrophoretic-induced air dehumidification phenomena

Air humidity in indoor spaces plays a critical role in human comfort and health. Dehumidification systems are used for building humidity controls, but they can take significant energy consumption, especially in geographic locations with high outdoor humidity and warm climates. Consequently, there is a growing demand for innovative dehumidification processes that consume minimal energy. Dielectrophoretic air dehumidification represents one such promising approach. However, it has not garnered significant attention due to the absence of engineering models and simulation tools capable of evaluating its performance and limitations at large-scale airflows. A new numerical multiphase CFD model, which is also experimentally validated, is developed in a customized Reacting Foam solver based on OpenFOAM® version 9. The newly developed model seeks to decrease substantial energy consumption and lower costs by leveraging the dielectrophoretic phenomenon to regulate moisture levels in the air. The solver integrates a hybrid Eulerian-Lagrangian framework to track the droplet's trajectory and growth rate while solving the continuum equations for the moist air. An electrospray produces electrically charged droplets, which grow during their in-flight trajectories as water vapor condenses onto their surfaces. The role of electrostatic forces in promoting vapor condensation within a high-gradient electrical field is investigated, and the dielectrophoretic vapor nucleation process on charged water droplets is discussed. The CFD model was validated against results from the literature and from proof-of-concept experiments conducted by the authors, which showed a 2 % air dehumidification with a single electrospray and airflow rate of 5 cubic feet per minute. The simulation results indicated that augmenting the number of electrically charged spray droplets increased the dehumidification of the air to 25 %. The initial mean droplet diameter, the orientation of the injector and relative humidity significantly influence the assessment of dehumidification. As a result, scaling up this approach to larger airflow volumes is identified as a potential future research direction.

42 ENGINEERING↗

Direct numerical simulation of a combusting droplet with convection

The evaporation and combustion of a single droplet under forced and natural convection was studied numerically from first principles using a numerical scheme that solves the time-dependent multiphase and multispecies Navier-Stokes equations and tracks the sharp gas-liquid interface cutting across an arbitrary Eulerian grid. The flow fields both inside and outside of the droplet are resolved in a unified fashion. Additional governing equations model the interphase mass, energy, and momentum exchange. Test cases involving iso-octane, n-hexane, and n-propanol droplets show reasonable comparison rate, and flame stand-off distance. The partially validated code is, thus, readied to be applied to more demanding droplet combustion situations where substantial drop deformation render classical models inadequate.

Liang, Pak-Yan↗

Using XR for Improving Scientific Discovery With Numerical Weather Models

Our work explores the use of extended reality (XR) to im- prove scientific discovery with numerical weather/climate models that inform Earth science digital twins, specifically the NASA Goddard Earth Observing System (GEOS) global atmospheric model. The overall project is named the Vi- sualization And Lagrangian dynamics Immersive eXtended Reality Toolkit (VALIXR), which has two main areas of focus: (1) enhancing the understanding of and interaction with model output data through advanced visualizations in the XR environment, and (2) the integration of Lagrangian dynamics into the GEOS model, which allows a natural, feature-specific analysis of Earth science phenomena as op- posed to traditional, fixed-point Eulerian dynamics. Here, we report initial work on these focus areas.

Thomas Grubb↗

Anomalous Transport in Three-Dimensional Discrete Fracture Networks: Interplay Between Aperture Heterogeneity and Injection Modes

In this work, we study how the interplay between fracture aperture heterogeneity and tracer injection mode controls fluid flow and tracer transport in three-dimensional (3D) discrete fracture networks (DFNs). The direct 3-D DFN simulations show that tracer injection mode has substantial effects on tracer spreading across all levels of aperture heterogeneity. The key controlling factor for effective transport is the initial Lagrangian velocity distribution, which is determined by the interplay between injection mode and aperture heterogeneity. The fundamental difference between initial Lagrangian velocity distribution and domain-scale Eulerian velocity distribution plays a vital role in determining anomalous transport. We effectively capture the observed anomalous transport using an upscaled transport model that incorporates initial velocity distribution, stationary velocity distribution, velocity correlation length, and average advective tortuosity. With the upscaled transport model, we accurately capture the evolution of Lagrangian velocity distribution and predict longitudinal spreading in 3-D DFN.

