Stable anisotropic heat conduction in smoothed particle hydrodynamicsWe investigate how to simulate anisotropic heat conduction in a stable manner in Smoothed Particle Hydrodynamics. We show that the requirement for stability is that entropy must increase. From this,…Sergei Biriukov, Daniel J. Price·Dec 10, 2018SaveLearn
ProIO: An Event-Based I/O Stream Format for Protobuf MessagesProIO is a new event-oriented streaming data format which utilizes Google's Protocol Buffers (protobuf) to be flexible and highly language-neutral. The ProIO concept is described here along with…D. Blyth, J. Alcaraz, S. Binet et al.·Dec 10, 2018SaveLearn
On Architecture and Performance of Adaptive Mesh Refinement in an Electrostatics Particle-In-Cell CodeThis article presents a hardware architecture independent implementation of an adaptive mesh refinement Poisson solver that is integrated into the electrostatic Particle-In-Cell beam dynamics code…Matthias Frey, Andreas Adelmann, Uldis Locans·Dec 10, 2018SaveLearn
Semi-conservative reduced speed of sound technique for low Mach number flows with large density variationsThe reduced speed of sound technique (RSST) has been used for efficient simulation of low Mach number flows in solar and stellar convection zones. The basic RSST equations are hyperbolic, and are…H. Iijima, H. Hotta, S. Imada·Dec 10, 2018SaveLearn
Adaptive spectral solution method for the Landau and Lenard-Balescu equationsWe present an adaptive spectral method for solving the Landau/Fokker-Planck equation for electron-ion systems. The heart of the algorithm is an expansion in Laguerre polynomials, which has several…Christian R. Scullard, Abigail Hickok, Justyna O. Sotiris et al.·Dec 10, 2018SaveLearn
FDTD simulation algorithm of magnetized plasma mediaA technique of magnetized plasma simulation have been implemented into a well known FDTD solver MEEP as a child class of "susceptibility" class. Magnetized plasma posses gyrotrophic…Aleksandr Friman·Dec 10, 2018SaveLearn
A Parallel Time-Integrator for Solving the Linearized Shallow Water Equations on the Rotating SphereWith the stagnation of processor core performance, further reductions in the time-to-solution for geophysical fluid problems are becoming increasingly difficult with standard time integrators.…Martin Schreiber, Richard Loft·Dec 9, 2018SaveLearn
Instanton based importance sampling for rare events in stochastic PDEsWe present a new method for sampling rare and large fluctuations in a non-equilibrium system governed by a stochastic partial differential equation (SPDE) with additive forcing. To this end, we…Lasse Ebener, Georgios Margazoglou, Jan Friedrich et al.·Dec 9, 2018SaveLearn
A full electromagnetic Particle-In-Cell code to model collisionless plasmas in magnetic trapsA lot of plasma physics problems are not amenable to exact solutions due to many reasons. It is worth mentioning among them, for example, nonlinearity of the motion equations, variable coefficients…Alex Estupiñán, E. A. Orozco, V. D. Dugar-Zhabon et al.·Dec 8, 2018SaveLearn
Stability and metallization of solid oxygen under high pressureThe phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the P63/mmc symmetry…S. F. Elatresh, S. A. Bonev·Dec 7, 2018SaveLearn
Modal Tracking Based on Group TheoryIssues in modal tracking in the presence of crossings and crossing avoidances between eigenvalue traces are solved via the theory of point groups. The von Neumann-Wigner theorem is used as a key…Michal Masek, Miloslav Capek, Lukas Jelinek et al.·Dec 7, 2018SaveLearn
Moment tensor Potentials as a Promising Tool to Study Diffusion ProcessesA recently proposed class of machine-learning interatomic potentials --- Moment tensor potentials (MTPs) --- is investigated in this work. MTPs are able to actively select configurations and…I. I. Novoselov, A. V. Yanilkin, A. V. Shapeev et al.·Dec 7, 2018SaveLearn
Periodic three-body orbits in the Coulomb potentialWe numerically discovered around 100 distinct nonrelativistic collisionless periodic three-body orbits in the Coulomb potential in vacuo, with vanishing angular momentum, for equal-mass ions with…Marija Šindik, Ayumu Sugita, Milovan Šuvakov et al.·Dec 7, 2018SaveLearn
