Surrogate Modeling for Fluid Flows Based on Physics-Constrained Deep Learning Without Simulation DataNumerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by…Luning Sun, Han Gao, Shaowu Pan et al.·Jun 6, 2019SaveLearn
Acceleration of Radiation Transport Solves Using Artificial Neural NetworksDiscontinuous Finite Element Methods (DFEM) have been widely used for solving Sn radiation transport problems in participative and non-participative media. In the DFEM Sn methodology, the…Mauricio Tano, Jean Ragusa·Jun 6, 2019SaveLearn
Topology optimization of unsaturated flows in multi-material porous media: application to a simple diaper modelWe present a mathematical approach to optimize the material distribution for fluid transport in unsaturated porous media. Our benchmark problem is a simplified diaper model as an exemplary liquid…Fabian Wein, Nan Chen, Naveed Iqbal et al.·Jun 6, 2019SaveLearn
Learning to regularize with a variational autoencoder for hydrologic inverse analysisInverse problems often involve matching observational data using a physical model that takes a large number of parameters as input. These problems tend to be under-constrained and require…Daniel O'Malley, John K. Golden, Velimir V. Vesselinov·Jun 6, 2019SaveLearn
Predicting Compressive Strength of Consolidated Molecular Solids Using Computer Vision and Deep LearningWe explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to…Brian Gallagher, Matthew Rever, Donald Loveland et al.·Jun 5, 2019SaveLearn
An ALE-type discrete unified gas kinetic scheme for low-speed continuum and rarefied flow simulations with moving boundariesIn this paper, the original discrete unified gas kinetic scheme (DUGKS) is extended to arbitrary Lagrangian-Eulerian (ALE) framework for simulating the low-speed continuum and rarefied flows with…Yong Wan, Chengwen Zhong·Jun 5, 2019SaveLearn
Advanced analytical method based on Green's theorem for light transmission through subwavelength structures of multiple configurations in metal filmsNowadays, methods for analyzing light transmission through subwavelength structures are typically based on the mode expansion with Fourier series. However, these methods require sophisticated…Jian-Shiung Hong, Kuan-Ren Chen·Jun 5, 2019SaveLearn
Generalised Multi-Rate Models for conjugate transfer in heterogeneous materialsWe propose a novel macroscopic model for conjugate heat and mass transfer between a mobile region, where advective transport is significant, and a set of immobile regions where…Federico Municchi, Matteo Icardi·Jun 4, 2019SaveLearn
Geometrical MoM formulation for eigenmode analysisThe resonant frequencies of a structure and the associated field distributions are generally determined by solving a non-linear eigenvalue problem. Using frequency-domain solvers, the response of the…Denis Tihon, Christophe Craeye·Jun 4, 2019SaveLearn
Adaptive activation functions accelerate convergence in deep and physics-informed neural networksWe employ adaptive activation functions for regression in deep and physics-informed neural networks (PINNs) to approximate smooth and discontinuous functions as well as solutions of linear and…Ameya D. Jagtap, George Em Karniadakis·Jun 4, 2019SaveLearn
Efficient high order accurate staggered semi-implicit discontinuous Galerkin methods for natural convection problemsWe propose a new family of high order staggered semi-implicit discontinuous Galerkin (DG) methods for the simulation of natural convection problems. Assuming small temperature fluctuations, the…Saray Busto, Maurizio Tavelli, Walter Boscheri et al.·Jun 3, 2019SaveLearn
The Fermion Sign Problem in Path Integral Monte Carlo Simulations: Quantum Dots, Ultracold Atoms, and Warm Dense MatterThe ab initio thermodynamic simulation of correlated Fermi systems is of central importance for many applications, such as warm dense matter, electrons in quantum dots, and ultracold atoms.…Tobias Dornheim·Jun 3, 2019SaveLearn
Large-scale Inversion of Subsurface Flow Using Discrete Adjoint MethodSensitivity analysis plays an important role in searching for constitutive parameters (e.g. permeability) subsurface flow simulations. The mathematics behind is to solve a dynamic constrained…Shu Wang, Satish Karra, Daniel O'Malley·Jun 3, 2019SaveLearn