58 GEOSCIENCES↗

Orientation of the earth by numerical integration

A fundamental problem is the determination of the orientation of the earth in the celestial coordinate system. Classical reductions for precession and nutation can be expected to be consistent with the present-day observations, however, corrections to the classical theory are difficult to model because of the large number of coefficients involved. Consequently, a portion of the research has been devoted to numerically integrating the Eulerian equations of motion for a rigid earth and considering the six initial conditions of the integration as unknowns. Comparison of the three adjusted Eulerian angles from the numerical integration over 1000 days indicates agreement with classical theory to within 0.003 seconds of arc.

Fajemirokun, F. A.↗

Gas dynamics for accretion disk simulations

The behavior of accretion disks can largely be understood in terms of the basic physical processes of mass, energy, and momentum conservation. Despite this, detailed modeling of these systems using modern computational techniques is challenging and controversial. Disturbing differences exist between methods used widely in astrophysics, namely Eulerian finite-difference techniques and particle codes such as SPH. Therefore neither technique is fully satisfactory for accretion disk simulations. This paper describes a new fully Lagrangian method designed to resolve these difficulties.

Whitehurst, R.↗

Relativistic tidal interaction of a white dwarf with a massive black hole

We compute encounters of a realistic white dwarf model with a massive black hole in the regime where relativistic effects are important, using a three-dimensional, finite-difference, Eulerian, piecewise parabolic method (PPM) hydrodynamical code. Both disruptive and nondisruptive encounters are considered. We identify and discuss relativistic effects important for the problem: relativistic shift of the pericenter distance, time delay, relativistic precession, and the tensorial structure of the tidal forces. In the nondisruptive case, stripping of matter takes place. In the surface layers of the surviving core, complicated hydrodynamical phenomena are revealed. In both disruptive and nondispruptive encounters, material flows out in the form of two thin, S-shaped, supersonic jets. Our results provide realistic initial conditions for the subsequent investigation of the dynamics of the debris in the field of the black hole. We evaluate the critical conditions for complete disruption of the white dwarf, and compare our results with the corresponding results for nonrelativistic encounters.

Frolov, V. P.↗

Comprehensive modeling of a liquid rocket combustion chamber

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Liang, P.-Y.↗

Eddy mixing coefficient values derived from simulations with the NASA Ames Mars GCM

Values of eddy mixing coefficients, especially that for vertical mixing, are of particular importance for various photochemical models of the Mars atmosphere, which are either globally or zonally averaged. These models represent atmospheric transport processes in terms of eddy diffusion. While this is not appropriate for the advective transport by the mean meridional circulation (in general, a part of the eddy diffusion tensor actually does represent advection--a 'correction' to the Eulerian-mean circulation), it can be applied to simulate both the small- and larger-scale eddy transports of an atmospheric constituent. An effort is underway to estimate values of the eddy mixing coefficients for the Mars atmosphere using circulation data generated with the NASA Ames Mars GCM. This model simulates the three-dimensional winds in the atmosphere, and these are then used as inputs for a tracer transport model. The latter model has previously been used in interactive dust transport experiments with the Ames GCM. Idealized tracer transport experiments, with a conservative or nearly conservative hypothetical tracer, are performed to generate data from which the eddy diffusion coefficients can be estimated. Carrying out matched pairs of tracer experiments, using two very different initial states, permits all four components of the diffusion tensor to be determined. A large number of GCM experiments have been conducted, spanning a range of seasons and atmospheric dust loading, allowing the eddy mixing coefficients to be estimated for a variety of atmospheric conditions.

