Effects of interlayer exchange on collapse mechanisms and stability of magnetic skyrmionsTheoretical calculations of thermally activated decay of skyrmions in systems comprising several magnetic monolayers are presented, with a special focus on bilayer systems. Mechanisms of skyrmion…Hendrik Schrautzer, Stephan von Malottki, Pavel F. Bessarab et al.·Aug 16, 2021SaveLearn
Analytical Mechanics With Quasi-VelocitiesThis paper presents a formulation of Lagrangian dynamics of constrained mechanical systems in terms of reduced quasi-velocities and quasi-forces that can be used for simulation, analysis, and control…Farhad Aghili·Aug 16, 2021SaveLearn
Conductive Heat Transfer through Nanoconfined Gas: From Continuum to Free-Molecular RegimeIn the past few decades, great efforts have been devoted to studying heat transfer on the nanoscale due to its importance in multiple technologies such as thermal control and sensing applications.…Reza Rabani, Samy Merabia, Ahmadreza Pishevar·Aug 15, 2021SaveLearn
A low-dissipation HLLD approximate Riemann solver for a very wide range of Mach numbersWe propose a new Harten-Lax-van Leer discontinuities (HLLD) approximate Riemann solver to improve the stability of shocks and the accuracy of low-speed flows in multidimensional magnetohydrodynamic…Takashi Minoshima, Takahiro Miyoshi·Aug 11, 2021SaveLearn
Machine Learning of consistent thermodynamic models using automatic differentiationWe propose a data-driven method to describe consistent equations of state (EOS) for arbitrary systems. Complex EOS are traditionally obtained by fitting suitable analytical expressions to…David Rosenberger, Kipton Barros, Timothy C. Germann et al.·Aug 10, 2021SaveLearn
On the Spurious Interior Resonance Modes of Time Domain Integral Equations for Analyzing Acoustic Scattering from Penetrable ObjectsThe interior resonance problem of time domain integral equations (TDIEs) formulated to analyze acoustic field interactions on penetrable objects is investigated. Two types of TDIEs are considered:…Rui Chen, Yifei Shi, Sadeed Bin Sayed et al.·Aug 10, 2021SaveLearn
Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADEThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability…Janek Kozicki, Anton Gladky, Klaus Thoeni·Aug 9, 2021SaveLearn
Testing density functional theory in a quantum Ising chainBy using the quantum Ising chain as a test bed and treating the spin polarization along the external transverse field as the "generalized density", we examine the performance of different levels of…Jiahao Mao, Haifeng Tang, Wenhui Duan et al.·Aug 9, 2021SaveLearn
Effect of Interfacial Defects on the Electronic Properties of MoS2 Based Lateral T-H Heterophase JunctionsThe coexistence of semiconducting (2H) and metallic (1T) phases of MoS2 monolayers have further pushed their strong potential for applications in the next generation of electronic devices based…Mohammad Bahmani, Mahdi Ghorbani-Asl, Thomas Frauenheim·Aug 8, 2021SaveLearn
Shock-wave-like emission of spin waves induced by interfacial Dzyaloshinskii-Moriya interactionWe investigated spin wave (SW) propagation and emission in thin film systems with strong interfacial Dzyaloshinskii-Moriya interaction (DMI) utilizing micromagnetic simulation. The effect of DMI on…Hong Xia, Haoran Chen, Changyeon Won et al.·Aug 8, 2021SaveLearn
jVMC: Versatile and performant variational Monte Carlo leveraging automated differentiation and GPU accelerationThe introduction of Neural Quantum States (NQS) has recently given a new twist to variational Monte Carlo (VMC). The ability to systematically reduce the bias of the wave function ansatz renders the…Markus Schmitt, Moritz Reh·Aug 7, 2021SaveLearn
Bringing discrete-time Langevin splitting methods into agreement with thermodynamicsIn light of the recently published complete set of statistically correct Gronbech-Jensen (GJ) methods for discrete-time thermodynamics, we revise a differential operator splitting method for the…Joshua Finkelstein, Chungho Cheng, Giacomo Fiorin et al.·Aug 7, 2021SaveLearn
