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At least 253 records · Page 14

Shape reanalysis and sensitivities utilizing preconditioned iterative boundary solvers

The computational advantages associated with the utilization of preconditined iterative equation solvers are quantified for the reanalysis of perturbed shapes using continuum structural boundary element analysis (BEA). Both single- and multi-zone three-dimensional problems are examined. Significant reductions in computer time are obtained by making use of previously computed solution vectors and preconditioners in subsequent analyses. The effectiveness of this technique is demonstrated for the computation of shape response sensitivities required in shape optimization. Computer times and accuracies achieved using the preconditioned iterative solvers are compared with those obtained via direct solvers and implicit differentiation of the boundary integral equations. It is concluded that this approach employing preconditioned iterative equation solvers in reanalysis and sensitivity analysis can be competitive with if not superior to those involving direct solvers.

Guru Prasad, K.↗

Computational Model for Microballistic Perforation of Multilayer Graphene

The peridynamic theory of solid mechanics is applied to the continuum modeling of the impact of small, high-velocity silica spheres on multilayer graphene targets. The model treats the laminate as a brittle elastic membrane. The material model includes separate failure criteria for the initial rupture of the membrane and for propagating cracks. Material variability is incorporated by assigning random variations in elastic properties within Voronoi cells. The computational model is shown to reproduce the primary aspects of the response observed in experiments, including the growth of a family of radial cracks from the point of impact.

36 MATERIALS SCIENCE↗

Mars Pathfider Rarefied Aerodynamics: Computations and Measurements

On July 4, 1997, after traveling close to 500 million km, the Pathfinder spacecraft successfully completed entry, descent, and landing at Mars. In the present paper, the focus is on the hypersonic rarefied portion of Pathfinder's atmospheric entry where the synergy of flight measurements, aerodynamic calculations, and atmospheric modeling tools are used to extract Pathfinder's attitude and the freestream density. Accuracy of the capsule aerodynamics directly impacts the inferred atmospheric properties extracted from deceleration measurements made by on-board accelerometers. The range of rarefaction considered in this study extends from the free molecular to continuum conditions and angles of attack from O to 30 deg. The aerodynamic computations are made with free-molecular and direct simulation Monte Carlo codes. The calculations show that Pathfinder is statically unstable for much of the transitional rarefied regime. Due to the relatively modest forces and the gyroscopic motion of the spacecraft, the angle of attack excursions were less than 5 deg as inferred from force measurements for the rarefied portion of entry and approached a nominal zero degree trim angle near hypersonic continuum conditions.

Moss, James N.↗

Interactions with Virtual People: Do Avatars Dream of Digital Sheep?

This paper explores another form of artificial entity, ones without physical embodiment. We refer to virtual characters as the name for a type of interactive object that have become familiar in computer games and within virtual reality applications. We refer to these as avatars: three-dimensional graphical objects that are in more-or-less human form which can interact with humans. Sometimes such avatars will be representations of real-humans who are interacting together within a shared networked virtual environment, other times the representations will be of entirely computer generated characters. Unlike other authors, who reserve the term agent for entirely computer generated characters and avatars for virtual embodiments of real people; the same term here is used for both. This is because avatars and agents are on a continuum. The question is where does their behaviour originate? At the extremes the behaviour is either completely computer generated or comes only from tracking of a real person. However, not every aspect of a real person can be tracked every eyebrow move, every blink, every breath rather real tracking data would be supplemented by inferred behaviours which are programmed based on the available information as to what the real human is doing and her/his underlying emotional and psychological state. Hence there is always some programmed behaviour it is only a matter of how much. In any case the same underlying problem remains how can the human character be portrayed in such a manner that its actions are believable and have an impact on the real people with whom it interacts? This paper has three main parts. In the first part we will review some evidence that suggests that humans react with appropriate affect in their interactions with virtual human characters, or with other humans who are represented as avatars. This is so in spite of the fact that the representational fidelity is relatively low. Our evidence will be from the realm of psychotherapy, where virtual social situations are created that do test whether people react appropriately within these situations. We will also consider some experiments on face-to-face virtual communications between people in the same shared virtual environments. The second part will try to give some clues about why this might happen, taking into account modern theories of perception from neuroscience. The third part will include some speculations about the future developments of the relationship between people and virtual people. We will suggest that a more likely scenario than the world becoming populated by physically embodied virtual people (robots, androids) is that in the relatively near future we will interact more and more in our everyday lives with virtual people- bank managers, shop assistants, instructors, and so on. What is happening in the movies with computer graphic generated individuals and entire crowds may move into the space of everyday life.

