Rational Design Protocols for Size-Based Particle Sorting Microdevices Using Symmetry-Induced Cyclical DynamicsIn this paper, we describe the unification and extension of multiple kinematic theories on the advection of colloidal particles through periodic obstacle lattices of arbitrary geometry and…Arnaldo Rodriguez-Gonzalez, Jason P. Gleghorn, Brian J. Kirby·Oct 31, 2019SaveLearn
Machine Learning for Parameter Auto-tuning in Molecular Dynamics Simulations: Efficient Dynamics of Ions near Polarizable NanoparticlesSimulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep.…JCS Kadupitiya, Geoffrey C. Fox, Vikram Jadhao·Oct 31, 2019SaveLearn
Exact and efficient calculation of derivatives of Lagrange multipliers for molecular dynamic simulations of biological moleculesIn the simulation of biological molecules, it is customary to impose constraints on the fastest degrees of freedom to increase the time step. The evaluation of the involved constraint forces must be…Pablo García-Risueño·Oct 31, 2019SaveLearn
Evaluation of Surrogate Models for Multi-fin Flapping Propulsion SystemsThe aim of this study is to develop surrogate models for quick, accurate prediction of thrust forces generated through flapping fin propulsion for given operating conditions and fin geometries.…Kamal Viswanath, Alisha Sharma, Saketh Gabbita et al.·Oct 31, 2019SaveLearn
Semi-Lagrangian lattice Boltzmann method for compressible flowsThis work thoroughly investigates a semi-Lagrangian lattice Boltzmann (SLLBM) solver for compressible flows. In contrast to other LBM for compressible flows, the vertices are organized in cells, and…Dominik Wilde, Andreas Krämer, Dirk Reith et al.·Oct 30, 2019SaveLearn
A hybrid approach to simulate the homogenized irreversible elastic-plastic deformations and damage of foams by neural networksClassically, the constitutive behavior of materials is described either phenomenologically, or by homogenization approaches. Phenomenological approaches are computationally very efficient, but are…Christoph Settgast, Geralf Hütter, Meinhard Kuna et al.·Oct 30, 2019SaveLearn
Assessing Standard and Kinetic Energy Conserving Discontinuous Galerkin Formulations for Marginally Resolved Navier-Stokes FlowsThe robustness and accuracy of marginally resolved discontinuous Galerkin spectral element computations are evaluated for the standard formulation and a kinetic energy conserving split form on…B. F. Klose, G. B. Jacobs, D. A Kopriva·Oct 30, 2019SaveLearn
Data-driven recovery of hidden physics in reduced order modeling of fluid flowsIn this article, we introduce a modular hybrid analysis and modeling (HAM) approach to account for hidden physics in reduced order modeling (ROM) of parameterized systems relevant to fluid dynamics.…Suraj Pawar, Shady E. Ahmed, Omer San et al.·Oct 30, 2019SaveLearn
Cassie-Wenzel transition of a binary liquid mixture on a nano-sculptured surfaceThe Cassie-Wenzel transition of a symmetric binary liquid mixture in contact with a nano-corrugated wall is studied. The corrugation consists of a periodic array of nano-pits with square cross…Swarn Lata Singh, Lothar Schimmele, S. Dietrich·Oct 30, 2019SaveLearn
Efficient supersonic flows through high-order guided equilibrium with lattice BoltzmannA double-distribution-function based lattice Boltzmann method (DDF-LBM) is proposed for the simulation of polyatomic gases in the supersonic regime. The model relies on an extended equilibrium state…Jonas Latt, Christophe Coreixas, Joel Beny et al.·Oct 29, 2019SaveLearn
Highly-scalable, physics-informed GANs for learning solutions of stochastic PDEsUncertainty quantification for forward and inverse problems is a central challenge across physical and biomedical disciplines. We address this challenge for the problem of modeling subsurface flow at…Liu Yang, Sean Treichler, Thorsten Kurth et al.·Oct 29, 2019SaveLearn
Implementation of annihilation and junction reactions in vector density-based continuum dislocation dynamicsIn a continuum dislocation dynamics formulation by Xia and El-Azab, dislocations are represented by a set of vector density fields, one per crystallographic slip systems. The space-time evolution of…Peng Lin, Anter El-Azab·Oct 28, 2019SaveLearn
