Towards optimal high-order compact schemes for simulating compressible flowsWeighted compact nonlinear schemes (WCNS) [Deng and Zhang, JCP 165(2000): 22-44] were developed to improve the performance of the compact high-order nonlinear schemes (CNS) by utilizing the weighting…Huaibao Zhang, Fan Zhang, Chunguang Xu·Oct 16, 2018SaveLearn
Ehrenfest regularization of Hamiltonian systemsImagine a freely rotating rigid body. The body has three principal axes of rotation. It follows from mathematical analysis of the evolution equations that pure rotations around the major and minor…Michal Pavelka, Vaclav Klika, Miroslav Grmela·Oct 15, 2018SaveLearn
Variational Schemes and Geometric Simulations for a Hydrodynamic-Electrodynamic Model of Surface Plasmon PolaritonsA class of variational schemes for the hydrodynamic-electrodynamic model of lossless free-electron gas in a quasineutral background is developed for high-quality simulations of surface plasmon…Qiang Chen, Lifei Geng, Xiang Chen et al.·Oct 15, 2018SaveLearn
Suppression of Overfitting in Extraction of Spectral Data from Imaginary Frequency Green Function Using Maximum Entropy MethodAlthough maximum entropy method (maxEnt method) is currently the standard algorithm for extracting real frequency information from imaginary frequency Green function, still this method is beset with…Enzhi Li·Oct 15, 2018SaveLearn
A structural modeling approach to solid solutions based on the similar atomic environmentSolid solution is an important way to enhance the structural and functional performances of materials. In this work, we develop a structural modeling approach to solid solutions based on the similar…Fuyang Tian, De-Ye Lin, Xingyu Gao et al.·Oct 15, 2018SaveLearn
Coalescence of surfactant-laden drops by Phase Field MethodIn this work, we propose and test the validity of a modified Phase Field Method (PFM), which was specifically developed for large scale simulations of turbulent flows with large and deformable…Giovanni Soligo, Alessio Roccon, Alfredo Soldati·Oct 15, 2018SaveLearn
Time-dependent density functional theory for a unified description of ultrafast dynamics: pulsed light, electrons, and atoms in crystalline solidsWe have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular…Atsushi Yamada, Kazuhiro Yabana·Oct 15, 2018SaveLearn
Dual-support smoothed particle hydrodynamics in solid: variational principle and implicit formulationIn this paper, we derive the dual-support smoothed particle hydrodynamics (DS-SPH) in solid in the framework of variational principle. The tangent stiffness matrix of SPH is obtained with ease, which…Huilong Ren, Xiaoying Zhuang, Timon Rabczuk et al.·Oct 14, 2018SaveLearn
A Unified Gas-kinetic Particle Method for Multiscale Photon TransportIn this work, we present a unified gas-kinetic particle (UGKP) method for the simulation of multiscale photon transport. The multiscale nature of the particle method mainly comes from the recovery of…Weiming Li, Chang Liu, Yajun Zhu et al.·Oct 14, 2018SaveLearn
Burnett Spectral Method for the Spatially Homogeneous Boltzmann EquationWe develop a spectral method for the spatially homogeneous Boltzmann equation using Burnett polynomials in the basis functions. Using the sparsity of the coefficients in the expansion of the…Zhenning Cai, Yuwei Fan, Yanli Wang·Oct 13, 2018SaveLearn
Machine learning forces trained by Gaussian process in liquid states: Transferability to temperature and pressureWe study a generalization performance of the machine learning (ML) model to predict the atomic forces within the density functional theory (DFT). The targets are the Si and Ge single component…Ryo Tamura, Jianbo Lin, Tsuyoshi Miyazaki·Oct 12, 2018SaveLearn
Verification of Two-Dimensional Monte Carlo Ray-Trace Methodology in Radiation Heat Transfer AnalysisDespite the frequent appearance in the radiation heat transfer literature of articles describing Monte Carlo ray-trace (MCRT) applications to two-dimensional enclosures, no formal verification may be…Mehran Yarahmadi, J. Robert Mahan·Oct 11, 2018SaveLearn
Efficient estimation of autocorrelation spectraThe performance of Markov chain Monte Carlo calculations is determined by both ensemble variance of the Monte Carlo estimator and autocorrelation of the Markov process. In order to study…Markus Wallerberger·Oct 11, 2018SaveLearn