Slater, Mel↗

Finite Element Aircraft Simulation of Turbulence

A turbulence model has been developed for realtime aircraft simulation that accommodates stochastic turbulence and distributed discrete gusts as a function of the terrain. This model is applicable to conventional aircraft, V/STOL aircraft, and disc rotor model helicopter simulations. Vehicle angular activity in response to turbulence is computed from geometrical and temporal relationships rather than by using the conventional continuum approximations that assume uniform gust immersion and low frequency responses. By using techniques similar to those recently developed for blade-element rotor models, the angular-rate filters of conventional turbulence models are not required. The model produces rotational rates as well as air mass translational velocities in response to both stochastic and deterministic disturbances, where the discrete gusts and turbulence magnitudes may be correlated with significant terrain features or ship models. Assuming isotropy, a two-dimensional vertical turbulence field is created. A novel Gaussian interpolation technique is used to distribute vertical turbulence on the wing span or lateral rotor disc, and this distribution is used to compute roll responses. Air mass velocities are applied at significant centers of pressure in the computation of the aircraft's pitch and roll responses.

McFarland, R. E.↗

Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear–Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics

Accurate simulations of many chemical processes require the inclusion of both nuclear quantum effects and a solvent environment. The nuclear–electronic orbital (NEO) approach, which treats electrons and select nuclei quantum mechanically on the same level, combined with a polarizable continuum model (PCM) for the solvent environment, addresses this challenge in a computationally practical manner. In this work, the NEO-PCM approach is extended beyond the IEF-PCM (integral equation formalism PCM) and C-PCM (conductor PCM) approaches to the SS(V)PE (surface and simulation of volume polarization for electrostatics) and ddCOSMO (domain decomposed conductor-like screening model) approaches. IEF-PCM, SS(V)PE, C-PCM, and ddCOSMO all exhibit similar solvation energies as well as comparable nuclear polarization within the NEO framework. The calculations show that the nuclear density does not leak out of the molecular cavity because it is much more localized than the electronic density. Finally, the polarization of quantized protons is analyzed in both continuum solvent and explicit solvent environments described by the polarizable MB-pol model, illustrating the impact of specific hydrogen-bonding interactions captured only by explicit solvation. Furthermore, these calculations highlight the relationship among solvation formalism, nuclear polarization, and energetics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accelerating high-order continuum kinetic plasma simulations using multiple GPUs

Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in configuration space. The immense computational cost of evolving high-dimensional variables, and their large number of degrees of freedom, often limits the utility of continuum kinetic simulations and presents a challenge when it comes to accurately simulating real-world physical phenomena. To address this challenge, we present techniques that accelerate and minimize the computational work required for a scalable Vlasov-Poisson solver. We show theoretical hardware compute and communication bounds for solving a fourth-order finite-volume Vlasov-Poisson system. These bounds are then used to inform and evaluate the design of performance portable algorithms for a multiple graphics processing unit (GPU) accelerated version of the Vlasov-Poisson solver VCK-CPU [1]. We demonstrate that the multi-GPU Vlasov solver implementation, VCK-GPU, simultaneously minimizes required inter-process data transfer while also being bounded by the machine network performance limits. This results in an overall strong scaling speedup per timestep of up to 40x in three-dimensional phase space (one position, two velocity coordinates) and 54x in four dimensional phase space (two position, two velocity coordinates) and a 341x increase in simulation throughput of the GPU accelerated code over the existing CPU code. The GPU code is also able to weak scale up to 256 compute nodes and 1024 GPUs. In conclusion, we demonstrate that the improved compute performance enables exploring configurations which were previously computationally infeasible, including resolving fine-scale distribution function filamentation and multi-species dynamics with realistic electron-proton mass ratios.

