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At least 199 records · Page 11

Scalable Implicit Solvers with Dynamic Mesh Adaptation for a Relativistic Drift-Kinetic Fokker–Planck–Boltzmann Model

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker–Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source. Here, we develop a new scalable fully implicit solver utilizing finite volume and conservative finite difference schemes and dynamic mesh adaptivity. A new data management framework in the PETSc library based on the p4est library is developed to enable simulations with dynamic adaptive mesh refinement (AMR), distributed memory parallelization, and dynamic load balancing of computational work. This framework and the runaway electron solver building on the framework are able to dynamically capture both bulk Maxwellian at the low-energy region and a runaway tail at the high-energy region. To effectively capture features via the AMR algorithm, a new AMR indicator prediction strategy is proposed that is performed alongside the implicit time evolution of the solution. This strategy is complemented by the introduction of computationally cheap feature-based AMR indicators that are analyzed theoretically. Numerical results quantify the advantages of the prediction strategy in better capturing features compared with nonpredictive strategies; and we demonstrate trade-offs regarding computational costs. The robustness with respect to model parameters, algorithmic scalability, and parallel scalability are demonstrated through several benchmark problems including manufactured solutions and solutions of different physics models. We focus on demonstrating the advantages of using implicit time stepping and AMR for runaway electron simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nanopore networks in colloidal silica assemblies characterized by XCT for confined fluid flow modeling

Fluid flow through nanopore structures has exhibited different behavior than that described by Darcy's law, derived from pore networks of micrometer scale. Here, pressure assemblies of colloidal silica spheres of specified diameters from 94 to 620 nanometers were prepared as model nano-porous media. The smaller silica spheres tended to form random packing, but some substantial ordering was found in the packing of the larger silica spheres. X-ray computed tomography (XCT), with a voxel resolution of 16 nm, was used to characterize the nanopore networks. The porosity of the Nano-XCT pore network (34%) was less than the total porosity of the assemblies as determined by X-ray attenuation (52%), possibly due to the limits of voxel resolution during segmentation. Fluid flow in the nanopore networks was simulated using the single-phase Lattice Boltzmann Method, and the simulated permeability was compared with the empirical and experimental values. Based on our characterization, although a well-ordered packing of silica spheres was not achieved, it was found that the nanopore networks in the colloidal silica assemblies had pore size distributions corresponding to the particle sizes. The simulated permeability was less than the experimental measurement for water flow, but the complex packing of silica spheres and surface chemistry issues need to be considered in future research.

02 PETROLEUM↗

The Information Length Concept Applied to Plasma Turbulence

A methodology to study statistical properties of anomalous transport in fusion plasma is investigated. Three time traces generated by the full-f gyrokinetic code GKNET are analyzed for this purpose. The time traces consist of heat flux as a function of the radial position, which is studied in a novel manner using statistical methods. The simulation data exhibit transport processes with both medium and long correlation length along the radius. A typical example of a phenomenon with long correlation length is avalanches. In order to investigate the evolution of the turbulent state, two basic configurations are studied, one flux-driven and one gradient-driven with decaying turbulence. The information length concept in tandem with Boltzmann–Gibbs and Tsallis entropy is used in the investigation. It is found that the dynamical states in both flux-driven and gradient-driven cases are surprisingly similar, but the Tsallis entropy reveals differences between them. This indicates that the types of probability distribution function are nevertheless quite different since the higher moments are significantly different.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reduced-model scrape-off layer turbulence (nSOLT) simulations comparing three fueling scenarios

