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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Phase transitions and dynamic entropy in small two-dimensional systems: Experiment and numerical simulation

The results of experimental and numerical analysis are presented for phase transitions in strongly nonequilibrium small systems of strongly interacting Brownian particles. The dynamic entropy method is applied to analysis of the state of these systems. Experiments are carried out with kinetic heating of the structures of micron-size particles in a laboratory rf discharge plasma. Three phase states of these small systems are observed: crystalline, liquid, and transient. The mechanism of phase transitions in cluster structures of strongly interacting particles is described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations, low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

LIGHT BRIDGE IN A DEVELOPING ACTIVE REGION. II. NUMERICAL SIMULATION OF FLUX EMERGENCE AND LIGHT BRIDGE FORMATION

Light bridges, the bright structure dividing umbrae in sunspot regions, show various activity events. In Paper I, we reported on an analysis of multi-wavelength observations of a light bridge in a developing active region (AR) and concluded that the activity events are caused by magnetic reconnection driven by magnetconvective evolution. The aim of this second paper is to investigate the detailed magnetic and velocity structures and the formation mechanism of light bridges. For this purpose, we analyze numerical simulation data from a radiative magnetohydrodynamics model of an emerging AR. We find that a weakly magnetized plasma upflow in the near-surface layers of the convection zone is entrained between the emerging magnetic bundles that appear as pores at the solar surface. This convective upflow continuously transports horizontal fields to the surface layer and creates a light bridge structure. Due to the magnetic shear between the horizontal fields of the bridge and the vertical fields of the ambient pores, an elongated cusp-shaped current layer is formed above the bridge, which may be favorable for magnetic reconnection. The striking correspondence between the observational results of Paper I and the numerical results of this paper provides a consistent physical picture of light bridges. The dynamic activity phenomena occur as a natural result of the bridge formation and its convective nature, which has much in common with those of umbral dots and penumbral filaments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Analysis of Plane-Parallel Electron Beam Propagation in Different Media by Numerical Simulation Methods

Simulation by the Monte Carlo method is widely used to calculate the character of ionizing radiation interaction with substance. A wide variety of programs based on the given method allows users to choose the most suitable package for solving computational problems. In turn, it is important to know exactly restrictions of numerical systems to avoid gross errors. Results of estimation of the feasibility of application of the program PCLab (Computer Laboratory, version 9.9) for numerical simulation of the electron energy distribution absorbed in beryllium, aluminum, gold, and water for industrial, research, and clinical beams are presented. The data obtained using programs ITS and Geant4 being the most popular software packages for solving the given problems and the program PCLab are presented in the graphic form. A comparison and an analysis of the results obtained demonstrate the feasibility of application of the program PCLab for simulation of the absorbed energy distribution and dose of electrons in various materials for energies in the range 1–20 MeV.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

Numerical Simulation of the Current Dependence of Emission Spectra of High-Power Pulsed Lasers Based on Separate-Confinement Double Heterostructures

A new physical model is proposed for describing the observed current dependence of the emission spectra of high-power pulse lasers based on double separate-confinement heterostructures. The model takes into account the presence of isotype n–n heterojunctions at the interface between the waveguide and the active region. A numerical simulation of the lasing processes was performed. The resulting analytical current dependence of the 2D concentration of holes in the quantum well made it possible to evaluate for the first time the current dependence of the short-wavelength limit of the lasing spectrum. A good agreement was reached between the calculated and experimental characteristics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Direct Numerical Simulation of Transitional and Turbulent Flows Over Multi-Scale Surface Roughness—Part II: The Effect of Roughness on the Performance of a High-Pressure Turbine Blade