Continuum kinetics↗

Comparison of Surface Tension Generation Methods in Smoothed Particle Hydrodynamics for Dynamic Systems

Developing robust numerical models of dynamic surface tension dominated multiphase systems is an ongoing challenge, especially in scenarios with large density and viscosity ratios. This is critical to the design and understanding of various physical and engineering systems, such as fluidized beds, fuel injectors, and drug delivery schemes. Much of the computational work in surface tension dominated multiphase flows has employed the continuum surface force method (CSF) of Brackbill et al. [1], which recasts surface tension from a surface force to a volumetric force that can be imposed in the vicinity of an interface. The CSF method produces accurate results across a variety of systems, however it relies on the identication of surface normals, which can be unreliable under certain conditions. Alternative methods of simulating surface tension have been proposed. Here the advantages and disadvantages of the CSF method in comparison to a pairwise forces (PF) method proposed by Tartakovsky and Panchenko [2] are explored. The CSF and PF methods are used in a smoothed particle hydrodynamics (SPH) framework to model dynamic systems. Results are compared to existing test cases from the literature and to analytic solutions derived from fundamental normal mode behavior of bubbles and droplets. A physical system for which the PF method is more stable and physically appropriate than the CSF method is identied.

smoothed particle hydrodynamics, multiphase flow↗

Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets—Part I: Mesoscale simulations

Recently a mesoscale model was developed that includes thermomechanically consistent constitutive equations with dissipation due to porous compaction, inelastic distortional deformation rate, and slipping on persistent dry joint surfaces. In this Part I of a two-part paper, we describe enhancements of the mesoscale model which include: normal compliance with hysteresis, non-persistent joints with finite area, joint sets with angular deviation, and the weakening effect of fluid pressure in the joints. Examples study the influences of these effects on average strength. These computationally expensive simulations are used to inspire functional forms in a continuum model, described in Part II, which is needed for large scale simulations of real applications.

42 ENGINEERING↗

A novel measurement of marginal Alfvén eigenmode stability during high power auxiliary heating in JET

The interaction of Alfvén eigenmodes (AEs) and energetic particles is one of many important factors determining the success of future tokamaks. In JET, eight in-vessel antennas were installed to actively probe stable AEs with frequencies ranging 25–250 kHz and toroidal mode numbers |n| < 20. During the 2019–2020 deuterium campaign, almost 7500 resonances and their frequencies f 0 , net damping rates γ < 0, and toroidal mode numbers were measured in almost 800 plasma discharges. From a statistical analysis of this database, continuum and radiative damping are inferred to increase with edge safety factor, edge magnetic shear, and when including non-ideal effects. Both stable AE observations and their associated damping rates are found to decrease with |n|. Active antenna excitation is also found to be ineffective in H-mode as opposed to L-mode; this is likely due to the increased edge density gradient’s effect on accessibility and ELM-related noise’s impact on mode identification. A novel measurement is reported of a marginally stable, edge-localized ellipticity-induced AE probed by the antennas during high-power auxiliary heating (ion cyclotron resonance heating and neutral beam injection) up to 25 MW. NOVA-K kinetic-MHD simulations show good agreement with experimental measurements of f 0 , γ, and n, indicating the dominance of continuum and electron Landau damping in this case. Similar experimental and computational studies are planned for the recent hydrogen and ongoing tritium campaigns, in preparation for the upcoming DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

5G Enabled Energy Innovation: Advanced Wireless Networks for Science (Workshop Report)