Mathematical Modelling of Streamwise Velocity Profile in Open Channels Using Tsallis EntropyThis study derived the vertical distribution of streamwise velocity in wide open channels by maximizing Tsallis entropy, in accordance with the maximum entropy principle, subject to the total…Manotosh Kumbhakar, Rajendra K. Ray, Suvra Kanti Chakraborty et al.·Oct 28, 2019SaveLearn
Modelling low Mach number stellar hydrodynamics with MAESTROeXModelling long-time convective flows in the interiors of stars is extremely challenging using conventional compressible hydrodynamics codes due to the acoustic timestep limitation. Many of these…A. Harpole, D. Fan, M. P. Katz et al.·Oct 28, 2019SaveLearn
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy modelsIn recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform molecular dynamics simulations for large…Yuzhi Zhang, Haidi Wang, Weijie Chen et al.·Oct 28, 2019SaveLearn
High Resolution Finite Volume Method for Kinetic Equations with Poisson BracketsSimulation of plasmas in electromagnetic fields requires numerical solution of a kinetic equation that describes the time evolution of the particle distribution function. In this paper we propose a…Igor V. Sokolov, Haomin Sun, Gabor Toth et al.·Oct 25, 2019SaveLearn
U-net architectures for fast prediction of incompressible laminar flowsMachine learning is a popular tool that is being applied to many domains, from computer vision to natural language processing. It is not long ago that its use was extended to physics, but its…Junfeng Chen, Jonathan Viquerat, Elie Hachem·Oct 25, 2019SaveLearn
Data-driven Discovery of Partial Differential Equations for Multiple-Physics Electromagnetic ProblemDeriving governing equations in Electromagnetic (EM) environment based on first principles can be quite tough when there are some unknown sources of noise and other uncertainties in the system. For…Bing Xiong, Haiyang Fu, Feng Xu et al.·Oct 24, 2019SaveLearn
Parallel Approximate Ideal Restriction Multigrid for Solving the SN Transport EquationsThe computational kernel in solving the SN transport equations is the parallel sweep, which corresponds to directly inverting a block lower triangular linear system that arises in discretizations…Joshua Hanophy, Ben S. Southworth, Ruipeng Li et al.·Oct 24, 2019SaveLearn
Theoretical analysis and kinetic modeling on hydrogen addition and abstraction by H radical of 1,3-cyclopentadiene and the associated chain-branching reactionsCyclopentadiene (CPD) is an important intermediate in the combustion of fuel and the formation of aromatics. In the present study, the kinetics and thermodynamic properties for hydrogen abstraction…Qian Mao, Liming Cai, Heinz Pitsch·Oct 24, 2019SaveLearn
A Conservative Discontinuous Galerkin Discretization for the Total Energy Formulation of the Reacting Navier Stokes EquationsThis paper describes the total energy formulation of the compressible reacting Navier-Stokes equations which is solved numerically using a fully conservative discontinuous Galerkin finite element…Ryan F. Johnson, Andrew D. Kercher·Oct 23, 2019SaveLearn
GPU Accelerated Simulation of Channeling Radiation of Relativistic ParticlesIn this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra…Christian Flohr Nielsen·Oct 23, 2019SaveLearn
Machine learning and serving of discrete field theories -- when artificial intelligence meets the discrete universeA method for machine learning and serving of discrete field theories in physics is developed. The learning algorithm trains a discrete field theory from a set of observational data on a spacetime…Hong Qin·Oct 22, 2019SaveLearn
Numerical comparative study between regularized Gauss-Newton and Conjugate-Gradient methods in the context of microwave tomographyThe reconstruction of relative permittivity and conductivity in microwave tomography is carried out using regularized Gauss-Newton and Conjugate-Gradient iterative schemes. These two approaches are…Slimane Arhab·Oct 22, 2019SaveLearn
Dissipative modes, Purcell factors and directional beta factors in gold bowtie nanoantenna structuresWe present a detailed quasinormal mode analysis of gold bowtie nanoantennas, and highlight the unusual role of the substrate and the onset of multi-mode behaviour. In particular, we show and explain…Chelsea Carlson, Stephen Hughes·Oct 22, 2019SaveLearn