The 2D scrape-off-layer turbulence code (nSOLT) includes 1D Boltzmann neutral–plasma interactions, a model of divertor recycling (introduced here), and a fixed source of plasma concentrated at the core-side boundary. Three fueling methods are considered herein: (1) neutral injection in the far-SOL is accomplished by specifying the density of Franck–Condon distributed neutrals streaming in from the boundary. (2) Divertor recycling is modeled by injecting a fraction of the particle parallel flux in the scrape-off layer (SOL) back into the edge region as a source of plasma. (3) A constant source fuels the edge plasma from the core-side boundary to model pellet injection. For machine parameters (B, R m , and L // ) illustrative of the MAST-U device, and for a deuterium plasma, turbulent equilibria are obtained that share the same plasma fueling rate for each of the three fueling methods, with only one of the sources on in each case. In the presence of self-consistent turbulence, quasi-steady plasma and neutral (deuterium) profiles, fueling efficiencies, SOL transparencies, and heat flux widths are compared. Characteristics of the turbulent fluctuations, including skewness, cross-phases, and power spectra, are described. The calculated fueling efficiencies, SOL transparencies to neutral penetration, and many of the turbulent properties are remarkably similar for all three fueling methods despite significant differences in the plasma profiles. The nonlinear states of the three cases are dominated by separatrix-spanning vortex cells that control particle and heat losses into the SOL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Entanglement features of random neural network quantum states

Restricted Boltzmann machines (RBMs) are a class of neural networks that have been successfully employed as a variational ansatz for quantum many-body wave functions. Here, we develop an analytic method to study quantum many-body spin states encoded by random RBMs with independent and identically distributed complex Gaussian weights. By mapping the computation of ensemble-averaged quantities to statistical mechanics models, we are able to investigate the parameter space of the RBM ensemble in the thermodynamic limit. We discover qualitatively distinct wave functions by varying RBM parameters, which correspond to distinct phases in the equivalent statistical mechanics model. Notably, there is a regime in which the typical RBM states have near-maximal entanglement entropy in the thermodynamic limit, similar to that of Haar-random states. However, these states generically exhibit nonergodic behavior in the Ising basis, and do not form quantum state designs, making them distinguishable from Haar-random states.

36 MATERIALS SCIENCE↗

A Monte-Carlo method for Coulomb collisions in moderately coupled plasmas

Here, we introduce a new approach for coupling cumulative and single-scattering distributions, extending Monte Carlo methods for Coulomb collisions in weakly coupled plasmas into the moderately coupled regime. Using time steps typical of cumulative-scattering methods, we show that this approach not only recovers leading-order corrections proportional to the inverse Coulomb logarithm but also solves the full Boltzmann collision integral. A key feature of the method is its simplicity: it can be integrated into cumulative-scattering methods for weakly coupled plasmas with only ~ 10 additional lines of code.

Boltzmann collision integral↗

Interplay of effects of neutron skins in coordinate space and proton skins in momentum space on emission of hard photons in heavy-ion collisions near the Fermi energy

Within an isospin- and momentum-dependent Boltzmann-Uehling-Uhlenbeck transport model, we investigate the hard photons emission from neutron-proton bremsstrahlung in the reaction system of 208 Pb + 208 Pb around Fermi energy. Effects of neutron skins in coordinate (r) space and proton skins in momentum (k) space on the time evolution, the angular distribution, and the transverse momentum spectra of hard photons with different energies are studied. It is shown that the emission of direct hard photons is sensitive to the neutron skin, which has larger effects for more energetic hard photons. Meanwhile, we find that the proton skins have an important influence on the emission of direct hard photons, and its effect is actually even larger than that of neutron skins. Furthermore, it needs to take the effect of proton skins into account when we determine the size of neutron skins by comparing transport mode predictions of hard photons with the corresponding experimental measurements.

190 ≤ A ≤ 219↗

Evolution of in-medium baryon-baryon scattering cross sections and stiffness of dense nuclear matter from Bayesian analyses of FOPI proton-flow excitation functions

