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At least 1,369 records · Page 76

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DOE OSTI2024

Steady-state properties of multi-orbital systems using quantum Monte Carlo

A precise dynamical characterization of quantum impurity models with multiple interacting orbitals is challenging. In quantum Monte Carlo methods, this is embodied by sign problems. A dynamical sign problem makes it exponentially difficult to simulate long times. A multi-orbital sign problem generally results in a prohibitive computational cost for systems with multiple impurity degrees of freedom even in static equilibrium calculations. Here, we present a numerically exact inchworm method that simultaneously alleviates both sign problems, enabling simulation of multi-orbital systems directly in the equilibrium or nonequilibrium steady-state. The method combines ideas from the recently developed steady-state inchworm Monte Carlo framework [Erpenbeck et al., Phys. Rev. Lett. 130, 186301 (2023)] with other ideas from the equilibrium multi-orbital inchworm algorithm [Eidelstein et al., Phys. Rev. Lett. 124, 206405 (2020)]. We verify our method by comparison with analytical limits and numerical results from previous methods.

Chemistry↗

DOE OSTI2020

Validation of neutron emission and neutron energy spectrum calculations on a Mega Ampere Spherical Tokamak with directional relativistic spectrum simulator

The recently developed directional relativistic spectrum simulator (DRESS) code has been validated for the first time against numerical calculations and experimental measurements performed on the Mega Ampere Spherical Tokamak . In this validation, the neutron emissivities and rates computed by DRESS are benchmarked against TRANSP/NUBEAM predictions while the neutron energy spectra provided by DRESS taking as input TRANSP/NUBEAM and ASCOT/BBNBI in Gyro-Orbit mode fast ion distributions are validated against proton pulse height spectra measured by the neutron flux monitor. Finally, excellent agreement was found between DRESS and TRANSP/NUBEAM predictions of local and total neutron emission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Bus Clustering for Distribution Grid Topology Identification

Recovering the distribution grid topology is essential to perform several distribution system operator functions. Many algorithms that address the topology recovery problem have already been proposed in the literature. Most are based on a priori information regarding which buses are fed by which substation; however, this information might not be available because frequent grid reconfigurations change the distribution grid portion connected to each substation. This paper addresses the problem of assigning every substation the set of buses that it is feeding, given field data. First, the aforementioned task is cast as a nonconvex optimization problem. Second, a relaxed version of the optimization problem is solved via the alternating direction method of multipliers. Finally, the performance of our approach is validated through numerical simulations of realistic scenarios using a standard IEEE benchmark feeder.

bus clustering↗

DOE OSTI2020

EQSIM—A multidisciplinary framework for fault-to-structure earthquake simulations on exascale computers part I: Computational models and workflow

Computational simulations have become central to the seismic analysis and design of major infrastructure over the past several decades. Most major structures are now “proof tested” virtually through representative simulations of earthquake-induced response. More recently, with the advancement of high-performance computing (HPC) platforms and the associated massively parallel computational ecosystems, simulation is beginning to play a role in increased understanding and prediction of ground motions for earthquake hazard assessments. However, the computational requirements for regional-scale geophysics-based ground motion simulations are extreme, which has restricted the frequency resolution of direct simulations and limited the ability to perform the large number of simulations required to numerically explore the problem parametric space. In this article, recent developments toward an integrated, multidisciplinary earth science-engineering computational framework for the regional-scale simulation of both ground motions and resulting structural response are described with a particular emphasis on advancing simulations to frequencies relevant to engineered systems. This multidisciplinary computational development is being carried out as part of the US Department of Energy (DOE) Exascale Computing Project with the goal of achieving a computational framework poised to exploit emerging DOE exaflop computer platforms scheduled for the 2022–2023 timeframe.

58 GEOSCIENCES↗

DOE OSTI2022

Numerical and Experimental Investigation of Nanostructure-Based Asymmetric Light Transmission Interfaces for Solar Concentrator Applications

Research in asymmetric light transmission interfaces has been recently gaining traction. While traditionally considered for optical circuitry applications, there is a new interest to use these interfaces in luminescent solar concentrators. Previous studies have shown that applying them to the top surface of a concentrator could mitigate surface losses. This paper presents experimental results for proof-of-concept asymmetric light transmission interfaces that may have potential applications in luminescent solar concentrators. The interfaces and the underneath substrate were created in a single step from polydimethylsiloxane using silicon molds fabricated on <100> wafers via anisotropic wet etching. The resulting structures were pyramidal in shape. Large surface areas of nanostructures repeating at 800 nm, 900 nm, and 1000 nm were tested for backward and forward transmission using a spectrometer. Results showed a 21%, 10%, and 0% average transmissivity difference between the forward and backward directions for each periodicity, respectively. The trends seen experimentally were confirmed numerically via COMSOL simulations.