Rapidly expanding, new telecommunications infrastructure based on 5G technologies will disrupt and transform how we design, build, operate, and optimize scientific infrastructure and the experiments and services enabled by that infrastructure, from continental-scale sensor networks to centralized scientific user facilities, from intelligent Internet of Things devices to supercomputers. Concurrently, 5G will introduce, or exacerbate, challenges related to protecting infrastructure and associated scientific data as well as to fully leveraging opportunities related to expanded infrastructure scale and complexity. The U.S. Department of Energy (DOE) Office of Science operates scientific infrastructure, supporting some of the nation’s most advanced intellectual discoveries, spanning the country and including 30 world-class user facilities from supercomputers to accelerators. Along with field experiments and remote observatories, every aspect of DOE’s scientific enterprise will be affected by 5G, which amounts to a complete renovation of the underpinnings of the nation’s information infrastructure. In this report we explore the scientific opportunities and new research challenges associated with 5G, ranging from scalability to heterogeneity to cybersecurity. The rapid commercial deployment of 5G opens the opportunity to rethink and reinvent DOE’s scientific infrastructure and experimentation, from intelligent sensor networks at unprecedented scales to a digital continuum of cyberinfrastructure spanning low-power sensors, high-performance computing embedded within and at the edge of the network, and DOE’s large-scale user instrument and computing facilities. New programming paradigms, workflow and data frameworks, and AI-based system design, operation, and autonomous adaptation and optimization will be necessary in order to exploit these new opportunities. Field deployments and centralized scientific instruments can also be revolutionized, moving (without traditional performance penalties) from wired to wireless connectivity for data and control systems, improving flexibility, and opening new sensing modalities, including the use of the 5G electromagnetic spectrum itself as an environmental probe. For DOE science, in contrast to commercial 5G applications and settings, devices will be deployed in extreme environments such as cryogenically cooled instrument control systems and in remote settings with harsh conditions, requiring the design of new materials for RF communication and edge processing to operate in these regimes. Concurrently, 5G infrastructure comprises both hardware and sophisticated software systems - currently closed and proprietary. The cybersecurity challenges to 5G-empowered reinvention mirror the complexity and variety of new 5G features, from virtualization to private network slices to ubiquitous access. Research is also needed in order to accelerate the development of secure and open 5G software infrastructure, reducing reliance on hardware and software produced outside the United States and providing the transparency and rigorous evaluation and testing afforded through open software. Twelve broad research thrusts are laid out in four chapters, with a companion fifth chapter (and three additional research thrusts) underscoring the needs and opportunities for an aggressive testbed program co-designed by networking experts and scientists involved in the 15 research thrusts. The urgency of undertaking this research is fueled by a global, accelerating deployment of new telecommunications infrastructure that is designed for entertainment and commercial applications - barely scratching the surface of what 5G can do to extend U.S. leadership in scientific discovery.

42 ENGINEERING↗

Selective mass scaling for single-layer thick shell elements in DYNA3D

Hexahedral elements can be adapted to model thin and moderately thick structures by neglecting the coupling of through-thickness stress, resulting in a fully three-dimensional, but simplified, state of stress. These specialized elements, often referred to as “thick” or “solid” shells, are generally employed to model thin-walled structures using continuum mechanics-based material models. In explicit dynamics simulations, where computational speed is important, these elements are integrated with a single quadrature point and a set of anti-hourglassing (stabilizing) forces. Thick shells, by definition, have a thickness dimension smaller than their in-plane dimensions, and this small thickness often determines the stable time step size in simulations, despite the mechanics being approximated. To alleviate this limitation while retaining the relevant dynamics of thin-walled structures, selective mass scaling (SMS), or selective mass “augmentation,” has been proposed in the literature. In this technical report, we explore the application of SMS to single-layer thick shells in the simulation software DYNA3D.

42 ENGINEERING↗

A novel measurement of marginal Alfven Eigenmode stability during high power auxiliary heating in JET

The interaction of Alfven Eigenmodes (AEs) and energetic particles is one of many important factors determining the success of future tokamaks. In JET, eight in-vessel antennas were installed to actively probe stable AEs with frequencies ranging 25-250 kHz and toroidal mode numbers |n| < 20. During the 2019-2020 deuterium campaign, almost 7500 resonances and their frequencies f0, net damping rates \gamma < 0, and toroidal mode numbers were measured in almost 800 plasma discharges. From a statistical analysis of this database, continuum and radiative damping are inferred to increase with edge safety factor, edge magnetic shear, and when including non-ideal effects. Both stable AE observations and their associated damping rates are found to decrease with |n|. Active antenna excitation is also found to be ineffective in H-mode as opposed to L-mode; this is likely due to the increased edge density gradient's effect on accessibility and ELM-related noise's impact on mode identification. A novel measurement is reported of a marginally stable, edge-localized Ellipticity-induced AE probed by the antennas during high-power auxiliary heating (ICRH and NBI) up to 25 MW. NOVA-K kinetic-MHD simulations show good agreement with experimental measurements of f0, \gamma, and n, indicating the dominance of continuum and electron Landau damping in this case. Similar experimental and computational studies are planned for the recent hydrogen and ongoing tritium campaigns, in preparation for the upcoming DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Energy transfer by radiation in non-grey atomic gases in isothermal and non-isothermal slabs