A new nonlocal forward model for diffuse optical tomographyThe forward model in diffuse optical tomography (DOT) describes how light propagates through a turbid medium. It is often approximated by a diffusion equation (DE) that is numerically discretized by…Wenqi Lu, Jinming Duan, Joshua Deepak Veesa et al.·Jun 3, 2019SaveLearn
A hybrid particle volume-of-fluid method for curvature estimation in multiphase flowsWe present a particle method for estimating the curvature of interfaces in volume-of-fluid simulations of multiphase flows. The method is well suited for under-resolved interfaces, and it is shown to…Petr Karnakov, Sergey Litvinov, Petros Koumoutsakos·Jun 2, 2019SaveLearn
Making Birth-Death Processes from Backward Fokker-Planck Equations for Computing Expectations in Langevin SystemsA method to direct evaluation of expectations for Langevin systems (stochastic differential equations) is proposed. The method is based on a birth-death process which is derived using combinations of…Jun Ohkubo·Jun 1, 2019SaveLearn
High Thermoelectric Performance in Two-Dimensional Tellurium: An Ab Initio StudyIn 2016, bulk tellurium was experimentally observed as a remarkable thermoelectric material. Recently, two-dimensional (2D) tellurium, called tellurene, has been synthesized and has exhibited…Zhibin Gao, Gang Liu, Jie Ren·Jun 1, 2019SaveLearn
Ultralow lattice thermal conductivity and electronic properties of monolayer 1T phase semimetal SiTe2 and SnTe22H phase (trigonal prismatic D3h) of layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted a lot of interests due to the superior electronic and optoelectronic…Yi Wang, Zhibin Gao, Jun Zhou·Jun 1, 2019SaveLearn
Nonlinear phase coupling functions: a numerical studyPhase reduction is a general tool widely used to describe forced and interacting self-sustained oscillators. Here we explore the phase coupling functions beyond the usual first-order approximation in…M. Rosenblum, A. Pikovsky·May 31, 2019SaveLearn
Coexistence of polar displacements and conduction in doped ferroelectrics: an ab initio comparative studyPolar metals are rare because free carriers in metals screen electrostatic potential and eliminate internal dipoles. Degenerate doped ferroelectrics may create an approximate polar metallic phase. We…Chengliang Xia, Yue Chen, Hanghui Chen·May 31, 2019SaveLearn
Pass-efficient methods for compression of high-dimensional turbulent flow dataThe future of high-performance computing, specifically on future Exascale computers, will presumably see memory capacity and bandwidth fail to keep pace with data generated, for instance, from…Alec M. Dunton, Lluís Jofre, Gianluca Iaccarino et al.·May 30, 2019SaveLearn
An efficient method for solving highly oscillatory ordinary differential equations with applications to physical systemsWe present a novel numerical routine (oscode) with a C++ and Python interface for the efficient solution of one-dimensional, second-order, ordinary differential equations with rapidly oscillating…F. J. Agocs, W. J. Handley, A. N. Lasenby et al.·May 30, 2019SaveLearn
An all-at-once Newton strategy for methane hydrate reservoir modelsMarine gas hydrate systems are characterized by highly dynamic transport-reaction processes in an essentially water-saturated porous medium that are coupled to thermodynamic phase transitions between…Shubhangi Gupta, Barbara Wohlmuth, Matthias Haeckel·May 30, 2019SaveLearn
Generalized lattice Boltzmann method: Modeling, analysis, and elementsIn this paper, we first present a unified framework for the modelling of generalized lattice Boltzmann method (GLBM). We then conduct a comparison of the four popular analysis methods (Chapman-Enskog…Zhenhua Chai, Baochang Shi·May 30, 2019SaveLearn
Compact Formulae for Three-Center Nuclear Attraction Integrals Over Exponential Type FunctionsIn any ab initio molecular orbital (MO) calculations, the major task involves the computation of the so-called molecular multi-center integrals. Multi-center integral calculations is a very…Richard M. Slevinsky, Hassan Safouhi·May 29, 2019SaveLearn