Automatic transformation of irreducible representations for efficient contraction of tensors with cyclic group symmetryTensor contractions are ubiquitous in computational chemistry and physics, where tensors generally represent states or operators and contractions express the algebra of these quantities. In this…Yang Gao, Phillip Helms, Garnet Kin-Lic Chan et al.·Jul 16, 2020SaveLearn
Versatile Mixed Methods for Non-Isothermal Incompressible FlowsThe purpose of this paper is to extend the versatile mixed methods originally developed by Chen and Williams for isothermal flows in "Versatile Mixed Methods for the Incompressible Navier-Stokes…Edward A. Miller, Xi Chen, David M. Williams·Jul 16, 2020SaveLearn
The MLIP package: Moment Tensor Potentials with MPI and Active LearningThe subject of this paper is the technology (the "how") of constructing machine-learning interatomic potentials, rather than science (the "what" and "why") of atomistic…Ivan S. Novikov, Konstantin Gubaev, Evgeny V. Podryabinkin et al.·Jul 16, 2020SaveLearn
Accurately simulating nine-dimensional phase space of relativistic particles in strong fieldsNext-generation high-power lasers that can be focused to intensities exceeding 1023 W/cm2 are enabling new physics and applications. The physics of how these lasers interact with matter is highly…Fei Li, Viktor K. Decyk, Kyle G. Miller et al.·Jul 15, 2020SaveLearn
Machine learning on the electron-boson mechanism in superconductorsTo unravel pairing mechanism of a superconductor from limited, indirect experimental data is always a difficult task. It is common but sometimes dubious to explain by a theoretical model with some…Wan-Ju Li, Ming-Chien Hsu, Shin-Ming Huang·Jul 15, 2020SaveLearn
A Method for Representing Periodic Functions and Enforcing Exactly Periodic Boundary Conditions with Deep Neural NetworksWe present a simple and effective method for representing periodic functions and enforcing exactly the periodic boundary conditions for solving differential equations with deep neural networks (DNN).…Suchuan Dong, Naxian Ni·Jul 15, 2020SaveLearn
A high order kinetic flow solver based on flux reconstruction frameworkThe goal of this paper is to develop a high order numerical method based on Kinetic Inviscid Flux (KIF) method and Flux Reconstruction (FR) framework. The KIF aims to find a balance between the…Ji Li, Chengwen Zhong, Sha Liu·Jul 15, 2020SaveLearn
SLIM: A Well-Conditioned Single-Source Boundary Element Method for Modeling Lossy Conductors in Layered MediaThe boundary element method (BEM) enables the efficient electromagnetic modelling of lossy conductors with a surface-based discretization. Existing BEM techniques for conductor modelling require…Shashwat Sharma, Piero Triverio·Jul 14, 2020SaveLearn
Inferring Hidden Symmetries of Exotic Magnets from Detecting Explicit Order ParametersAn unconventional magnet may be mapped onto a simple ferromagnet by the existence of a high-symmetry point. Knowledge of conventional ferromagnetic systems may then be carried over to provide insight…Nihal Rao, Ke Liu, Lode Pollet·Jul 14, 2020SaveLearn
Accelerating the identification of informative reduced representations of proteins with deep learning for graphsThe limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number…Federico Errica, Marco Giulini, Davide Bacciu et al.·Jul 14, 2020SaveLearn
Performance evaluation of high-order reconstruction for discrete unified gas-kinetics scheme in tracking fluid interfacesWith a noticeable increase in research centered on modeling micro fluid interfaces in the framework of mesoscopic methods, we conduct an exhaustive study of discrete unified gas-kinetics scheme…Zeren Yand, Chengwen Zhong, Congshan Zhuo·Jul 14, 2020SaveLearn
A new paradigm of dissipation-controllable, multi-scale resolving schemes for compressible flowsThe scale-resolving simulation of high speed compressible flow through direct numerical simulation (DNS) or large eddy simulation (LES) requires shock-capturing schemes to be more accurate for…Xi Deng, Zhen-hua Jiang, Peter Vincent et al.·Jul 14, 2020SaveLearn
An Uncertainty-Quantification Framework for Assessing Accuracy, Sensitivity, and Robustness in Computational Fluid DynamicsA framework is developed based on different uncertainty quantification (UQ) techniques in order to assess validation and verification (V&V) metrics in computational physics problems, in general, and…Saleh Rezaeiravesh, Ricardo Vinuesa, Philipp Schlatter·Jul 14, 2020SaveLearn