Lattice Boltzmann approach to rarefied gas flows using half-range Gauss-Hermite quadratures: Comparison to DSMC results based on ab initio potentialsIn this paper, we employ the lattice Boltzmann method to solve the Boltzmann equation with the Shakhov model for the collision integral in the context of the 3D planar Couette flow. The half-range…Victor E. Ambrus, Felix Sharipov, Victor Sofonea·Oct 11, 2018SaveLearn
WaveRange: Wavelet-based data compression for three-dimensional numerical simulations on regular gridsA wavelet-based method for compression of three-dimensional simulation data is presented and its software framework is described. It uses wavelet decomposition and subsequent range coding with…Dmitry Kolomenskiy, Ryo Onishi, Hitoshi Uehara·Oct 11, 2018SaveLearn
A phase-field model for large-density-ratio two-phase flows based on discrete unified gas-kinetic schemeIn this paper, a phase-field based model under the framework of discrete unified gas-kinetic scheme (DUGKS) for incompressible multiphase fluid flows is proposed. Two kinetic models are constructed…Zeren Yang, Chengwen Zhong, Congshan Zhuo·Oct 11, 2018SaveLearn
A Machine Learning Approach for Increased Throughput of Density Functional Theory Substitutional Alloy StudiesIn this study, a machine learning-based technique is developed to reduce the computational cost required to explore large design spaces of substitutional alloys. The first advancement is based on a…Alhassan S. Yasin, Terence D. Musho·Oct 10, 2018SaveLearn
Bayesian selection for coarse-grained models of liquid waterThe necessity for accurate and computationally efficient representations of water in atomistic simulations that can span biologically relevant timescales has born the necessity of coarse-grained (CG)…Julija Zavadlav, Georgios Arampatzis, Petros Koumoutsakos·Oct 10, 2018SaveLearn
A Complete Surface Integral Method for Broadband Modeling of 3D Interconnects in Stratified MediaA surface integral equation solver is proposed for fast and accurate simulation of interconnects embedded in stratified media. A novel technique for efficient computation of the multilayer…Shashwat Sharma, Utkarsh R. Patel, Sean V. Hum et al.·Oct 9, 2018SaveLearn
Modeling meso-scale energy localization in shocked HMX, Part I: machine- learned surrogate model for effect of loading and void sizeThis work presents the procedure for constructing a machine learned surrogate model for hotspot ignition and growth rates in pressed HMX materials. A Bayesian Kriging algorithm is used to assimilate…Anas Nassar, Nirmal K. Rai, Oishik Sen et al.·Oct 9, 2018SaveLearn
Simulation of unsteady blood flows in a patient-specific compliant pulmonary artery with a highly parallel monolithically coupled fluid-structure interaction algorithmComputational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for…Fande Kong, Vitaly Kheyfets, Ender Finol et al.·Oct 9, 2018SaveLearn
Adaptive SIMD optimizations in particle-in-cell codes with fine-grain particle sortingParticle-In-Cell (PIC) codes are broadly applied to the kinetic simulation of plasmas, from laser-matter interaction to astrophysics. Their heavy simulation cost can be mitigated by using the Single…Arnaud Beck, Julien Dérouillat, Mathieu Lobet et al.·Oct 9, 2018SaveLearn
Crossover between tricritical and Lifshitz points in pyrochlore FeF3Pyrochlore FeF3 (pyr-FeF3) is a Heisenberg anti-ferromagnetic (AF) with a magnetic susceptibility deviating from the Curie-Weiss law, even at the room temperature. This compound shows a…Mohammad Amirabbasi, Nafiseh Rezaei, Mojtaba Alaei et al.·Oct 8, 2018SaveLearn
The Biot-Darcy-Brinkman model of flow in deformable double porous media; homogenization and numerical modellingIn this paper we present the two-level homogenization of the flow in a deformable double-porous structure described at two characteristic scales. The higher level porosity associated with the…Eduard Rohan, Jana Turjanicová, Vladimír Lukeš·Oct 8, 2018SaveLearn
On the effect of stress dependent interparticle friction in direct shear testsContact friction is a key influence factor for the shearing behaviour of granular media. In the discrete element method (DEM) contact friction is usually modelled with Coulomb's law assuming a…Bettina Suhr, Klaus Six·Oct 8, 2018SaveLearn