Combined State and Parameter Estimation in Level-Set MethodsReduced-order models based on level-set methods are widely used tools to qualitatively capture and track the nonlinear dynamics of an interface. The aim of this paper is to develop a…Hans Yu, Matthew P. Juniper, Luca Magri·Mar 1, 2019SaveLearn
Completing density functional theory by machine-learning hidden messages from moleculesKohn-Sham density functional theory is the base of modern computational approaches to electronic structures. Their accuracy vitally relies on the exchange-correlation energy functional, which…Ryo Nagai, Ryosuke Akashi, Osamu Sugino·Mar 1, 2019SaveLearn
Fast Distance Fields for Fluid Dynamics Mesh Generation on Graphics HardwareWe present a CUDA accelerated implementation of the Characteristic/Scan Conversion algorithm to generate narrow band signed distance fields in logically Cartesian grids. We outline an approach of…A. Roosing, O. T. Strickson, N. Nikiforakis·Mar 1, 2019SaveLearn
A massively parallel semi-Lagrangian solver for the six-dimensional Vlasov-Poisson equationThis paper presents an optimized and scalable semi-Lagrangian solver for the Vlasov-Poisson system in six-dimensional phase space. Grid-based solvers of the Vlasov equation are known to give accurate…Katharina Kormann, Klaus Reuter, Markus Rampp·Mar 1, 2019SaveLearn
Model-Free Cluster Analysis of Physical Property Data using Information Maximizing Self-Argument TrainingWe present the semi-supervised IMSAT, a versatile classification method that works without labeled data and can be tuned by little additional information. We demonstrate how semi-supervised IMSAT can…Ryohto Sawada, Yuma Iwasaki, Masahiko Ishida·Mar 1, 2019SaveLearn
Atom-in-jellium equations of state in the high energy density regimeRecent path-integral Monte Carlo and quantum molecular dynamics simulations have shown that computationally efficient average-atom models can predict thermodynamic states in warm dense matter to…Damian C. Swift, Thomas Lockard, Richard G. Kraus et al.·Mar 1, 2019SaveLearn
A space-time smooth artificial viscosity method with wavelet noise indicator and shock collision scheme, Part 1: the 1-D caseIn this first part of two papers, we extend the C-method developed in [40] for adding localized, space-time smooth artificial viscosity to nonlinear systems of conservation laws that propagate shock…Raaghav Ramani, Jon Reisner, Steve Shkoller·Mar 1, 2019SaveLearn
A space-time smooth artificial viscosity method with wavelet noise indicator and shock collision scheme, Part 2: the 2-D caseThis is the second part to our companion paper [18]. Herein, we generalize to two space dimensions the C-method developed in [20,18] for adding localized, space-time smooth artificial viscosity to…Raaghav Ramani, Jon Reisner, Steve Shkoller·Mar 1, 2019SaveLearn
A semi-implicit, energy- and charge-conserving particle-in-cell algorithm for the relativistic Vlasov-Maxwell equationsConventional explicit electromagnetic particle-in-cell (PIC) algorithms do not conserve discrete energy exactly. Time-centered fully implicit PIC algorithms can conserve discrete energy exactly, but…Guangye Chen, Luis Chacón, Lin Yin et al.·Feb 28, 2019SaveLearn
Lattice Boltzmann Models for Micro-tomographic Pore-spacesThe lattice Boltzmann method (LBM) is a popular numerical framework to investigate single and multiphase flow though porous media. For estimation of absolute permeability based on micro-tomographic…Parthib Rao, Laura Schaefer·Feb 28, 2019SaveLearn
Deep active subspaces - a scalable method for high-dimensional uncertainty propagationA problem of considerable importance within the field of uncertainty quantification (UQ) is the development of efficient methods for the construction of accurate surrogate models. Such efforts are…Rohit Tripathy, Ilias Bilionis·Feb 27, 2019SaveLearn
Multipole expansion for magnetic structures: A generation scheme for symmetry-adapted orthonormal basis set in crystallographic point groupWe propose a systematic method to generate a complete orthonormal basis set of multipole expansion for magnetic structures in arbitrary crystal structure. The key idea is the introduction of a…M. -T. Suzuki, T. Nomoto, R. Arita et al.·Feb 27, 2019SaveLearn
