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Computational Physics papers — page 214

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The hardwall method of solving the radial Schrödinger equation and unmasking hidden symmetries
Solving for the bound state eigenvalues of the Schrödinger equation is a tedious iterative process when the conventional shooting or matching method is used. In this work, we bypass the…
Siu A. Chin, John MasseyJan 29, 2019
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Dense Fiber Modeling for 3D-Polarized Light Imaging Simulations
3D-Polarized Light Imaging (3D-PLI) is a neuroimaging technique used to study the structural connectivity of the human brain at the meso- and microscale. In 3D-PLI, the complex nerve fiber…
Felix Matuschke, Kévin Ginsburger, Cyril Poupon et al.Jan 29, 2019
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Acceleration of the NVT-flash calculation for multicomponent mixtures using deep neural network models
Phase equilibrium calculation, also known as flash calculation, has been extensively applied in petroleum engineering, not only as a standalone application for separation process but also an integral…
Yiteng Li, Tao Zhang, Shuyu SunJan 27, 2019
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Data-driven acceleration of Photonic Simulations
Designing modern photonic devices often involves traversing a large parameter space via an optimization procedure, gradient based or otherwise, and typically results in the designer performing…
Rahul Trivedi, Logan Su, Jesse Lu et al.Jan 26, 2019
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Fast Neural Network Predictions from Constrained Aerodynamics Datasets
Incorporating computational fluid dynamics in the design process of jets, spacecraft, or gas turbine engines is often challenged by the required computational resources and simulation time, which…
Cristina White, Daniela Ushizima, Charbel FarhatJan 26, 2019
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NCrystal : a library for thermal neutron transport
An open source software package for modelling thermal neutron transport is presented. The code facilitates Monte Carlo-based transport simulations and focuses in the initial release on interactions…
Xiao-Xiao Cai, Thomas KittelmannJan 25, 2019
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Phase demodulation with iterative Hilbert transform embeddings
We propose an efficient method for demodulation of phase modulated signals via iterated Hilbert transform embeddings. We show that while a usual approach based on one application of the Hilbert…
Erik Gengel, Arkady PikovskyJan 25, 2019
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A Coupled Two-relaxation-time Lattice Boltzmann-Volume Penalization method for Flows Past Obstacles
In this article, a coupled Two-relaxation-time Lattice Boltzmann-Volume penalization (TRT-LBM-VP) method is presented to simulate flows past obstacles. Two relaxation times are used in the collision…
Xiongwei Cui, Zhikai Wang, Xiongliang Yao et al.Jan 25, 2019
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A spatially adaptive high-order meshless method for fluid-structure interactions
We present a scheme implementing an a posteriori refinement strategy in the context of a high-order meshless method for problems involving point singularities and fluid-solid interfaces. The…
Wei Hu, Nathaniel Trask, Xiaozhe Hu et al.Jan 25, 2019
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A fourth-order accurate compact difference scheme for solving the three-dimensional Poisson equation with arbitrary boundaries
This paper presents an efficient high-order sharp-interface method for solving the three-dimensional (3D) Poisson equation with Dirichlet boundary conditions on a nonuniform Cartesian grid with…
Shirzad Hosseinverdi, Hermann F. FaselJan 24, 2019
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Notes: An assessment of some closed-form expressions for the Voigt function III: Combinations of the Lorentz and Gauss functions
A variety of "pseudo-Voigt" functions, i.e. a linear combination of the Lorentz and Gauss function (occasionally augmented with a correction term), have been proposed as a closed-form…
Franz SchreierJan 24, 2019
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Homogenization based two-scale modelling of ionic transport in fluid saturated deformable porous media
The paper deals with the homogenization of deformable porous media saturated by two-component electrolytes. The model relevant to the microscopic scale describes steady states of the medium while…
Jana Turjanicová, Eduard Rohan, Vladimír LukešJan 24, 2019
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Betaboltz: a Monte-Carlo simulation tool for gas scattering processes
