Theoretical design of a strain-controlled nanoporous CN membrane for helium separationDesigning an efficient membrane for He purification is quite crucial in scientific and industrial applications. Ultrathin membranes with intrinsic pores are highly desirable for gas purification…Yongchao Rao, Zhaoqin Chu, Xiao Gu et al.·Nov 27, 2018SaveLearn
Prediction of MoO2 as high capacity electrode material for (Na, K, Ca)-ion batteriesNa, K and Ca-ion battery electrode materials with appropriate electrochemical properties are desirable candidates for replacing lithium-ion batteries (LIBs) because of their natural richness and low…Yongchao Rao, Song Yu, Xiao Gu et al.·Nov 27, 2018SaveLearn
Atomistic Insights Into Cluster Strengthening in Aluminum AlloysIn certain naturally aged aluminum alloys, significant strengthening can be obtained due to the decomposition of a super-saturated solid solution into clusters. The origins of such strengthening…Alban de Vaucorbeil, Chad W. Sinclair, Warren J. Poole·Nov 27, 2018SaveLearn
Influence of the Long-Range Forces in Non-Gaussian Random-Packing DynamicsIn this paper, we perform molecular dynamics (MD) simulations to study the random packing of spheres with different particle size distributions. In particular, we deal with non-Gaussian distributions…Carlos Handrey Araujo Ferraz·Nov 26, 2018SaveLearn
Simulation of macroscopic systems with non-vanishing elastic dipole componentsTo simulate a macroscopic system from a simulation cell, a direct summation of the elastic fields produced by periodic images can be used. If the cell contains a non-zero elastic dipole component,…Thomas Jourdan·Nov 26, 2018SaveLearn
A Dual Grid Method for the Compressible Two-Fluid Model which Combines Robust Flux Splitting Methodology with High-Resolution Capturing of Incompressible DynamicsThe speed of sound in two-phase pipe flow systems is often several orders of magnitude greater than the travelling speed of hydraulic information (volume fractions.) Dynamically simulating such flows…Andreas Holm Akselsen·Nov 26, 2018SaveLearn
Response on the "Extended Comment on the Article "Consistent Development of a Beam-To-Beam Contact Algorithm via the Curve to Solid Beam Contact - Analysis for the Non-Frictional Case"Summarizing our discussions, in the Extended Comment on the Article, that we received, we again did not find any general solution of CPP including any method of solution of inequalities either. This…Alexander Konyukhov, Karl Schweizerhof·Nov 26, 2018SaveLearn
HEP Software Foundation Community White Paper Working Group --- VisualizationIn modern High Energy Physics (HEP) experiments visualization of experimental data has a key role in many activities and tasks across the whole data chain: from detector development to monitoring,…Matthew Bellis, Riccardo Maria Bianchi, Sebastien Binet et al.·Nov 26, 2018SaveLearn
Associative IntegratorDynamic systems have a fundamental relevance in the description of physical phenomena. The search for more accurate and faster numerical integration methods for the resolution of such systems is,…J. Avellar, L. G. S. Duarte, L. A. C. P. da Mota et al.·Nov 25, 2018SaveLearn
Atomic mechanisms of fast diffusion of large atoms in GermaniumThe performance of strained silicon as the channel material for transistors has plateaued. Motivated by increasing charge-carrier mobility within the device channel to improve transistor performance,…Yuhan Ye, Manting Gui, Jun-Wei Luo·Nov 25, 2018SaveLearn
A relaxation time model for efficient and accurate prediction of lattice thermal conductivityPrediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art method based on…Han Xie, Xiaokun Gu, Hua Bao·Nov 25, 2018SaveLearn
A graph theoretic framework for representation, exploration and analysis on computed states of physical systemsA graph theoretic perspective is taken for a range of phenomena in continuum physics in order to develop representations for analysis of large scale, high-fidelity solutions to these problems. Of…R. Banerjee, K. Sagiyama, G. H. Teichert et al.·Nov 24, 2018SaveLearn
Free open reference implementation of a two-phase PEM fuel cell modelIn almost 30 years of PEM fuel cell modeling, countless numerical models have been developed in science and industrial applications, almost none of which have been fully disclosed to the public.…Roman Vetter, Jürgen O. Schumacher·Nov 24, 2018SaveLearn