Physical-density integral equation methods for scattering from multi-dielectric cylindersAn integral equation-based numerical method for scattering from multi-dielectric cylinders is presented. Electromagnetic fields are represented via layer potentials in terms of surface densities with…Johan Helsing, Anders Karlsson·Feb 27, 2019SaveLearn
A fully implicit, scalable, conservative nonlinear relativistic Fokker-Planck 0D-2P solver for runaway electronUpon application of a sufficiently strong electric field, electrons break away from thermal equilibrium and approach relativistic speeds. These highly energetic runaway electrons (MeV) play a…Don Daniel, William T. Taitano, Luis Chacón·Feb 26, 2019SaveLearn
Numerical simulation of a coupled system of Maxwell equations and a gas dynamic modelIt is known that both linear and nonlinear optical phenomena can be produced when the plasmon in metallic nanostructures are excited by the external electromagnetic waves. In this work, a coupled…Maohui Lyu, Weng Cho Chew, Lijun Jiang et al.·Feb 26, 2019SaveLearn
A block triple-relaxation-time lattice Boltzmann model for nonlinear anisotropic convection-diffusion equationsA block triple-relaxation-time (B-TriRT) lattice Boltzmann model for general nonlinear anisotropic convection-diffusion equations (NACDEs) is proposed, and the Chapman-Enskog analysis shows that the…Yong Zhao, Yao Wu, Zhenhua Chai et al.·Feb 26, 2019SaveLearn
A composite neural network that learns from multi-fidelity data: Application to function approximation and inverse PDE problemsWe propose a new composite neural network (NN) that can be trained based on multi-fidelity data. It is comprised of three NNs, with the first NN trained using the low-fidelity data and coupled to two…Xuhui Meng, George Em Karniadakis·Feb 26, 2019SaveLearn
Effective medium approximation of ellipsometric response from random surface roughness simulated by finite-element methodWe used numerical simulations based on the finite element method (FEM) to calculate both the amplitude and phase information of the scattered electric field from random rough surfaces, which can be…B. Fodor, P. Kozma, S. Burger et al.·Feb 26, 2019SaveLearn
Data-driven Material Models for Atomistic SimulationThe central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required…Mitchell A. Wood, Mary Alice Cusentino, Brian D. Wirth et al.·Feb 25, 2019SaveLearn
Hybridizing WENO implementations of interpolation and reconstruction-wise operation for upwind-biased schemes with free-stream preservationCases have shown that WENO schemes usually behave robustly on problems containing shocks with high pressure ratios when uniformed or smooth grids are present, while nonlinear schemes based on WENO…Qin Li, Dong Sun·Feb 25, 2019SaveLearn
High-Performance Numerical Modeling of Nanofabrics with Distinct Element MethodA universal framework for modeling composites and fabrics of micro- and nanofibers, such as carbon nanotubes, carbon fibers and amyloid fibrils, is presented. Within this framework, fibers are…Igor A. Ostanin·Feb 25, 2019SaveLearn
A generalized lattice Boltzmann model for fluid flow system and its application in two-phase flowsIn this paper, a generalized lattice Boltzmann (LB) model with a mass source is proposed to solve both incompressible and nearly incompressible Navier-Stokes (N-S) equations. This model can be used…Xiaolei Yuan, Zhenhua Chai, Huili Wang et al.·Feb 24, 2019SaveLearn
Nonlinear Diffusion Acceleration of the Least-Squares Transport Equation in Geometries with VoidsIn this paper we show the extension of the Nonlinear-Diffusion Acceleration (NDA) to geometries containing small voids using a weighted least-squares (WLS) high order equation. Even though the WLS…Hans Hammer, Jim Morel, Yaqi Wang·Feb 23, 2019SaveLearn
A Weighted Least-Squares Transport Equation Compatible with Source Iteration and VoidsLeast-squares (LS) forms of the transport equation can circumvent the void problems of other second order forms, but are almost always non-conservative. Additionally, the standard LS form is not…Hans Hammer, Jim Morel, Yaqi Wang·Feb 23, 2019SaveLearn
A conservative and non-dissipative Eulerian formulation for the simulation of soft solids in fluidsSoft solids in fluids find wide range of applications in science and engineering, especially in the study of biological tissues and membranes. In this study, an Eulerian finite volume approach has…Suhas S. Jain, Ken Kamrin, Ali Mani·Feb 22, 2019SaveLearn