On the boundary condition and related instability in the Smoothed Particle HydrodynamicsIn this work, we explore various relevant aspects of the Smoothed Particle Hydrodynamics regarding Burger's equation. The stability, precision, and efficiency of the algorithm are investigated in…Chong Ye, Philipe Mota, Jin Li et al.·Aug 17, 2019SaveLearn
Machine Learning the Physical Non-Local Exchange-Correlation Functional of Density-Functional TheoryWe train a neural network as the universal exchange-correlation functional of density-functional theory that simultaneously reproduces both the exact exchange-correlation energy and potential. This…Jonathan Schmidt, Carlos L. Benavides-Riveros, Miguel A. L. Marques·Aug 16, 2019SaveLearn
Metallic liquid H3O in a thin-shell zone inside Uranus and NeptuneThe Solar System harbors deep unresolved mysteries despite centuries-long study. A highly intriguing case concerns anomalous non-dipolar and non-axisymmetric magnetic fields of Uranus and Neptune…Peihao Huang, Hanyu Liu, Jian Lv et al.·Aug 16, 2019SaveLearn
Fast Three-dimensional Opto-acoustic Simulation for Linear Array with Rectangular ElementsSimulation involves predicting responses of a physical system. In this article, we simulate opto-acoustic signals generated in a three-dimensional volume due to absorption of an optical pulse. A…Jason Zalev, Michael C. Kolios·Aug 15, 2019SaveLearn
Cosmological N-body simulations: a challenge for scalable generative modelsDeep generative models, such as Generative Adversarial Networks (GANs) or Variational Autoencoders (VAs) have been demonstrated to produce images of high visual quality. However, the existing…Nathanaël Perraudin, Ankit Srivastava, Aurelien Lucchi et al.·Aug 15, 2019SaveLearn
Cascaded Lattice Boltzmann Modeling and Simulations of Three-Dimensional Non-Newtonian Fluid FlowsNon-Newtonian fluid flows, especially in three dimensions (3D), arise in numerous settings of interest to physics. Prior studies using the lattice Boltzmann method (LBM) of such flows have so far…Saad Adam, Farzaneh Hajabdollahi, Kannan Premnath·Aug 15, 2019SaveLearn
Comparing quantum, molecular and continuum models for graphene at large deformationsIn this paper, the validity and accuracy of three interatomic potentials and the continuum shell model of Ghaffari and Sauer [1] are investigated. The mechanical behavior of single-layered graphene…Aningi Mokhalingam, Reza Ghaffari, Roger A. Sauer et al.·Aug 14, 2019SaveLearn
Quasi-Diabatic Scheme for Non-adiabatic On-the-fly SimulationsThis paper provides the first ab-initio on-the-fly example of using the Quasi-Diabatic (QD) scheme for non-adiabatic simulations with diabatic dynamics approaches. The QD scheme provides a seamless…Wanghuai Zhou, Arkajit Mandal, Pengfei Huo·Aug 14, 2019SaveLearn
Numerical benchmarking of fluid-rigid body interactionsWe propose a fluid-rigid body interaction benchmark problem, consisting of a solid spherical obstacle in a Newtonian fluid, whose centre of mass is fixed but is free to rotate. A number of different…Henry von Wahl, Thomas Richter, Christoph Lehrenfeld et al.·Aug 13, 2019SaveLearn
Implementation of contact angles in the pseudopotential lattice Boltzmann simulations with curved boundariesThe pseudopotential multiphase lattice Boltzmann (LB) model is a very popular model in the LB community for simulating multiphase flows. When the multiphase modeling involves a solid boundary, a…Q. Li, Y. Yu, Kai H. Luo·Aug 13, 2019SaveLearn
Reaction coordinates and rate constants for liquid droplet nucleation: quantifying the interplay between driving force and memoryIn this work we revisit the classic problem of homogeneous nucleation of a liquid droplet in a supersaturated vapor phase. We consider this at different extents of the driving force, which here is…Sun-Ting Tsai, Zachary Smith, Pratyush Tiwary·Aug 13, 2019SaveLearn
A review on Deep Reinforcement Learning for Fluid MechanicsDeep reinforcement learning (DRL) has recently been adopted in a wide range of physics and engineering domains for its ability to solve decision-making problems that were previously out of reach due…Paul Garnier, Jonathan Viquerat, Jean Rabault et al.·Aug 12, 2019SaveLearn
Advances in electron backscatter diffractionWe present a few recent developments in the field of electron backscatter diffraction (EBSD). We highlight how open source algorithms and open data formats can be used to rapidly to develop…Alex Foden, Alessandro Previero, Thomas Benjamin Britton·Aug 12, 2019SaveLearn