Formalizing Atom-typing and the Dissemination of Force Fields with FoyerA key component to enhancing reproducibility in the molecular simulation community is reducing ambiguity in the parameterization of molecular models. Ambiguity in molecular models often stems from…Christoph Klein, Andrew Z. Summers, Matthew W. Thompson et al.·Dec 7, 2018SaveLearn
Towards a priori uncertainty quantification in coarse-grained molecular dynamics: Generalized multipole potentialsIn computational materials science, coarse-graining approaches often lack a priori uncertainty quantification (UQ) tools that estimate the accuracy of a reduced-order model before it is calibrated or…Paul N. Patrone, Andrew M. Dienstfrey, Geoffrey B. McFadden·Dec 7, 2018SaveLearn
Comparison between Density Functional Theory and Density Functional Tight Binding approaches for finding the muon stopping site in organic molecular crystalsFinding the possible stopping sites for muons inside a crystalline sample is a key problem of muon spectroscopy. In a previous work, we suggested a computational approach to this problem, using…Simone Sturniolo, Leandro Liborio, Samuel Jackson·Dec 7, 2018SaveLearn
MAUS: The MICE Analysis User SoftwareThe Muon Ionization Cooling Experiment (MICE) collaboration has developed the MICE Analysis User Software (MAUS) to simulate and analyze experimental data. It serves as the primary codebase for the…R. Asfandiyarov, R. Bayes, V. Blackmore et al.·Dec 6, 2018SaveLearn
Near-Field Thermal Emission by Periodic ArraysNear-field thermal emission can be engineered by using periodic arrays of sub-wavelength emitters. The array thermal emission is dependent on the shape, size, and materials properties of the…Sheila Edalatpour·Dec 6, 2018SaveLearn
Fast Switch and Spline Scheme for Accurate Inversion of Nonlinear Functions: The New First Choice Solution to Kepler's EquationNumerically obtaining the inverse of a function is a common task for many scientific problems, often solved using a Newton iteration method. Here we describe an alternative scheme, based on switching…Daniele Tommasini, David N. Olivieri·Dec 5, 2018SaveLearn
Fully-Tensorial Elastic-Wave Mode-Solver in FEniCS for Stimulated Brillouin Scattering ModelingA framework for simulating the elastic-wave modes in waveguides, taking into account the full tensorial nature of the stiffness tensor, is presented and implemented in the open-source finite element…Marcin Malinowski, Sasan Fathpour·Dec 5, 2018SaveLearn
Computational efficiency of numerical integration methods for the tangent dynamics of many-body Hamiltonian systems in one and two spatial dimensionsWe investigate the computational performance of various numerical methods for the integration of the equations of motion and the variational equations for some typical classical many-body models of…Carlo Danieli, Bertin Many Manda, Mithun Thudiyangal et al.·Dec 5, 2018SaveLearn
A Scheme for Ultrasensitive Detection of Molecules by Using Vibrational Spectroscopy in Combination with Signal ProcessingWe show that combining vibrational spectroscopy with signal processing can result in a scheme for ultrasensitive detection of molecules. We consider the vibrational spectrum as a signal on the energy…Tay Yong Boon, Ian Tay Rongde, Loy Liang Yi et al.·Dec 5, 2018SaveLearn
Rational function regression method for numerical analytic continuationA simple method for numerical analytic continuation is developed. It is designed to analytically continue the imaginary time (Matsubara frequency) quantum Monte Carlo simulation results to the real…Jian Wang, Sudip Chakravarty·Dec 5, 2018SaveLearn
Machine Learning of coarse-grained Molecular Dynamics Force FieldsAtomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and…Jiang Wang, Simon Olsson, Christoph Wehmeyer et al.·Dec 4, 2018SaveLearn
Divergence-Free Magnetohydrodynamics on Conformally Moving, Adaptive Meshes Using a Vector Potential MethodWe present a new method for evolving the equations of magnetohydrodynamics (both Newtonian and relativistic) that is capable of maintaining a divergence-free magnetic field ($∇ · B…P. Chris Fragile, Daniel Nemergut, Payden L. Shaw et al.·Dec 4, 2018SaveLearn