Within a Bayesian statistical framework using a Gaussian process (GP) emulator for an isospin-dependent Boltzmann-Uehling-Uhlenbeck (IBUU) transport model simulator of heavy-ion reactions with momentum-independent Skyrme interactions, we infer from the proton directed and elliptical flow in mid-central Au + Au reactions, measured at beam energies from 150 to 1200 MeV/nucleon by the FOPI Collaboration, the posterior probability distribution functions (PDFs) of the in-medium baryon-baryon scattering cross section (BBSCS) modification factor 𝑋 (with respect to their free-space values) and the stiffness parameter 𝐾 of dense nuclear matter. Here, we find that the most probable value of 𝑋 evolves from around 0.7 to 1.0 as the beam energy 𝐸 beam /𝐴 increases. On the other hand, the posterior PDF⁡(𝐾) may have dual peaks having roughly the same height or extended shoulders at high 𝐾 values. More quantitatively, the posterior PDF⁡(𝐾) changes from having a major peak around 220 MeV, characterizing a soft EOS in the reaction at 𝐸 beam /𝐴 = 150 MeV, to one that peaks around 320 MeV, indicating a stiff EOS in the reactions at 𝐸 beam /𝐴 higher than about 600 MeV. The transition from soft to stiff happens in mid-central Au + Au reactions at beam energies around 250 MeV/nucleon in which 𝐾 = 220 MeV and 𝐾 = 320 MeV are approximately equally probable. Altogether, the FOPI proton-flow excitation function data indicate a gradual hardening of hot and dense nuclear matter as its density and temperature increase in reactions with higher beam energies.

nuclear matter↗

Lattice Boltzmann model for conjugate heat transfer across thin walls

A lattice Boltzmann (LB) model with an efficient and accurate interface treatment for conjugate heat transfer across a thin wall between two different media is developed. The proposed interface treatment avoids fine meshing and computation within the thin layer; instead, the energy balance within the thin layer and the conjugate conditions on each interface are utilized to construct explicit updating schemes for the microscopic distribution functions of the LB model at the interior lattice nodes of the two media next to the thin layer. The proposed interface schemes reduce to the standard interface scheme for conjugate conditions in the literature in the limit of zero thickness of the thin layer, and thus it can be considered a more general interface treatment. A simplified version of the interface treatment is also proposed when the heat flux variation along the tangential direction of the thin layer is negligible. Three representative numerical tests are conducted to verify the applicability and accuracy of the proposed interface schemes. The results demonstrate that the intrinsic second-order accuracy of the LB model is preserved with the proposed interface schemes for thin layers with constant tangential fluxes, while for general situations with varying tangential fluxes, first-order accuracy is obtained. Finally, this interface treatment within the LB framework is attractive in conjugate heat transfer modeling involving thin layers for its simplicity, accuracy, and significant reduction in computational resources.

42 ENGINEERING↗

Radiative transfer in stars by feebly interacting bosons

Starting from first principles, we study radiative transfer by new feebly-interacting bosons (FIBs) such as axions, axion-like particles (ALPs), dark photons, and others. Our key simplification is to include only boson emission or absorption (including decay), but not scattering between different modes of the radiation field. Based on a given distribution of temperature and FIB absorption rate in a star, we derive explicit volume-integral expressions for the boson luminosity, reaching from the free-streaming to the strong-trapping limit. The latter is seen explicitly to correspond to quasi-thermal emission from a “FIB sphere” according to the Stefan-Boltzmann law. Our results supersede expressions and approximations found in the recent literature on FIB emission from a supernova core and, for radiatively unstable FIBs, provide explicit expressions for the nonlocal (“ballistic”) transfer of energy recently discussed in horizontal-branch stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Multi-GPU porting of a phase-change cascaded lattice Boltzmann method for three-dimensional pool boiling simulations

The Lattice Boltzmann method (LBM) has proven effective in simulating phase-change phenomena, such as melting, solidification, evaporation, and boiling. In this work, we develop a highly parallelized multi-GPU implementation of LBM for three-dimensional pool boiling simulations. The code is based on the OpenACC programming model, which enables the code to be deployed efficiently on multi-core CPUs, GPUs, and potentially other accelerators, without the need for architecture-specific rewrites. To support large-scale simulations, the domain is decomposed and distributed across multiple compute nodes using MPI. We demonstrate that the code exhibits excellent scaling properties, with ideal strong-scaling running with up to 256 GPUs on the MareNostrum5 cluster.