Subgrid-scale parametrization of unresolved scales in forced Burgers equation using Generative Adversarial Networks (GAN)Stochastic subgrid-scale parametrizations aim to incorporate effects of unresolved processes in an effective model by sampling from a distribution usually described in terms of resolved modes. This…Jeric Alcala, Ilya Timofeyev·Jul 13, 2020SaveLearn
Computational General Relativistic Force-Free Electrodynamics: II. Characterization of Numerical DiffusivityScientific codes are an indispensable link between theory and experiment; in (astro-)plasma physics, such numerical tools are one window into the universe's most extreme flows of energy. The…J. F. Mahlmann, M. A. Aloy, V. Mewes et al.·Jul 13, 2020SaveLearn
Computational General Relativistic Force-Free Electrodynamics: I. Multi-Coordinate Implementation and TestingGeneral relativistic force-free electrodynamics is one possible plasma-limit employed to analyze energetic outflows in which strong magnetic fields are dominant over all inertial phenomena. The…J. F. Mahlmann, M. A. Aloy, V. Mewes et al.·Jul 13, 2020SaveLearn
On the full-waveform inversion of seismic moment tensorsIn this work, we propose a full-waveform technique for the spatial reconstruction and characterization of (micro-) seismic events via joint source location and moment tensor inversion. The approach…Alan A. S. Amad, Antonio A. Novotny, Bojan B. Guzina·Jul 13, 2020SaveLearn
Modelling and Simulation of Heterogeneous Reactions with Statistical Particle MethodsEstimating the heat loads on re-entry vehicles is a crucial part of preparing for atmospheric re-entry manoeuvres. Re-entry flows at high altitudes are in the rarefied regime and are governed by high…Wladimir Reschke, Marcel Pfeiffer, Stefanos Fasoulas·Jul 13, 2020SaveLearn
New algorithm of cuff-tissue-artery system modeled as the space axisymmetric problemIn this paper, mathematical models for cuff-tissue-artery system are developed and simplified into an axisymmetric problem in space. It is nonlinear properties of cuff and artery wall that make it…Jiacheng Xu, Dan Hu·Jul 13, 2020SaveLearn
Transferable Potential Function for Flexible H2O Molecules Based on the Single Center Multipole ExpansionA potential function is presented for describing a system of flexible H2O molecules based on the single center multipole expansion (SCME) of the electrostatic interaction. The model, referred to…Elvar Örn Jónsson, Soroush Rasti, Marta Galynska et al.·Jul 12, 2020SaveLearn
A simplified discrete unified gas kinetic scheme for incompressible flowThe discrete unified gas kinetic scheme (DUGKS) is a new finite volume (FV) scheme for continuum and rarefied flows which combines the benefits of both Lattice Boltzmann Method (LBM) and unified gas…Mingliang Zhong, Sen Zou, Dongxin Pan et al.·Jul 12, 2020SaveLearn
A quasi-conservative discontinuous Galerkin method for multi-component flows using the non-oscillatory kinetic fluxIn this paper, a high order quasi-conservative discontinuous Galerkin (DG) method using the non-oscillatory kinetic flux is proposed for the 5-equation model of compressible multi-component flows…Dongmi Luo, Jianxian Qiu, Jun Zhu et al.·Jul 12, 2020SaveLearn
Positivity-preserving hybrid DG/FV method for compressible Euler equations with stiff source termsIn numerical simulations of complex fluid dynamical problems, unphysical negative density or pressure may appear, causing blow-up of the computation. With the aim of obtaining positivity-preserving…Zhen-Hua Jiang, Xi Deng, Lin-Tao Huang et al.·Jul 11, 2020SaveLearn
Beyond moments: relativistic Lattice-Boltzmann methods for radiative transport in computational astrophysicsWe present a new method for the numerical solution of the radiative-transfer equation (RTE) in multidimensional scenarios commonly encountered in computational astrophysics. The method is based on…L. R. Weih, A. Gabbana, D. Simeoni et al.·Jul 11, 2020SaveLearn
Deep Surrogate Models for Multi-dimensional Regression of Reactor PowerThere is renewed interest in developing small modular reactors and micro-reactors. Innovation is necessary in both construction and operation methods of these reactors to be financially attractive.…Akshay J. Dave, Jarod Wilson, Kaichao Sun·Jul 10, 2020SaveLearn