Oliveto, Vincent↗

NASA NTRS1975

On the alleged collisional origin of the Kirkwood Gaps

This paper examines two proposed mechanisms whereby asteroidal collisions and close approaches may have given rise to the Kirkwood Gaps. The first hypothesis is that asteroids in near-resonant orbits have markedly increased collision probabilities and so are preferentially destroyed, or suffer decay in population density, within the resonance zones. A simple order-of-magnitude analysis shows that this hypothesis is untenable since it leads to conclusions which are either unrealistic or not in accord with present understanding of asteroidal physics. The second hypothesis is the Brouwer-Jefferys theory that collisions would smooth an asteroidal distribution function, as a function of Jacobi constant, thus forming resonance gaps. This hypothesis is examined by direct numerical integration of 50 asteroid orbits near the 2:1 resonance, with collisions simulated by random variables. No tendency to form a gap was observed.

Heppenheimer, T. A.↗

NASA NTRS1996

Aerothermodynamic Analysis of Commercial Experiment Transporter (COMET) Reentry Capsule

An aerothermodynamic analysis of the Commercial Experiment Transporter (COMET) reentry capsule has been performed using the laminar thin-layer Navier-Stokes solver Langley Aerothermodynamic Upwind Relaxation Algorithm. Flowfield solutions were obtained at Mach numbers 1.5, 2, 5, 10, 15, 20, 25, and 27.5. Axisymmetric and 5, 10, and 20 degree angles of attack were considered across the Mach-number range, with the Mach 25 conditions taken to 90 degrees angle of attack and the Mach 27.5 cases taken to 60 degrees angle of attack. Detailed surface heat-transfer rates were computed at Mach 20 and 25, revealing that heating rates on the heat-shield shoulder ,can exceed the stagnation-point heating by 230 percent. Finite-rate chemistry solutions were performed above Mach 10, otherwise perfect gas computations were made. Drag, lift, and pitching moment coefficients are computed and details of a wake flow are presented. The effect of including the wake in the solution domain was investigated and base pressure corrections to forebody drag coefficients were numerically determined for the lower Mach numbers. Pitching moment comparisons are made with direct simulation Monte Carlo results in the more rarefied flow at the highest Mach numbers, showing agreement within two-percent. Thin-layer Navier-Stokes computations of the axial force are found to be 15 percent higher across the speed range than the empirical/Newtonian based results used during the initial trajectory analyses.

Wood, William A.↗

NASA NTRS1997

A Study of Fundamental Shock Noise Mechanisms

This paper investigates two mechanisms fundamental to sound generation in shocked flows: shock motion and shock deformation. Shock motion is modeled numerically by examining the interaction of a sound wave with a shock. This numerical approach is validated by comparison with results obtained by linear theory for a small-disturbance case. Analysis of the perturbation energy with Myers' energy corollary demonstrates that acoustic energy is generated by the interaction of acoustic disturbances with shocks. This analysis suggests that shock motion generates acoustic and entropy disturbance energy. Shock deformation is modeled numerically by examining the interaction of a vortex ring with a shock. These numerical simulations demonstrate the generation of both an acoustic wave and contact surfaces. The acoustic wave spreads cylindrically. The sound intensity is highly directional and the sound pressure increases with increasing shock strength. The numerically determined relationship between the sound pressure and the Mach number is found to be consistent with experimental observations of shock noise. This consistency implies that a dominant physical process in the generation of shock noise is modeled in this study.

Meadows, Kristine R.↗

DOE OSTI2023

Mesoscale shock structure in particulate composites

Multiscale experiments in heterogeneous materials and the knowledge of their physics under shock compression are limited. Here, this study examines the multiscale shock response of particulate composites comprised of soda-lime glass particles in a PMMA matrix using full-field high speed digital image correlation (DIC) for the first time. Normal plate impact experiments, and complementary numerical simulations, are conducted at stresses ranging from 1.1 - 3.1 GPa to elucidate the mesoscale mechanisms responsible for the distinct shock structure observed in particulate composites. The particle velocity from the macroscopic measurement at continuum scale shows a relatively smooth velocity profile, with shock thickness decreasing with an increase in shock stress, and the composite exhibits strain rate scaling as the second power of the shock stress. In contrast, the mesoscopic response was highly heterogeneous, which led to a rough shock front and the formation of a train of weak shocks traveling at different velocities. Additionally, the normal shock was seen to diffuse the momentum in the transverse direction, affecting the shock rise and the rounding-off observed at the continuum scale measurements. The numerical simulations indicate that the reflections at the interfaces, wave scattering, and interference of these reflected waves are the primary mechanisms for the observed rough shock fronts.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Direct numerical study of leading-edge contamination