Multi-Frequency Implicit Semi-analog Monte-Carlo (ISMC) Radiative Transfer Solver in Two-Dimensions (without Teleportation)We study the multi-dimensional radiative transfer phenomena using the ISMC scheme, in both gray and multi-frequency problems. Implicit Monte-Carlo (IMC) schemes have been in use for five decades. The…Elad Steinberg, Shay I. Heizler·Aug 5, 2021SaveLearn
Redatuming physical systems using symmetric autoencodersThis paper considers physical systems described by hidden states and indirectly observed through repeated measurements corrupted by unmodeled nuisance parameters. A network-based representation…Pawan Bharadwaj, Matthew Li, Laurent Demanet·Aug 5, 2021SaveLearn
Thermal conductivity of micro/nano-porous polymers: Prediction models and applicationsMicro/nano porous polymeric material is considered a unique industrial material due to its extremely low thermal conductivity, low density, and high surface area. Therefore, it is necessary to…Haiyan Yu, Haochun Zhang, Jinchuan Zhao et al.·Aug 5, 2021SaveLearn
On the drag and lift coefficients of ellipsoidal particles under rarefied flow conditionsThe capability to simulate a two-way coupled interaction between a rarefied gas and an arbitrary-shaped colloidal particle is important for many practical applications, such as aerospace engineering,…Cosimo Livi, Gianluca Di Staso, Herman H. J. Clercx et al.·Aug 4, 2021SaveLearn
Efficient Data Selection Methods for the Development of Machine Learned PotentialsWe present an investigation into data selection methods for the efficient sampling of configuration space as applied to the development of inter-atomic potentials for scale bridging in molecular…Jan Finkbeiner, Samuel Tovey, Christian Holm·Aug 3, 2021SaveLearn
KiNet: A Deep Neural Network Representation of Chemical KineticsDeep learning is a potential approach to automatically develop kinetic models from experimental data. We propose a deep neural network model of KiNet to represent chemical kinetics. KiNet takes the…Weiqi Ji, Sili Deng·Aug 1, 2021SaveLearn
Learning Nonlinear Waves in Plasmon-induced TransparencyPlasmon-induced transparency (PIT) displays complex nonlinear dynamics that find critical phenomena in areas such as nonlinear waves. However, such a nonlinear solution depends sensitively on the…Jiaxi Cheng, Zhenhao Cen, Siliu Xu·Jul 31, 2021SaveLearn
Unified analysis of finite-size error for periodic Hartree-Fock and second order Mller-Plesset perturbation theoryDespite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack…Xin Xing, Xiaoxu Li, Lin Lin·Jul 31, 2021SaveLearn
Self-consistent ion beam analysis: an approach by multi-objective optimizationIon Beam Analysis (IBA) comprises a set of analytical techniques suited for material analysis, many of which are rather closely related. Self-consistent analysis of several IBA techniques takes…Tiago F. Silva, Cleber L. Rodrigues, Nemitala Added et al.·Jul 29, 2021SaveLearn
Calculating elements of matrix functions using divided differencesWe introduce a method for calculating individual elements of matrix functions. Our technique makes use of a novel series expansion for the action of matrix functions on basis vectors that is memory…Lev Barash, Stefan Güttel, Itay Hen·Jul 29, 2021SaveLearn
Data-Driven Dynamical Mean-Field Theory: an error-correction approach to solve the quantum many-body problem using machine learningMachine learning opens new avenues for modelling correlated materials. Quantum embedding approaches, such as the dynamical mean-field theory (DMFT), provide corrections to first-principles…Evan Sheridan, Christopher Rhodes, Francois Jamet et al.·Jul 29, 2021SaveLearn
Recent advances in ADL, CutLang and adl2tnmThis paper presents an overview and features of an Analysis Description Language (ADL) designed for HEP data analysis. ADL is a domain specific, declarative language that describes the physics…Harrison B. Prosper, Sezen Sekmen, Gokhan Unel et al.·Jul 28, 2021SaveLearn
Open quantum dynamics theory on the basis of periodical system-bath model for discrete Wigner functionDiscretizing a distribution function in a phase space for an efficient quantum dynamics simulation is a non-trivial challenge, in particular for a case that a system is further coupled to…Yuki Iwamoto, Yoshitaka Tanimura·Jul 27, 2021SaveLearn