Abstract Turbine blades generally present surface roughness introduced in the manufacturing process or caused by in-service degradation, which can have a significant impact on aero-thermal performance. A better understanding of the fundamental physical mechanisms arising from the interaction between the roughness and the turbine flow at engine-relevant conditions can provide insights for the design of blades with improved efficiency and longer operational life. To this end, a high-fidelity numerical framework combining a well-validated solver for direct numerical simulation and a second-order accurate immersed boundary method is employed to predict roughness-induced aero-thermal effects on an LS89 high-pressure turbine (HPT) blade at engine-relevant conditions. Different amplitudes and distributions of surface roughness are investigated and a reference smooth-blade simulation under the same flow conditions is conducted for comparison. Roughness of increasing amplitude progressively shifts the blade suction side boundary layer transition upstream, producing larger values of the turbulent kinetic energy and higher total wake losses. The on-surface data-capturing capabilities of the numerical framework provide direct measurements of the heat flux and the skin friction coefficient, hence offering quantitative information between the surface topology and engineering-relevant performance parameters. This work may provide a benchmark for future numerical studies of turbomachinery flows with roughness.

Engineering↗
DOE OSTI2023

Numerical simulations of the Los Alamos gapstick experiment

The gapstick is a high explosive (HE) sensitivity test recently developed at Los Alamos. The experiment design was motivated by the traditional gap test and consists of a series of HE and inert pellets in a rate stick configuration. The inert pellets are made increasingly longer so that eventually the attenuated shock is unable to initiate the next HE pellet. While the gapstick is a mechanically simple experiment it poses several challenges for numerical simulation. In particular, accurately modeling the HE initiation and detonation phenomena requires a reactive burn model with sufficient mesh resolution to capture the reaction scales. In this work, the Scaled Uniform Reactive Front (SURF) and Arrhenius Wescott-Stewart-Davis (AWSD) burn models are used for simulations of a PBX 9501 (95 wt% HMX, 5% binder) gapstick. Furthermore, the material model for the inert pellet material, Polyvinylidene Fluoride (PVDF), has a direct influence on the shock propagation and a new equation of state (EOS) calibration for PVDF is developed using available Hugoniot data. Despite some challenges, the simulations are able to reasonably predict shock transit velocities and detonation failure in the gapstick.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The thermal regime of the Campi Flegrei magmatic system reconstructed through 3D numerical simulations

In this paper, we illustrate a quantitative conductive/convective thermal model incorporating a wide range of geophysical, petrological, geological, geochemical and isotopical observations that constrain the thermal evolution and present state of the Campi Flegrei caldera (CFc) magmatic system. The proposed model has been computed on the basis of the current knowledge of: (1) the volcanic and magmatic history of the volcano over the last 44 ka, (2) its underlying crustal structure, and (3) the physical properties of the erupted magmas. 3D numerical simulations of heat conduction and convection within heterogeneous rock/magma materials with evolving heat sources and boundary conditions that simulate magma rise from a deep (≥ 8 km depth) to shallow (2–6 km) reservoirs, magma chamber formation, magma extrusion, caldera collapse, and intra-caldera hydrothermal convection, have been carried out. The evolution of the CFc magmatic system through time has been simulated through different steps related to its changes in terms of depth, location and size of magma reservoirs and their replenishment. The thermal modeling results show that both heat conduction and convection have played an important role in the CFc thermal evolution, although with different timing. Finally, the simulated present heat distribution is in agreement with the measured geothermal profiles (Agip, 1987), reproduces the thermal gradient peaks at the CFc margins in correspondence to the anomalies in surface gradients (Corrado et al., 1998), and suggests temperatures of 700 °C at depth of 4 km in the central portion of the caldera, in agreement with the estimated temperature for the brittle-ductile transition (Hill, 1992).

3D conductive/convective model↗
DOE OSTI2015

Study of coherent structures of turbulence with large wall-normal gradients in thermophysical properties using direct numerical simulation