We present an open-source code for the simulation of electron and ion transport for user-defined gas mixtures with static uniform electric and magnetic fields. The program provides microscopic…
Michele Renda, Dan Andrei Ciubotaru, Calin Iulian BanuJan 23, 2019
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Quantized bounding volume hierarchies for neighbor search in molecular simulations on graphics processing units
We present an algorithm for neighbor search in molecular simulations on graphics processing units (GPUs) based on bounding volume hierarchies (BVHs). The BVH is compressed into a low-precision,…
Michael P. Howard, Antonia Statt, Felix Madutsa et al.Jan 23, 2019
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Subdomain POD-TPWL with Local Parameterization for Large-Scale Reservoir History Matching Problems
We have recently proposed an efficient subdomain POD-TPWL (Xiao et al, 2018) for history matching without the need of model intrusion. From a computational point of view, a local parameterization…
Cong Xiao, Olwijn Leeuwenburgh, Hai Xiang Lin et al.Jan 23, 2019
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Performance of preconditioned iterative linear solvers for cardiovascular simulations in rigid and deformable vessels
Computing the solution of linear systems of equations is invariably the most time consuming task in the numerical solutions of PDEs in many fields of computational science. In this study, we focus on…
Jongmin Seo, Daniele E. Schiavazzi, Alison L. MarsdenJan 21, 2019
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Calculation of the electromagnetic scattering by non-spherical particles based on the volume integral equation in the spherical wave function basis
The paper presents a method for calculation of non-spherical particle T-matrices based on the volume integral equation and the spherical vector wave function basis, and relies on the Generalized…
Alexey A. ShcherbakovJan 21, 2019
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Transport Properties of Water Confined in a Graphene Nanochannel
Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt…
Frederike Jaeger, Omar K. Matar, Erich A. MüllerJan 21, 2019
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Efficient Tsunami Modeling on Adaptive Grids with Graphics Processing Units (GPUs)
Solving the shallow water equations efficiently is critical to the study of natural hazards induced by tsunami and storm surge, since it provides more response time in an early warning system and…
Xinsheng Qin, Randall LeVeque, Michael MotleyJan 21, 2019
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Accelerated scale bridging with sparsely approximated Gaussian learning
Multiscale modeling is a systematic approach to describe the behavior of complex systems by coupling models from different scales. The approach has been demonstrated to be very effective in areas of…
Ting Wang, Kenneth W. Leiter, Petr Plechac et al.Jan 21, 2019
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Self-Consistent Density-Functional Embedding: a Novel Approach for Density-Functional Approximations
In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets…
Uliana Mordovina, Teresa E. Reinhard, Iris Theophilou et al.Jan 18, 2019
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Physics-Constrained Deep Learning for High-dimensional Surrogate Modeling and Uncertainty Quantification without Labeled Data
Surrogate modeling and uncertainty quantification tasks for PDE systems are most often considered as supervised learning problems where input and output data pairs are used for training. The…
Yinhao Zhu, Nicholas Zabaras, Phaedon-Stelios Koutsourelakis et al.Jan 18, 2019
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Image theory for a sphere with negative permittivity
An image system for a point charge outside a dielectric sphere is presented for all complex values of relative permittivity ε=ε'+iε''. The standard image integral solution of a point…
Matt MajicJan 17, 2019
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Solution of the Generalized Linear Boltzmann Equation for Transport in Multidimensional Stochastic Media
The generalized linear Boltzmann equation (GLBE) is a recently developed framework based on non-classical transport theory for modeling the expected value of particle flux in an arbitrary stochastic…
Ari FrankelJan 17, 2019
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On the Finite Element Implementation of Functionally Graded Materials
We investigate the numerical implementation of functionally graded properties in the context of the finite element method. The macroscopic variation of elastic properties inherent to functionally…
Emilio Martínez-PañedaJan 17, 2019
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