Instability, turbulence, and relaminarization in the attachment-line region of swept and unswept cylindrical bodies are studied by numerical solution of the full Navier-Stokes equations. The flow is simulated over a strip containing the attachment-line and treated as homogeneous in the spanwise direction; the disturbances decay exponentially upstream. Transpiration through the wall may be prescribed. The new method, which admits completely general disturbance, agrees with published linear-stability results, which were limited to an apparently restrictive form of disturbance. Fully developed turbulent solutions with sweep are generated and compare well with the experiment. The turbulence is subcritical (except for blowing), resulting in large hysteresis loops. By lowering the sweep Reynolds number, or increasing the suction, the turbulent flow is made to relaminarize. The relaminarization Reynolds number is much less sensitive to suction than the linear-stability Reynolds number. Extensive attempts to detect the postulated nonlinear instability of the unswept flow failed, suggesting that this flow is linearly and nonlinearly stable.

Spalart, P. R.↗

NASA NTRS1988

Mesoscale spiral vortex embedded within a Lake Michigan snow squall band - High resolution satellite observations and numerical model simulations

It is known that Great Lakes snow squall convection occurs in a variety of different modes depending on various factors such as air-water temperature contrast, boundary-layer wind shear, and geostrophic wind direction. An exceptional and often neglected source of data for mesoscale cloud studies is the ultrahigh resolution multispectral data produced by Landsat satellites. On October 19, 1972, a clearly defined spiral vortex was noted in a Landsat-1 image near the southern end of Lake Michigan during an exceptionally early cold air outbreak over a still very warm lake. In a numerical simulation using a three-dimensional Eulerian hydrostatic primitive equation mesoscale model with an initially uniform wind field, a definite analog to the observed vortex was generated. This suggests that intense surface heating can be a principal cause in the development of a low-level mesoscale vortex.

Lyons, Walter A.↗

NASA NTRS2006

Atmospheric Teleconnection over Eurasia Induced by Aerosol Radiative Forcing during Boreal Spring

The direct effects of aerosols on global and regional climate during boreal spring are investigated based on numerical simulations with the NASA Global Modeling and Assimilation Office finite-volume general circulation model (fvGCM) with Microphyics of Clouds with the Relaxed Arakawa Schubert Scheme (McRAS), using aerosol forcing functions derived from the Goddard Ozone Chemistry Aerosol Radiation and Transport model (GOCART). The authors find that anomalous atmospheric heat sources induced by absorbing aerosols (dust and black carbon) excite a planetary-scale teleconnection pattern in sea level pressure, temperature, and geopotential height spanning North Africa through Eurasia to the North Pacific. Surface cooling due to direct effects of aerosols is found in the vicinity and downstream of the aerosol source regions, that is, South Asia, East Asia, and northern and western Africa. Significant atmospheric heating is found in regions with large loading of dust (over northern Africa and the Middle East) and black carbon (over Southeast Asia). Paradoxically, the most pronounced feature in aerosol-induced surface temperature is an east west dipole anomaly with strong cooling over the Caspian Sea and warming over central and northeastern Asia, where aerosol concentrations are low. Analyses of circulation anomalies show that the dipole anomaly is a part of an atmospheric teleconnection pattern driven by atmospheric heating anomalies induced by absorbing aerosols in the source regions, but the influence was conveyed globally through barotropic energy dispersion and sustained by feedback processes associated with the regional circulations. The surface temperature signature associated with the aerosol-induced teleconnection bears striking resemblance to the spatial pattern of observed long-term trend in surface temperature over Eurasia. Additionally, the boreal spring wave train pattern is similar to that reported by Fukutomi et al. associated with the boreal summer precipitation seesaw between eastern and western Siberia. The results of this study raise the possibility that global aerosol forcing during boreal spring may play an important role in spawning atmospheric teleconnections that affect regional and global climates.

Kim, Maeng-Ki↗

NASA NTRS1986

Simulation of the turbulent Rayleigh-Benard problem using a spectral/finite difference technique

The three-dimensional, incompressible Navier-Stokes and energy equations with the Bousinesq assumption have been directly simulated at a Rayleigh number of 3.8 x 10 to the 5th power and a Prandtl number of 0.76. In the vertical direction, wall boundaries were used and in the horizontal, periodic boundary conditions were used. A spectral/finite difference numerical method was used to simulate the flow. The flow at these conditions is turbulent and a sufficiently fine mesh was used to capture all relevant flow scales. The results of the simulation are compared to experimental data to justify the conclusion that the small scale motion is adequately resolved.