Forced-convection heat transfer in a heated working fluid at a thermodynamic state near its pseudocritical point is poorly predicted by correlations calibrated with data at subcritical temperatures and pressures. This is suggested to be primarily due to the influence of large wall-normal thermophysical property gradients that develop in proximity of the pseudocritical point on the concentration of coherent turbulence structures near the wall. The physical mechanisms dominating this influence remain poorly understood. In the present study, direct numerical simulation is used to study the development of coherent vortical structures within a turbulent spot under the influence of large wall-normal property gradients. A turbulent spot rather than a fully turbulent boundary layer is used for the study, for the coherent structures of turbulence in a spot tend to be in a more organized state which may allow for more effective identification of cause-and-effect relationships. Large wall-normal gradients in thermophysical properties are created by heating the working fluid which is near the pseudocritical thermodynamic state. It is found that during improved heat transfer, wall-normal gradients in density accelerate the growth of the Kelvin-Helmholtz instability mechanism in the shear layer enveloping low-speed streaks, causing it to roll up into hairpin vortices at a faster rate. It is suggested that this occurs by the baroclinic vorticity generation mechanism which accelerates the streamwise grouping of vorticity during shear layer roll-up. The increased roll-up frequency leads to reduced streamwise spacing between hairpin vortices in wave packets. The density gradients also promote the sinuous instability mode in low-speed streaks. The resulting oscillations in the streaks in the streamwise-spanwise plane lead to locally reduced spanwise spacing between hairpin vortices forming over adjacent low-speed streaks. The reduction in streamwise and spanwise spacing between hairpin vortices causes them to interact more frequently by merging together and by breaking apart into smaller turbulence structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Numerical simulation of a full-loop circulating fluidized bed under different operating conditions

Both experimental and computational studies of the fluidization of high-density polyethylene (HDPE) particles in a small-scale full-loop circulating fluidized bed are conducted. Experimental measurements of pressure drop are taken at different locations along the bed. The solids circulation rate is measured with an advanced Particle Image Velocimetry (PIV) technique. The bed height of the quasi-static region in the standpipe is also measured. Comparative numerical simulations are performed with a Computational Fluid Dynamics solver utilizing a Discrete Element Method (CFD-DEM). This paper reports a detailed and direct comparison between CFD-DEM results and experimental data for realistic gas-solid fluidization in a full-loop circulating fluidized bed system. The comparison reveals good agreement with respect to system component pressure drop and inventory height in the standpipe. In addition, the effect of different drag laws applied within the CFD simulation is examined and compared with experimental results.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2015

Numerical simulations of turbulent molecular clouds regulated by reprocessed radiation feedback from nascent super star clusters

Radiation feedback from young star clusters embedded in giant molecular clouds (GMCs) is believed to be important to the control of star formation. For the most massive and dense clouds, including those in which super star clusters (SSCs) are born, pressure from reprocessed radiation exerted on dust grains may disperse a significant portion of the cloud mass back into the interstellar medium. Using our radiation hydrodynamics code, Hyperion, we conduct a series of numerical simulations to test this idea. Our models follow the evolution of self-gravitating, strongly turbulent clouds in which collapsing regions are replaced by radiating sink particles representing stellar clusters. We evaluate the dependence of the star formation efficiency (SFE) on the size and mass of the cloud and κ, the opacity of the gas to infrared (IR) radiation. We find that the single most important parameter determining the evolutionary outcome is κ, with κ≳15 cm{sup 2} g{sup −1} needed to disrupt clouds. For κ=20−40 cm{sup 2} g{sup −1}, the resulting SFE = 50%−70% is similar to empirical estimates for some SSC-forming clouds. The opacities required for GMC disruption likely apply only in dust-enriched environments. We find that the subgrid model approach of boosting the direct radiation force L/c by a “trapping factor” equal to a cloud’s mean IR optical depth can overestimate the true radiation force by factors of ∼4−5. We conclude that feedback from reprocessed IR radiation alone is unlikely to significantly reduce star formation within GMCs unless their dust abundances or cluster light-to-mass ratios are enhanced.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Influence of Blood Rheology and Turbulence Models in the Numerical Simulation of Aneurysms

