Interface learning of multiphysics and multiscale systemsComplex natural or engineered systems comprise multiple characteristic scales, multiple spatiotemporal domains, and even multiple physical closure laws. To address such challenges, we introduce an…Shady E. Ahmed, Omer San, Kursat Kara et al.·Jun 17, 2020SaveLearn
Comment on "Improvements for drift-diffusion plasma fluid models with explicit time integration"Recently, J. Teunissen reported a fully explicit method, namely the current-limit approach, which claimed to overcome the dielectric relaxation time restriction for the drift-diffusion plasma fluid…Jiayong Zou·Jun 17, 2020SaveLearn
Special unitary particle pusher for extreme fieldsAn exact momentum update useful for particle codes was previously given. The expressions involved were unwieldy. By treating the momentum as a representation of SU(2)xSU(2) instead of SO(3,1), a more…Daniel Gordon, Bahman Hafizi·Jun 17, 2020SaveLearn
A parallel hybrid implementation of the 2D acoustic wave equationIn this paper, we propose a hybrid parallel programming approach for a numerical solution of a two-dimensional acoustic wave equation using an implicit difference scheme for a single computer. The…Arshyn Altybay, Michael Ruzhansky, Niyaz Tokmagambetov·Jun 17, 2020SaveLearn
Heterogeneous partition of cellular blood-borne nanoparticles through microvascular bifurcationsBlood flowing through microvascular bifurcations has been an active research topic for many decades, while the partitioning pattern of nanoscale solutes in the blood remains relatively unexplored.…Zixiang L. Liu, Jonathan R. Clausen, Justin L. Wagner et al.·Jun 17, 2020SaveLearn
FLUPS: a Fourier-based Library of Unbounded Poisson SolversA Fourier-based Library of Unbounded Poisson Solvers (FLUPS) for 2D and 3D homogeneous distributed grids is presented. It is designed to handle every possible combination of periodic, symmetric,…Denis-Gabriel Caprace, Thomas Gillis, Philippe Chatelain·Jun 16, 2020SaveLearn
Pressure control using stochastic cell rescalingMolecular dynamics simulations require barostats to be performed at constant pressure. The usual recipe is to employ the Berendsen barostat first, which displays a first-order volume relaxation…Mattia Bernetti, Giovanni Bussi·Jun 16, 2020SaveLearn
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACSThe introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude performance advances…Szilárd Páll, Artem Zhmurov, Paul Bauer et al.·Jun 16, 2020SaveLearn
Data assimilation empowered neural network parameterizations for subgrid processes in geophysical flowsIn the past couple of years, there is a proliferation in the use of machine learning approaches to represent subgrid scale processes in geophysical flows with an aim to improve the forecasting…Suraj Pawar, Omer San·Jun 16, 2020SaveLearn
An encoder-decoder deep surrogate for reverse time migration in seismic imaging under uncertaintySeismic imaging faces challenges due to the presence of several uncertainty sources. Uncertainties exist in data measurements, source positioning, and subsurface geophysical properties. Reverse time…Rodolfo S. M. Freitas, Carlos H. S. Barbosa, Gabriel M. Guerra et al.·Jun 16, 2020SaveLearn
Iterative trajectory reweighting for estimation of equilibrium and non-equilibrium observablesWe present two algorithms by which a set of short, unbiased trajectories can be iteratively reweighted to obtain various observables. The first algorithm estimates the stationary (steady state)…John D. Russo, Jeremy Copperman, Daniel M. Zuckerman·Jun 16, 2020SaveLearn
The initial step towards JOREK integration in IMASJOREK is being adapted to work with the Integrated Modelling & Analysis Suite (IMAS) which is being actively developed and used by the ITER Organization, the EUROfusion community and other ITER…Dejan Penko, Leon Kos, Guido Huijsmans et al.·Jun 16, 2020SaveLearn
Acoustic prediction of flowrate: varying liquid jet stream onto a free surfaceInformation on liquid jet stream flow is crucial in many real world applications. In a large number of cases, these flows fall directly onto free surfaces (e.g. pools), creating a splash with…Balamurali B T, Edwin Jonathan Aslim, Yun Shu Lynn Ng et al.·Jun 16, 2020SaveLearn
