Assessment of End-to-End and Sequential Data-driven Learning of Fluid FlowsIn this work we explore the advantages of end-to-end learning of multilayer maps offered by feed forward neural-networks (FFNN) for learning and predicting dynamics from transient fluid flow…Shivakanth Chary Puligilla, Balaji Jayaraman·Jun 20, 2018SaveLearn
Data clustering based on Langevin annealing with a self-consistent potentialThis paper introduces a novel data clustering algorithm based on Langevin dynamics, where the associated potential is constructed directly from the data. To introduce a self-consistent potential, we…Kyle Lafata, Zhennan Zhou, Jian-Guo Liu et al.·Jun 20, 2018SaveLearn
Large Scale Finite-Element Simulation of Micromagnetic Thermal NoiseAn efficient method for the calculation of ferromagnetic resonant modes of magnetic structures is presented. Finite-element discretization allows flexible geometries and location dependent material…Florian Bruckner, Massimiliano d'Aquino, Claudio Serpico et al.·Jun 20, 2018SaveLearn
Mesoscopic model for soft flowing systems with tunable viscosity ratioWe propose a mesoscopic model of binary fluid mixtures with tunable viscosity ratio based on a two-range pseudo-potential lattice Boltzmann method, for the simulation of soft flowing systems. In…Linlin Fei, Andrea Scagliarini, Andrea Montessori et al.·Jun 18, 2018SaveLearn
Treatment of solid objects in the Pencil Code using an immersed boundary method and overset gridsTwo methods for solid body representation in flow simulations available in the Pencil Code are the immersed boundary method and overset grids. These methods are quite different in terms of…Jørgen R. Aarnes, Tai Jin, Chaoli Mao et al.·Jun 18, 2018SaveLearn
Conformational dynamics of charged polymers interacting with charged nanoparticlesThe transition from globular to elongated states of biopolymers in shear flow occurs at a distinct critical shear rate, γ*. The magnitude of γ* depends on the internal potential…Yuanzheng Zhu, Zixiang Liu, Michael T. Griffin et al.·Jun 17, 2018SaveLearn
A physics-based shock capturing method for large-eddy simulationWe present a shock capturing method for large-eddy simulation of turbulent flows. The proposed method relies on physical mechanisms to resolve and smooth sharp unresolved flow features that may…Pablo Fernandez, Ngoc-Cuong Nguyen, Jaime Peraire·Jun 17, 2018SaveLearn
Scale Prevention By Ceramic BallsIn industrial facilities and household equipments scale formation leads to reduced efficiency and damages. Therefore various devices for anti-scale have been designed for a long time. Recently one of…Hideo Kawarada, Olivier Pironneau·Jun 16, 2018SaveLearn
Anisotropic mechanical properties and strain tuneable band-gap in single-layer SiP, SiAs, GeP and GeAsIn this investigation, we conducted density functional theory simulations to explore the mechanical responses of single-layer GeP, GeAs, SiP and SiAs. In particular, we explored the possibility of…Bohayra Mortazavi, Timon Rabczuk·Jun 16, 2018SaveLearn
Accelerating molecular dynamics simulations with population annealingPopulation annealing is a powerful tool for large-scale Monte Carlo simulations. We adapt this method to molecular dynamics simulations and demonstrate its excellent accelerating effect by simulating…Henrik Christiansen, Martin Weigel, Wolfhard Janke·Jun 15, 2018SaveLearn
Fractal mesh refinement, rare events and type Ia supenovaFractal mesh refinement enables mesh refinement regimes to the Gibson scale and beyond. Conventional multifractal subgrid models have cost considerations which also lead to local mesh refinement, but…James Glimm·Jun 15, 2018SaveLearn
Maximus: a Hybrid Particle-in-Cell Code for Microscopic Modeling of Collisionless PlasmasA second-order accurate divergence-conserving hybrid particle-in-cell code Maximus has been developed for microscopic modeling of collisionless plasmas. The main specifics of the code include a…J. A. Kropotina, A. M. Bykov, A. M. Krassilchtchikov et al.·Jun 15, 2018SaveLearn
Constrained Density Functional Theory Calculation with Iterative OptimizationAn iterative optimization approach that simultaneously minimizes the energy and optimizes the Lagrange multipliers enforcing desired constraints is presented. The method is tested on previously…D. Kidd, A. S. Umar, K. Varga·Jun 14, 2018SaveLearn