An aneurysm is a vascular malformation that can be classified according to its location (cerebral, aortic) or shape (saccular, fusiform, and mycotic). Recently, the study of blood flow interaction with aneurysms has gained attention from physicians and engineers. Shear stresses, oscillatory shear index (OSI), gradient oscillatory number (GON), and residence time have been used as variables to describe the hemodynamics as well as the origin and evolution of aneurysms. However, the causes and hemodynamic conditions that promote their growth are still under debate. The present work presents numerical simulations of three types of aneurysms: two aortic and one cerebral. Simulation results showed that the blood rheology is not relevant for aortic aneurysms. However, for the cerebral aneurysm case, blood rheology could play a relevant role in the hemodynamics. The evaluated turbulence models showed equivalent results in both cases. Lastly, a simulation considering the fluid–structure interaction (FSI) showed that this phenomenon is the dominant factor for aneurysm simulation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

GPU accelerated flow solver for direct numerical simulation of turbulent flows

Graphical processing units (GPUs), characterized by significant computing performance, are nowadays very appealing for the solution of computationally demanding tasks in a wide variety of scientific applications. However, to run on GPUs, existing codes need to be ported and optimized, a procedure which is not yet standardized and may require non trivial efforts, even to high-performance computing specialists. In the present paper we accurately describe the porting to CUDA (Compute Unified Device Architecture) of a finite-difference compressible Navier–Stokes solver, suitable for direct numerical simulation (DNS) of turbulent flows. Porting and validation processes are illustrated in detail, with emphasis on computational strategies and techniques that can be applied to overcome typical bottlenecks arising from the porting of common computational fluid dynamics solvers. We demonstrate that a careful optimization work is crucial to get the highest performance from GPU accelerators. The results show that the overall speedup of one NVIDIA Tesla S2070 GPU is approximately 22 compared with one AMD Opteron 2352 Barcelona chip and 11 compared with one Intel Xeon X5650 Westmere core. The potential of GPU devices in the simulation of unsteady three-dimensional turbulent flows is proved by performing a DNS of a spatially evolving compressible mixing layer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Numerical Simulation and Experimental Study of the Gas–Solid Flow Behavior Inside a Full-Loop Circulating Fluidized Bed: Evaluation of Different Drag Models

Both experimental and computational studies of the fluidization of high-density polyethylene (HDPE) particles in a small-scale full-loop circulating fluidized bed (CFB) are conducted. Experimental measurements of pressure drop are taken at various locations along the bed. The solids circulation rate is measured with an advanced particle image velocimetry (PIV) technique. Bed height of the quasi-static region in the standpipe is also measured. Comparative numerical simulations are performed with a computational fluid dynamics solver utilizing a discrete element method (CFD-DEM). Here, this paper examines the effect of different drag laws used in the CFD simulations through a detailed and direct comparison with experimental data from a small-scale, full-loop circulating fluidized bed. The Hill–Koch–Ladd drag correlation was shown to have good agreement with respect to system component pressure drop and inventory height in the standpipe.

42 ENGINEERING↗
DOE OSTI2015

Numerical simulation of the environmental impact of hydraulic fracturing of tight/shale gas reservoirs on near‐surface groundwater: Background, base cases, shallow reservoirs, short‐term gas, and water transport

Abstract Hydrocarbon production from unconventional resources and the use of reservoir stimulation techniques, such as hydraulic fracturing, has grown explosively over the last decade. However, concerns have arisen that reservoir stimulation creates significant environmental threats through the creation of permeable pathways connecting the stimulated reservoir with shallower freshwater aquifers, thus resulting in the contamination of potable groundwater by escaping hydrocarbons or other reservoir fluids. This study investigates, by numerical simulation, gas and water transport between a shallow tight‐gas reservoir and a shallower overlying freshwater aquifer following hydraulic fracturing operations, if such a connecting pathway has been created. We focus on two general failure scenarios: (1) communication between the reservoir and aquifer via a connecting fracture or fault and (2) communication via a deteriorated, preexisting nearby well. We conclude that the key factors driving short‐term transport of gas include high permeability for the connecting pathway and the overall volume of the connecting feature. Production from the reservoir is likely to mitigate release through reduction of available free gas and lowering of reservoir pressure, and not producing may increase the potential for release. We also find that hydrostatic tight‐gas reservoirs are unlikely to act as a continuing source of migrating gas, as gas contained within the newly formed hydraulic fracture is the primary source for potential contamination. Such incidents of gas escape are likely to be limited in duration and scope for hydrostatic reservoirs. Reliable field and laboratory data must be acquired to constrain the factors and determine the likelihood of these outcomes.