97 MATHEMATICS AND COMPUTING↗

Coupled Boltzmann transport equations of heavy quarks and quarkonia in quark-gluon plasma

We develop a framework of coupled transport equations for open heavy flavor and quarkonium states, in order to describe their transport inside the quark-gluon plasma. Our framework is capable of studying simultaneously both open and hidden heavy flavor observables in heavy-ion collision experiments and can account for both, uncorrelated and correlated recombination. Our recombination implementation depends on real-time open heavy quark and antiquark distributions. We carry out consistency tests to show how the interplay among open heavy flavor transport, quarkonium dissociation and recombination drives the system to equilibrium. We then apply our framework to study bottomonium production in heavy-ion collisions. We include Υ(1S), Υ(2S), Υ(3S), χb (1P) and χb (2P) in the framework and take feed-down contributions during the hadronic gas stage into account. Cold nuclear matter effects are included by using nuclear parton distribution functions for the initial primordial heavy flavor production. A calibrated 2 + 1 dimensional viscous hydrodynamics is used to describe the bulk QCD medium. We calculate both the nuclear modification factor R AA of all bottomonia states and the azimuthal angular anisotropy coefficient v 2 of the Υ(1S) state and find that our results agree reasonably with experimental measurements. Our calculations indicate that correlated cross-talk recombination is an important production mechanism of bottomonium in current heavy-ion experiments. The importance of correlated recombination can be tested experimentally by measuring the ratio of R AA ( χb (1P)) and R AA (Υ(2S)).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Light transport with weak angular dependence in fog

Random scattering and absorption of light by tiny particles in aerosols, like fog, reduce situational awareness and cause unacceptable down-time for critical systems or operations. Computationally efficient light transport models are desired for computational imaging to improve remote sensing capabilities in degraded optical environments. To this end, we have developed a model based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes, thereby covering the applicability domain of both the small angle and diffusion approximations. An analytic solution was derived and validated using experimental data acquired at the Sandia National Laboratory Fog Chamber facility. The evolution of the fog particle density and size distribution were measured and used to determine macroscopic absorption and scattering properties using Mie theory. A three-band (0.532, 1.55, and 9.68 µ m) transmissometer with lock-in amplifiers enabled changes in fog density of over an order of magnitude to be measured due to the increased transmission at higher wavelengths, covering both the moderate and highly scattering regimes. The meteorological optical range parameter is shown to be about 0.6 times the transport mean free path length, suggesting an improved physical interpretation of this parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗

DED Additively Manufactured HEAs Optimized via Parametric Study of Functionally Graded Materials

Complex concentrated alloys (CCAs) are a system of alloys composition of nearly equiatomic elements, creating a state of high configurational entropy in the material. These alloys are of interest for various industrial applications due to their high strength and hardness, wide operational temperature range, creep and diffusion resistance, and radiation resistance. In the current work CoCrFeNi-base CCAs are synthesize by combining three commonly industrial alloys: IN718, SS316L, and 70Co30Cr (commercially known as Stellite 21), in-situ utilizing directed energy deposition (DED) additive manufacturing (AM). One bulk specimen is fabricated with a 1:1:1 ratio of IN718, SS316L, and 70Co30Cr where IN718 is a source of nickel and chrome, SS316 is a source of iron and chrome, and 70Co30Cr is a source of cobalt and supplemental chrome. Additionally, a functionally graded material (FGM) of the identified CCA system from SS316 was fabricated with 10 layers, where the initial five layers are the base material of SS316L and graded by steps of 20% to transition to the CCA system. Overall build quality, microstructure, compositional distribution, phases analysis, and microhardness were studied by laser optical microscopy, scanning election microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray diffraction analysis (XRD), and Vickers microhardness techniques. Overall build quality showed a successful bulk build with acceptable density, however unmelted particles are observed in the as-built alloy. Compositional results show that the system meets the Boltzmann’s hypothesis definition of an HEA, and that an FCC CCA was produced with increased hardness, small grain size, and superior hardness properties to the SS316L substrate. While initial XRD results show predominately FCC structure, EDS analysis of interdendritic regions show the existence of Laves phases in the material. The fabrication of an FGM CCA allowed for potential screening of additional alloy mixes which may be of interest to explore in future research, and the resulting composition is compared to predicted values. This novel method of CCA fabrication results in substantial cost savings of these CCA systems over traditional methods.