Harmonic surface mapping algorithm for fast electrostatic sumsWe propose a harmonic surface mapping algorithm (HSMA) for electrostatic pairwise sums of an infinite number of image charges. The images are induced by point sources within a box due to a specific…Qiyuan Zhao, Jiuyang Liang, Zhenli Xu·Jun 13, 2018SaveLearn
Particles-on-Demand for Kinetic TheoryA novel formulation of fluid dynamics as a kinetic theory with tailored, on-demand constructed particles removes any restrictions on Mach number and temperature as compared to its predecessors, the…B. Dorschner, F. Bösch, I. V. Karlin·Jun 13, 2018SaveLearn
Comparison of Preconditioning Strategies in Energy Conserving Implicit Particle in Cell MethodsThis work presents a set of preconditioning strategies able to significantly accelerate the performance of fully implicit energy-conserving Particle-in-Cell methods to a level that becomes…Lorenzo Siddi, Emanuele Cazzola, Giovanni Lapenta·Jun 12, 2018SaveLearn
A Simflowny-based finite-difference code for high-performance computing in RelativityThe tremendous challenge of comparing our theoretical models with the gravitational-wave observations in the new era of multimessenger astronomy requires accurate and fast numerical simulations of…Carlos Palenzuela, Borja Miñano, Daniele Viganò et al.·Jun 11, 2018SaveLearn
Solutions of New Potential Integral Equations Using MLFMA Based on the Approximate Stable DiagonalizationWe present efficient solutions of recently developed potential integral equations (PIEs) using a low-frequency implementation of the multilevel fast multipole algorithm (MLFMA). PIEs enable accurate…Ugur Meric Gur, Ozgur Ergul·Jun 11, 2018SaveLearn
Second Order Scattering Models of Elastic Waves in Heterogeneous Polycrystalline MaterialsA general second order attenuation (SOA) model is proposed to predict the elastic wave attenuation and phase velocity dispersion in heterogeneous polycrystalline media. It is valid for statistically…Gaofeng Sha·Jun 9, 2018SaveLearn
Pushing the Limits of Monte Carlo Simulations for the 3d Ising ModelWhile the 3d Ising model has defied analytic solution, various numerical methods like Monte Carlo, MCRG and series expansion have provided precise information about the phase transition. Using Monte…Alan M. Ferrenberg, Jiahao Xu, David P. Landau·Jun 9, 2018SaveLearn
Hydrogenation and defect formation control the strength and ductility of MoS2 nanosheets: Reactive molecular dynamics simulationTwo-dimensional (2D) molybdenum disulfide (MoS2) has attracted significant attention because of its outstanding properties, suitable for application in several critical technologies like, solar…Mostafa Hasanian, Bohayra Mortazavi, Alireza Ostadhossein et al.·Jun 9, 2018SaveLearn
Data sets and trained neural networks for Cu migration barriersKinetic Monte Carlo (KMC) is an efficient method for studying diffusion. A limiting factor to the accuracy of KMC is the number of different migration events allowed in the simulation. Each event…Jyri Kimari, Ville Jansson, Simon Vigonski et al.·Jun 8, 2018SaveLearn
Application of artificial neural networks for rigid lattice kinetic Monte Carlo studies of Cu surface diffusionKinetic Monte Carlo (KMC) is a powerful method for simulation of diffusion processes in various systems. The accuracy of the method, however, relies on the extent of details used for the…Jyri Kimari, Ville Jansson, Simon Vigonski et al.·Jun 8, 2018SaveLearn
A Line-free Method of Monopoles for 3D Dislocation DynamicsWe develop an approximation scheme for three-dimensional dislocation dynamics in which the dislocation line density is concentrated at points, or monopoles. Every monopole carries a Burgers vector…A. Deffo, M. P. Ariza, M. Ortiz·Jun 8, 2018SaveLearn
Robust chemical solver for fully-implicit simulationsThe study of geological systems requires the solution of complex geochemical relations. We present an implementation of a chemical solver which can handle various types of models, including surface…McNeece Colin, Raynaud Xavier, Nilsen Halvor et al.·Jun 8, 2018SaveLearn