03 NATURAL GAS↗
DOE OSTI2017

Mineralogical and transport controls on the evolution of porous media texture using direct numerical simulation

The evolution of porous media due to mineral dissolution and precipitation can change the bulk properties of subsurface materials. The pore-scale structure of the media, including its physical and mineralogical heterogeneity, exerts controls on porous media evolution via transport limitations to reactive surfaces and mineral accessibility. Here in this paper we explore how these controls affect the evolution of the texture in porous media at the pore scale. For this purpose, a pore-scale flow and reactive transport model is developed that explicitly tracks mineral surfaces as they evolve using a direct numerical simulation approach. Simulations of dissolution in single-mineral domains provide insights into the transport controls at the pore scale, while the simulation of a fracture surface composed of bands of faster-dissolving calcite and slower-dissolving dolomite provides insights into the mineralogical controls on evolution. Transport-limited conditions at the grain-pack scale may result in unstable evolution, a situation in which dissolution is focused in a fast-flowing, fast-dissolving path. Due to increasing velocities, the evolution in these regions is like that observed under conditions closer to strict surface control at the pore scale. That is, grains evolve to have oblong shapes with their long dimensions aligning with the local flow directions. Another example of an evolving reactive transport regime that affects local rates is seen in the evolution of the fracture surface. As calcite dissolves, the diffusive length between the fracture flow path and the receding calcite surfaces increases. Thus, the calcite dissolution reaction becomes increasingly limited by diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Numerical simulation of gas production from natural gas hydrate deposits with multi-branch wells: Influence of reservoir properties

Vast amounts of natural gas hydrate are buried in subseafloor sediments without impermeable boundaries, which is recognized as an essential energy source for the future. Previously, the multi-branch well was proposed to enhance the recovery efficiency of natural gas hydrate, and the gas production rate has been dramatically improved comparing with the vertical well. However, the multi-branch well shows a terrible performance in gas production duration. Here, as a continuation of the previous study, numerical simulations were conducted to investigate the influence of hydrate reservoir properties on the gas production potential. Results indicate that it is hard to extract hydrate commercially for hydrate accumulations without impermeable boundaries. A high initial hydrate saturation leads to a long gas production duration but a low gas production rate. An increase in the intrinsic permeability of isotropic reservoirs would shorten the gas production duration and result in a low gas recovery ratio. Permeability anisotropy shows a noticeable effect on enhancing the gas recovery ratio and the gas production duration due to the improved pressure propagation pattern. Therefore, in the upcoming field tests, reservoir reconstructions that enhance permeability anisotropy are strongly suggested to obtain better outcomes.

03 NATURAL GAS↗
DOE OSTI2015

Numerical simulations of Mach stem formation via intersecting bow shocks

Hubble Space Telescope observations show bright knots of Ha emission within outflowing young stellar jets. Velocity variations in the flow create secondary bow shocks that may intersect and lead to enhanced emission. When the bow shocks intersect at or above a certain critical angle, a planar shock called a Mach stem is formed. These shocks could produce brighter Ha emission since the incoming flow to the Mach stem is parallel to the shock normal. In this paper we report first results of a study using 2-D numerical simulations designed to explore Mach stem formation at the intersection of bow shocks formed by hypersonic “bullets” or “clumps”. Our 2-D simulations show how the bow shock shapes and intersection angles change as the adiabatic index g changes. We show that the formation or lack of a Mach stem in our simulations is consistent with the steady-state Mach stem formation theory. In conclusion, our ultimate goal, which is part of an ongoing research effort, is to characterize the physical and observational conse- quences of bow shock intersections including the formation of Mach stems.

79 ASTRONOMY AND ASTROPHYSICS↗