A multiband model for the absorption coefficient of atomic hydrogen-helium plasmas is constructed which includes continuum and line contributions. Emission from 28 stronger lines of 106 that have been screened is considered, of which 21 are from hydrogen and 7 belong to helium, with reabsorption due to line-line, line-continuum overlap accurately accounted for. The model is utilized in the computation of intensities and fluxes from shock-heated slabs of 85% H2-15% He mixtures for slab thicknesses from 1 to 30 cm, temperature from 10,000 to 20,000 K, and for different densities. In conjunction with the multiband model, simple numerical schemes have been devised which provide a quick and comprehensive way of computing radiative energy transfer in nonisothermal and nongrey gases.

Poon, P. T. Y.↗

17-25 micrometer spectra of Jupiter and Saturn

Ground-based spectra of Jupiter and Saturn in the region from 17 to 25 microns are compared with intensities computed from current thermal-structure models. Good agreement with the continuum of Jupiter is obtained for models which incorporate a temperature inversion, but published models give disagreement with the continuum of Saturn. Upper-limit abundances for sulfur and phosphorus in the Jovian atmosphere, as thermodynamically stable species S8 and P4, are found to be 0.04 and 2.1 times the solar abundance, respectively.

Tokunaga, A.↗

Photometry of Comet Halley

Observations of Comet Giacobini-Zinner were obtained on one night and of Comet Halley of three nights. When the comet becomes high enough it is hoped to obtain further observations of Comet Halley. Considerable progress was made in developing a probabalistic model for the emission of neutral dust by the nucleus of the comet. A preliminary comparison between the model and the observed intensity profiles in continuum filters is made. The model can also be used to compute the expected impact rates of dust on spacecraft flying past the comet.

Neff, J. S.↗

Anisotropic line emission and the geometry of the broad-line region in active galactic nuclei

Attention is given to an escape probability-based formalism, including the interaction with a background opacity, which is used to predict line-beaming factors for broad-line region (BLR) clouds of AGN. Several computational details necessary to model gas exposed to an intense nonthermal continuum are outlined. It is found that all hydrogen lines are strongly inwardly beamed, and that C IV 1549 is moderately beamed. The implications of this for the geometry of the emission-line regions of AGN are discussed. Beaming is found to cause the source-cloud separation to be overestimated by variability studies (so that the radiation field at the BLR is even more intense than previously thought); it can even cause spherical geometries to have little instantaneous response to continuum changes.

Ferland, G. J.↗

Pre- and postperihelon abundances of gas and dust in comet Halley

Photometrically calibrated spectra of comet P/Halley (1986 III) were recorded between 1985 September 12-1986 June 10 using the Ohio State University Image Dissector Scanner on the Perkins 72 inch telescope at the Lowell Observatory. Column densities of CN, C3, CH, C2, and NH2 were calculated from measured fluxes in these spectra, and molecular scale lengths were deduced from the radial distribution of CN, C3, C2, and NH2. Production rates were computed using the new scale lengths and a Haser model analysis. Continuum emission at 4260 A was used to derive gas-to-dust ratios. The data indicate than comet Halley was approximately 2-5 times more abundant in gas and dust at postperihelion than preperihelion. On 1986 June 8 we observed the onset of a cometary ourburst which appeared very strong in dust production. The gas-to-dust ratios appeared to be subject to changes as a result of short-term outbursts but otherwise did not exhibit any systematic dependence on heliocentric distance. Reflectivity gradients of the continuum were also measured from the spectra. While most of the continua were red, blue continua were also observed which may be correlated with dust outbursts.

Womack, Maria↗