Enabling Simulation of High-Dimensional Micro-Macro Biophysical Models through Hybrid CPU and Multi-GPU ParallelismMicro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking…Steven Cook, Tamar Shinar·Aug 12, 2019SaveLearn
An implicit P -multigrid flux reconstruction method for simulation of locally preconditioned unsteady Navier-Stokes equations at low Mach numbersWe develop a P -multigrid solver to simulate locally preconditioned unsteady compressible Navier-Stokes equations at low Mach numbers with implicit high-order methods. Specifically, the high-order…Lai Wang, Meilin Yu·Aug 11, 2019SaveLearn
Predicting Critical Transitions in Multiscale Dynamical Systems Using Reservoir ComputingWe study the problem of predicting rare critical transition events for a class of slow-fast nonlinear dynamical systems. The state of the system of interest is described by a slow process, whereas a…Soon Hoe Lim, Ludovico Theo Giorgini, Woosok Moon et al.·Aug 10, 2019SaveLearn
Improved Coupling of Hydrodynamics and Nuclear Reactions via Spectral Deferred CorrectionsSimulations in stellar astrophysics involve the coupling of hydrodynamics and nuclear reactions under a wide variety of conditions, from simmering convective flows to explosive nucleosynthesis.…M. Zingale, M. P. Katz, J. B. Bell et al.·Aug 10, 2019SaveLearn
Iterative optimization of photonic crystal nanocavity designs by using deep neural networksDevices based on two-dimensional photonic-crystal (2D-PC) nanocavities, which are defined by their air hole patterns, usually require a high quality (Q) factor to achieve high performance. We…Takashi Asano, Susumu Noda·Aug 10, 2019SaveLearn
Learning physics-based reduced-order models for a single-injector combustion processThis paper presents a physics-based data-driven method to learn predictive reduced-order models (ROMs) from high-fidelity simulations, and illustrates it in the challenging context of a…Renee Swischuk, Boris Kramer, Cheng Huang et al.·Aug 9, 2019SaveLearn
MAESTROeX: A Massively Parallel Low Mach Number Astrophysical SolverWe present MAESTROeX, a massively parallel solver for low Mach number astrophysical flows. The underlying low Mach number equation set allows for efficient, long-time integration for highly subsonic…Duoming Fan, Andrew Nonaka, Ann S. Almgren et al.·Aug 9, 2019SaveLearn
An Adaptive ALE Scheme for Non-Ideal Compressible-Fluid Dynamics over Dynamic Unstructured MeshesThis paper investigates the application of mesh adaptation techniques in the Non-Ideal Compressible Fluid Dynamic (NICFD) regime, a region near the vapor-liquid saturation curve where the flow…Barbara Re, Alberto Guardone·Aug 9, 2019SaveLearn
Efficient implementation of Cluster Expansion models in surface Kinetic Monte Carlo simulations with lateral interactions: Subtraction Schemes, Supersites and the Supercluster ContractionWhile lateral interaction models for reactions at surfaces have steadily gained popularity and grown in terms of complexity, their use in chemical kinetics has been impeded by the low performance of…Franziska Hess·Aug 9, 2019SaveLearn
Efficient Simulation of Fluid Flow and Transport in Heterogeneous Media Using Graphics Processing Units (GPUs)Networks of interconnected resistors, springs and beams, or pores are standard models of studying scalar and vector transport processes in heterogeneous materials and media, such as fluid flow in…Hassan Dashtian, Muhammad Sahimi·Aug 9, 2019SaveLearn
LBfoam: An open-source software package for the simulation of foaming using the Lattice Boltzmann MethodThis paper presents a 2D/3D Free Surface Lattice Boltzmann Method simulation package called LBfoam for the simulation of foaming processes. The model incorporates the essential physics of foaming…Mohammadmehdi Ataei, Vahid Shaayegan, Franco Costa et al.·Aug 8, 2019SaveLearn
Prediction of C7N6 and C9N4: Stable and strong porous carbon-nitride nanosheets with attractive electronic and optical propertiesIn this work, three novel porous carbon-nitride nanosheets with C7N6, C9N4 and C10N3 stoichiometries are predicted. First-principles simulations were accordingly employed to evaluate stability and…Bohayra Mortazavi, Masoud Shahrokhi, Alexander V Shapeev et al.·Aug 8, 2019SaveLearn