Thomson problem in one dimension: minimal energy configurations of N charges on a curveWe have studied the configurations of minimal energy of N charges on a curve on the plane, interacting with a repulsive potential Vij = 1/rijs, with s ≥ 1 and i,j=1,…, N. Among…Paolo Amore, Martin Jacobo·Oct 8, 2018SaveLearn
Maximum Likelihood Analysis of Reaction Coordinates during Solidification in NiUnderstanding the underlying mechanism of crystal nucleation during solidification is a fundamental aspect in the prediction and control of materials properties. Classical nucleation theory (CNT)…Grisell Diaz Leines, Jutta Rogal·Oct 7, 2018SaveLearn
A fast spectral method for the Uehling-Uhlenbeck equation for quantum gas mixtures: homogeneous relaxation and transport coefficientsA fast spectral method (FSM) is developed to solve the Uehling-Uhlenbeck equation for quantum gas mixtures with generalized differential cross-sections. Spatially-homogeneous relaxation problems are…Wu Lei·Oct 7, 2018SaveLearn
General method to retrieve all effective acoustic properties of fully-anisotropic fluid materials in three dimensional spaceAnisotropic fluid materials are of growing interest with the development of metamaterials and transformation acoustics. In the general three-dimensional case, such materials are characterized by a…Arthur Terroir, Logan Schwan, Théo Cavalieri et al.·Oct 6, 2018SaveLearn
A preconditioning scheme for Minimum Energy Path finding methodsPopular methods for identifying transition paths between energy minima, such as the nudged elastic band and string methods, typically do not incorporate potential energy curvature information,…Stela Makri, Christoph Ortner, James R. Kermode·Oct 5, 2018SaveLearn
Nonlinear Acceleration of Sequential Fully Implicit (SFI) Method for Coupled Flow and Transport in Porous MediaThe sequential fully implicit (SFI) method was introduced along with the development of the multiscale finite volume (MSFV) framework, and has received considerable attention in recent years. Each…Jiamin Jiang, Hamdi A. Tchelepi·Oct 4, 2018SaveLearn
A nonlocal operator method for solving partial differential equationsWe propose a nonlocal operator method for solving partial differential equations (PDEs). The nonlocal operator is derived from the Taylor series expansion of the unknown field, and can be regarded as…Huilong Ren, Xiaoying Zhuang, Timon Rabczuk·Oct 4, 2018SaveLearn
Koopmans-compliant functionals and potentials and their application to the GW100 test-setKoopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piece-wise linearity of the total energy as a function of the fractional…Nicola Colonna, Ngoch Linh Nguyen, Andrea Ferretti et al.·Oct 4, 2018SaveLearn
Magnetic moment generation in small gold nanoparticles via the plasmonic inverse Faraday effectWe theoretically investigate the creation of a magnetic moment in gold nanoparticles by circularly polarized laser light. To this end, we describe the collective electron dynamics in gold…Jerome Hurst, Peter Oppeneer, Paul-Antoine Hervieux et al.·Oct 4, 2018SaveLearn
Characterising poroelastic materials in the ultrasonic range - A Bayesian approachAcoustic fields scattered by poroelastic materials contain key information about the materials' pore structure and elastic properties. Therefore, such materials are often characterised with…Matti Niskanen, Olivier Dazel, Jean-Philippe Groby et al.·Oct 3, 2018SaveLearn
Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decompositionWe describe an algorithm to reduce the cost of auxiliary-field quantum Monte Carlo (AFQMC) calculations for the electronic structure problem. The technique uses a nested low-rank factorization of the…Mario Motta, James Shee, Shiwei Zhang et al.·Oct 3, 2018SaveLearn
DANTON: a Monte-Carlo sampler of τ from ντ interacting with the EarthA preliminary version (v0.2.1) of the DANTON Monte-Carlo package is presented. DANTON allows the exclusive sampling of (decaying) τ generated by ντ interactions with the Earth. The particles…Valentin Niess, Olivier Martineau-Huynh·Oct 3, 2018SaveLearn
Building traps for skyrmions by the incorporation of magnetic defects into nanomagnets: pinning and scattering traps by magnetic properties engineeringIn this work we have used micromagnetic simulations to report four ways to build traps for magnetic skyrmions. Magnetic defects have been modeled as local variations in the material parameters, such…D. Toscano, S. A. Leonel, P. Z. Coura et al.·Oct 2, 2018SaveLearn