Eidson, T. M.↗

NASA NTRS1979

Large eddy simulation of turbulent channel flow: ILLIAC 4 calculation

The three-dimensional time dependent equations of motion were numerically integrated for fully-developed turbulent channel flow. A large scale flow field was obtained directly from the solution of these equations, and small scale field motions were simulated through an eddy viscosity model. The calculations were carried out on the ILLIAC 4 computer. The computed flow patterns show that the wall layer consists of coherent structures of low speed and high speed streaks alternating in the spanwise direction. These structures were absent in the regions away from the wall. Hot spots, small localized regions of very large turbulent shear stress, were frequently observed. The profiles of the pressure velocity-gradient correlations show a significant transfer of energy from the normal to the spanwise component of turbulent kinetic energy in the immediate neighborhood of the wall ('the splatting effect').

Kim, J.↗

NASA NTRS1990

Staggered solution procedures for multibody dynamics simulation

A computational procedure is presented for the direct integration of the multibody dynamical (MBD) equations with constraints. Numerical experiments conducted with this MBD procedure indicate that it yields robust solutions in cases where the step size furnishes more than 20 samples for the period of highest apparent response frequency in a given multibody system. The MBD solution procedure is implemented in two separate modules: the generalized coordinated solver, 'CINT', and the constraint Lagrange multiplier solver, 'LINT'.

Park, K. C.↗

NASA NTRS2000

Numerical Study of Rarefied Hypersonic Flow Interacting with a Continuum Jet

An uncoupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC) technique is developed and applied to provide solutions for continuum jets interacting with rarefied external flows. The technique is based on a correlation of the appropriate Bird breakdown parameter for a transitional-rarefied condition that defines a surface within which the continuum solution is unaffected by the external flow-jet interaction. The method is applied to two problems to assess and demonstrate its validity; one of a jet interaction in the transitional-rarefied flow regime and the other in the moderately rarefied regime. Results show that the appropriate Bird breakdown surface for uncoupling the continuum and non-continuum solutions is a function of a non-dimensional parameter relating the momentum flux and collisionality between the two interacting flows. The correlation is exploited for the simulation of a jet interaction modeled for an experimental condition in the transitional-rarefied flow regime and the validity of the correlation is demonstrated. The uncoupled technique is also applied to an aerobraking flight condition for the Mars Global Surveyor spacecraft with attitude control system jet interaction. Aerodynamic yawing moment coefficients for cases without and with jet interaction at various angles-of-attack were predicted, and results from the present method compare well with values published previously. The flow field and surface properties are analyzed in some detail to describe the mechanism by which the jet interaction affects the aerodynamics.

Glass, Christopher E.↗

DOE OSTI2026

Prediction of dynamic behavior of a system undergoing an exchange of components using a transmission simulator method

In systems with modular design, it is of interest to perform component exchanges to upgrade components and explore new system configurations. If the dynamics of the components are known, then dynamic substructuring can be used to obtain a prediction of system performance for the new configuration. The transmission simulator method is a substructuring technique that utilizes an additional fixture to apply an elastic boundary condition to a test article such that an appropriate dynamic response can be obtained for a given substructuring application, and the technique has been used widely for performing coupling and decoupling operations. Here, in this work, a modified transmission simulator method is proposed that allows a direct exchange of components to be performed. In a numerical demonstration, the proposed method is shown to accurately predict the dynamics of an assembly that has undergone a component exchange in which the exchanged components have different material properties and different geometric properties. This approach can be applied to dynamic qualification frameworks in which structures undergo modifications or upgrades rather than complete redesigns.

Component exchange↗

NASA NTRS2000

DSMC Simulation of Separated Flows About Flared Bodies at Hypersonic Conditions

This paper describes the results of a numerical study of interacting hypersonic flows at conditions that can be produced in ground-based test facilities. The computations are made with the direct simulation Monte Carlo (DSMC) method of Bird. The focus is on Mach 10 flows about flared axisymmetric configurations, both hollow cylinder flares and double cones. The flow conditions are those for which experiments have been or will be performed in the ONERA R5Ch low-density wind tunnel and the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel. The range of flow conditions, model configurations, and model sizes provides a significant range of shock/shock and shock/boundary layer interactions at low Reynolds number conditions. Results presented will highlight the sensitivity of the calculations to grid resolution, contrast the differences in flow structure for hypersonic cold flows and those of more energetic but still low enthalpy flows, and compare the present results with experimental measurements for surface heating, pressure, and extent of separation.

Moss, James N.↗