36 MATERIALS SCIENCE↗

Moments of the Boltzmann collision operator for Coulomb interactions

Exact moments of the Boltzmann collision operator are calculated in the irreducible Hermitian moment expansion written in terms of the random-velocity variable of each species. The formulas are presented in closed, algebraic form and can be straightforwardly implemented in computer algebra systems. They are valid for two arbitrary masses, temperatures, and flow velocities, and hence include all other existing results derived for distribution functions expanded with respect to reference states of one temperature and flow velocity. In comparison, the Landau collisional moments are good approximations for large Coulomb logarithm and small relative flow velocity, but they fail to predict the correct behavior of most collisional moments for large relative flow even for weakly coupled plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Concept of Negative Capacitance in Ionically Conductive Van der Waals Ferroelectrics

Negative capacitance (NC) provides a path to overcome the Boltzmann limit that dictates operating voltages in transistors and, therefore, may open up a path to the challenging proposition of lowering energy consumption and waste heat in nanoelectronic integrated circuits. Typically, NC effects in ferroelectric materials are based on either stabilizing a zero-polarization state or slowing down ferroelectric switching in order to access NC regimes of the free-energy distribution. Here, a fundamentally different mechanism for NC, based on CuInP 2 S 6 , a van der Waals layered ferrielectric, is demonstrated. Using density functional theory and piezo-response force microscopy, it is shown that an unusual combination of high Cu-ion mobility and its crucial role in determining polarization magnitude and orientation (P) leads to a negative slope of the polarization versus the electric field E, dP/dE < 0, which is a requirement for NC. This mechanism for NC is likely to occur in a wide class of materials, offering new possibilities for NC-based devices. Finally, the nanoscale demonstration of this mechanism can be extended to the device-level by increasing the regions of homogeneous polarization and polarization switching, for example, through strain engineering and carefully selected electric field pulses.

36 MATERIALS SCIENCE↗

Optimizing temperature distributions for training neural quantum states using parallel tempering

Parametrized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and stymied by the presence of local minima in the parameter landscape. One approach to mitigate this issue is to use parallel tempering methods, and in this work, we focus on the role played by the temperature distribution of the parallel tempering replicas. Using an adaptive method that adjusts the temperatures in order to equate the exchange probability between neighboring replicas, we show that this temperature optimization can significantly increase the success rate of the variational algorithm with negligible computational cost by eliminating bottlenecks in the replicas' random walk. Furthermore, we demonstrate this using two different neural networks, a restricted Boltzmann machine and a feedforward network, which we use to study a toy problem based on a permutation invariant Hamiltonian with a pernicious local minimum and the 𝐽 1 −𝐽 2 model on a rectangular lattice.

Neural network simulations↗

The Impact of Micro Porous Layer on Liquid Water Evolution inside PEMFC using Lattice Boltzmann Method

Proton exchange membrane fuel cells (PEMFCs) require a gas diffusion layer to aid in fuel transport to the catalyst sites. A microporous layer (MPL) is often added to the GDL to improve liquid saturation inside gas diffusion media. In this work, the lattice Boltzmann method was applied to four GDL samples with the addition of an MPL. Three injection orientations were used to study liquid evolution through the samples. Each orientation used four different injection pressures, ranging from 5,000 Pa to 8,000 Pa. Saturation data for GDL samples with and without an MPL were compared. Results showed that when adding an MPL, liquid tends to distribute laterally under the MPL until pressure is reached to allow liquid to travel through the cracks of the MPL surface and into the GDL geometry. A more uniform saturation distribution across the sample is seen when comparing both types of GDLs. The outcomes of this work will help research that requires knowledge of the internal liquid transport through gas diffusion media for PEMFC application.

Sepe, M.↗