Machine learning clustering technique applied to powder X-ray diffraction patterns to distinguish alloy substitutionsWe applied the clustering technique using DTW (dynamic time wrapping) analysis to XRD (X-ray diffraction) spectrum patterns in order to identify the microscopic structures of substituents introduced…Keishu Utimula, Rutchapon Hunkao, Masao Yano et al.·Oct 2, 2018SaveLearn
A boundary-integral approach for the Poisson-Boltzmann equation with polarizable force fieldsImplicit-solvent models are widely used to study the electrostatics in dissolved biomolecules, which are parameterized using force fields. Standard force fields treat the charge distribution with…Christopher D. Cooper·Oct 2, 2018SaveLearn
Analysis of chemical pathways for n-dodecane/air turbulent premixed flamesThis paper analyzes turbulence-chemistry interactions for an n-dodecane-air flame, focusing on the degree to which fuel oxidation pathways change in turbulent flames relative to their corresponding…D. Dasgupta, W. Sun, M. Day et al.·Oct 2, 2018SaveLearn
HEP Software Foundation Community White Paper Working Group - Data and Software Preservation to Enable ReuseIn this chapter of the High Energy Physics Software Foundation Community Whitepaper, we discuss the current state of infrastructure, best practices, and ongoing developments in the area of data and…M. D. Hildreth, A. Boehnlein, K. Cranmer et al.·Oct 2, 2018SaveLearn
Discrete variable representation method calculation of the electronic structure of noble gas atomsWe have been calculated the ground state charge densities and energies of noble gas atoms through a single time dependent quantum fluid Schrodinger equation. By using imaginary - time, the…D. Naranchimeg, L. Khenmedekh, G. Munkhsaikhan et al.·Oct 2, 2018SaveLearn
Approximating strange attractors and Lyapunov exponents of delay differential equations using Galerkin projectionsDelay differential equations (DDEs) are infinite-dimensional systems, so even a scalar, unforced nonlinear DDE can exhibit chaos. Lyapunov exponents are indicators of chaos and can be computed by…Anwar Sadath, Thomas K. Uchida, C. P. Vyasarayani·Oct 1, 2018SaveLearn
Artificial Neural Network Approach to the Analytic Continuation ProblemInverse problems are encountered in many domains of physics, with analytic continuation of the imaginary Green's function into the real frequency domain being a particularly important example.…Romain Fournier, Lei Wang, Oleg V. Yazyev et al.·Oct 1, 2018SaveLearn
Non-Iterative Characteristics Analysis for High-Pressure Ramp LoadingIn the canonical ramp compression experiment, a smoothly-increasing load is applied to the surface of the sample, and the particle velocity history is measured at two or more different distances into…Damian C. Swift, Dayne E. Fratanduono, Richard G. Kraus et al.·Oct 1, 2018SaveLearn
N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteriesSince the first report of graphdiyne nanomembranes synthesis in 2010, different novel graphdiyne nanosheets have been fabricated. In a latest experimental advance, triphenylene-graphdiyne (TpG), a…Bohayra Mortazavi, Masoud Shahrokhi, Mohamed E. Madjet et al.·Oct 1, 2018SaveLearn
Angular-momentum conservation in discretization of Navier-Stokes equation for viscous fluidsAlthough the Navier-Stokes equation (NSE) is derived under angular-momentum conservation (AMC), numerical simulation methods often lack it. Here, we reveal that AMC violations result from…Hiroshi Noguchi·Sep 30, 2018SaveLearn
GPU acceleration of an iterative scheme for gas-kinetic model equations with memory reduction techniquesThis paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes,…Lianhua Zhu, Peng Wang, Songze Chen et al.·Sep 30, 2018SaveLearn
Micromagnetic Simulations Study of Skyrmions in Magnetic FePt NanoelementsThe magnetization reversal in 330 nm triangular prismatic magnetic nanoelements with variable magnetocrystalline anisotropy similar to that of partially chemically ordered FePt is studied using…Leonidas N. Gergidis, Vasileios D. Stavrou, Drosos Kourounis et al.·Sep 29, 2018SaveLearn