Barnes, J. R.↗

The chemical composition of the dust-free Martian atmosphere - Preliminary results of a two-dimensional model

This paper describes a two-dimensional model of the Martian atmosphere, in which chemical, radiative and dynamical processes are treated interactively. The model is developed for a carbon dioxide-hydrogen-oxygen-nitrogen atmosphere and provides estimates of concentrations for 19 chemical species. The dynamical equations are expressed in the transformed Eulerian coordinates. The wave driving and eddy mixing coefficients resulting from gravity and Rossby wave absorption are computed consistently with the evolving distribution of the mean zonal wind. The net diabatic heating/cooling rate is derived from a detailed radiative scheme including the contributions of CO2, O3, H2O and O2, and is computed consistently with the calculated distribution of temperature and trace species quantities. The computed temperature field as well as the meridional and seasonal variations of ozone column abundance are in good agreement with the distributions observed by Mariner 9 and Viking spacecrafts and the results obtained by previous studies. The present version of the model does not include the effects of dust, clouds and polar hood and only the chemistry in a dust-free atmosphere is considered.

Moreau, D.↗

Influences of shock imprinting on mix in a 3D-printed porous media

Mixing of materials in porous media can cause a significant impact on fusion yield as previously demonstrated by the National Ignition Facility (NIF) MARBLE Campaign. Initially, the reactants are separated, with deuterium in the lattice struts and a tritium gas fill in the voids. Lattice parameters such as the strut thickness and relative pitch, provide a control for the mix parameters in the experiment. Los Alamos National Laboratory’s (LANL) BOSQUE project looks to better understand how the mix of the reactants and shell materials impact the fusion burn and resultant yield on various laser platforms. xRAGE’s Eulerian hydrodynamics and adaptive mesh refinement (AMR) provide the unique ability to study the impacts of multiscale features of complex lattice structures. This modeling provides the ability to measure shock front variations as the wave progress’ through a given media. Initial conditions of the lattice are essential to accurately model mix and burn measured by experiment. By varying the initial orientation and densities of these lattice regions the early time dynamics of how the shock is launched into the system is changed and advocates for the study of resulting effects. In this work, we will study the sensitivities of shock effects in varying 3D printed geometric systems and how these shocks alter the structure and mix in the lattice. We will discuss both preliminary experimental results and simulations to help plan and constrain future experiments where we will study the impact of different lattice geometries and lattice bulk densities. This work concludes with the relative impacts of lattice geometries on shock speeds at different bulk densities and the resultant mix widths due to those shock interactions. We see agreement with theory at the higher end of our bulk density study, however, as we approach lower bulk density systems the dynamics of these interactions begin to change.

2 Photon Polymerization↗

Session on coupled atmospheric/chemistry coupled models

The session on coupled atmospheric/chemistry coupled models is reviewed. Current model limitations, current issues and critical unknowns, and modeling activity are addressed. Specific recommendations and experimental strategies on the following are given: multiscale surface layer - planetary boundary layer - chemical flux measurements; Eulerian budget study; and Langrangian experiment. Nonprecipitating cloud studies, organized convective systems, and aerosols - heterogenous chemistry are also discussed.

Thompson, Anne↗

Validation of numerical models for seismic fluid-structure-interaction analysis of nuclear, safety-related equipment

Seismic design, qualification, and risk assessment of nuclear safety-related vessels filled with liquid will have to consider the interaction between the vessel (tank), the contained liquid, and submerged components, if any. Seismic fluid-structure-interaction (FSI) analysis of nuclear vessels will rely on numerical models, which are required to be verified and validated. This study validates previously-verified numerical models using test data generated from earthquake-simulator experiments involving a cylindrical tank. Two solvers in LS-DYNA for FSI simulations are used for the numerical analysis: Arbitrary-Lagrangian-Eulerian (ALE) and Incompressible Computational Fluid Dynamics (ICFD). Numerical and test results are compared for responses critical to seismic design of advanced reactor vessels: hydrodynamic pressures on the tank wall, reactions at the support, and wave heights of the contained liquid. Analysis is performed for one-, two-, and three-directional seismic inputs with a range of intensity, and rocking motions. The accuracy of the numerical results and different methods for outputting wave heights are discussed. Recommendations for validation of seismic FSI numerical models of advanced reactors are provided. As a result, the validation exercise presented in this study is broadly applicable to cylindrical tanks, regardless of industry sector.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