Enhanced force-field calibration via machine learningThe influence of microscopic force fields on the motion of Brownian particles plays a fundamental role in a broad range of fields, including soft matter, biophysics, and active matter. Often, the…Aykut Argun, Tobias Thalheim, Stefano Bo et al.·Jun 16, 2020SaveLearn
Online Change Point Detection in Molecular Dynamics With Optical Random FeaturesProteins are made of atoms constantly fluctuating, but can occasionally undergo large-scale changes. Such transitions are of biological interest, linking the structure of a protein to its function…Amélie Chatelain, Elena Tommasone, Laurent Daudet et al.·Jun 15, 2020SaveLearn
Strategies for particle resampling in PIC simulationsIn particle-in-cell simulations, excessive or even unfeasible computational demands can be caused by the growth of the number of particles in the course of prolific ionization or cascaded pair…A. Muraviev, A. Bashinov, E. Efimenko et al.·Jun 15, 2020SaveLearn
Second Order Unconditional Positive Preserving Schemes for Non-equilibrium Reactive Flows with Mass and Mole BalanceIn this study, a family of second order process based modified Patankar Runge-Kutta schemes is proposed with both the mass and mole maintained in balance while preserving the positivity of density…Jianhua Pan, Yu-Yen Chen, Liang-Shih Fan·Jun 15, 2020SaveLearn
A Truncation Error Analysis of Third-Order MUSCL Scheme for Nonlinear Conservation LawsThis paper is a rebuttal to the claim found in the literature that the MUSCL scheme cannot be third-order accurate for nonlinear conservation laws. We provide a rigorous proof for third-order…Hiroaki Nishikawa·Jun 15, 2020SaveLearn
An open boundary condition for high-order solutions of magnetohydrodynamics on unstructured gridsIn this paper a characteristics-based open boundary condition (CBC) is proposed for the magnetohydrodynamic (MHD) system of equations. The algorithm is carefully designed and implemented in the…Xiaoliang Zhang, Chunlei Liang·Jun 15, 2020SaveLearn
Structural stability of Lattice Boltzmann schemesThe goal of this work is to determine classes of traveling solitary wave solutions for Lattice Boltzmann schemes by means of an hyperbolic ansatz. It is shown that spurious solitary waves can occur…Claire David, Pierre Sagaut·Jun 15, 2020SaveLearn
Transport coefficients of multi-component mixtures of noble gases based on ab initio potentials. Viscosity and thermal conductivityThe viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions,…Felix Sharipov, Victor J. Benites·Jun 15, 2020SaveLearn
A linear stability analysis of compressible hybrid lattice Boltzmann methodsAn original spectral study of the compressible hybrid lattice Boltzmann method (HLBM) on standard lattice is proposed. In this framework, the mass and momentum equations are addressed using the…Florian Renard, Gauthier Wissocq, Jean-François Boussuge et al.·Jun 15, 2020SaveLearn
Accelerating CFD simulation with high order finite difference method on curvilinear coordinates for modern GPU clustersA high fidelity flow simulation for complex geometries for high Reynolds number (Re) flow is still very challenging, which requires more powerful computational capability of HPC system. However,…Chuangchao Ye, Pengjunyi Zhang, Rui Yan et al.·Jun 14, 2020SaveLearn
Predictive modeling approaches in laser-based material processingPredictive modelling represents an emerging field that combines existing and novel methodologies aimed to rapidly understand physical mechanisms and concurrently develop new materials, processes and…Maria Christina Velli, George D. Tsibidis, Alexandros Mimidis et al.·Jun 13, 2020SaveLearn
A Finite Element Method for Electrowetting on DielectricWe consider the problem of electrowetting on dielectric (EWoD). The system involves the dynamics of a conducting droplet, which is immersed in another dielectric fluid, on a dielectric substrate…Quan Zhao, Weiqing Ren·Jun 13, 2020SaveLearn