Recovery Time of Matter Airy Beams using the Path Integral Quantum Trajectory ModelThe Path Integral Quantum Trajectory (PIQTr) model is introduced as a new computational tool for the study of non-relativistic, quantum mechanical wave packets. We introduce the numerical algorithm…A. L. Harris, T. A. Saxton, Z. G. Temple·Nov 23, 2018SaveLearn
The Vlasov equation correct application based on the higher orders kinematic values for the dissipative systems descriptionThis paper revises traditional phenomenological approaches to the application of Vlasov equation to describe the dissipative systems. The original equation by A.A. Vlasov obtained differs from the…E. E. Perepelkin, B. I. Sadovnikov, N. G. Inozemtseva et al.·Nov 23, 2018SaveLearn
Combined CG-HDG Method for Elliptic Problems: Performance ModelWe combine continuous and discontinuous Galerkin methods in the setting of a model diffusion problem. Starting from a hybrid discontinuous formulation, we replace element interiors by more general…Martin Vymazal, David Moxey, Chris Cantwell et al.·Nov 23, 2018SaveLearn
Estimating of the inertial manifold dimension for a chaotic attractor of complex Ginzburg-Landau equation using a neural networkDimension of an inertial manifold for a chaotic attractor of spatially distributed system is estimated using autoencoder neural network. The inertial manifold is a low dimensional manifold where the…Pavel V. Kuptsov, Anna V. Kuptsova·Nov 23, 2018SaveLearn
On the use of the equivalent source method for free-field calibration of an acoustic radiator in a reverberant tankIt is shown that the use of the equivalent source method allows one to reconstruct the sound field excited by an acoustic radiator in free space from the measurements of the sound filed excited by…A. L. Virovlyansky, M. S. Deryabin·Nov 22, 2018SaveLearn
A discontinuous Galerkin method for wave propagation in orthotropic poroelastic media with memory termsIn this paper, we investigate wave propagation in orthotropic poroelastic media by studying the time-domain poroelastic equations. Both the low frequency Biot's (LF-Biot) equations and the…Jiangming Xie, Miao-jung Yvonne Ou, Liwei Xu·Nov 22, 2018SaveLearn
Decay of high-energy electron bound states in crystalsHigh-energy electrons that are used as a probe of specimens in transmission electron microscopy exhibit a complex and rich behavior due to multiple scattering. Among other things, understanding the…Tadas Paulauskas, Robert F. Klie·Nov 22, 2018SaveLearn
Physical extrapolation of quantum observables by generalization with Gaussian ProcessesFor applications in chemistry and physics, machine learning (ML) is generally used to solve one of three problems: interpolation, classification or clustering. These problems use information about…Rodrigo A. Vargas-Hernández, Roman V. Krems·Nov 21, 2018SaveLearn
Steerable Wavelet Scattering for 3D Atomic Systems with Application to Li-Si Energy PredictionA general machine learning architecture is introduced that uses wavelet scattering coefficients of an inputted three dimensional signal as features. Solid harmonic wavelet scattering transforms of…Xavier Brumwell, Paul Sinz, Kwang Jin Kim et al.·Nov 21, 2018SaveLearn
Implicit High-Order Flux Reconstruction Solver for High-Speed Compressible FlowsThe present paper addresses the development and implementation of the first high-order Flux Reconstruction (FR) solver for high-speed flows within the open-source COOLFluiD (Computational…Ray Vandenhoeck, Andrea Lani·Nov 21, 2018SaveLearn
The high-frequency dynamics of domain walls with strong Dzyaloshinskii-Moriya interactionDomain walls (DWs) in perpendicularly magnetized nanotracks (PMNTs) with interfacial Dzyaloshinskii-Moriya interaction (DMI) have become the primary objects of theoretical and experimental interest…Yue Zhang, Mao-Kang Shen, Zai-Dong Li et al.·Nov 21, 2018SaveLearn
Validity of the Molecular-Dynamics-Lattice-Gas Global Equilibrium Distribution FunctionThe MDLG method establishes a direct link between a lattice-gas method and the coarse-graining of a Molecular Dynamics approach. Due to its connection to Molecular Dynamics, the MDLG rigorously…M. Reza Parsa, Aleksandra Pachalieva, Alexander J. Wagner·Nov 20, 2018SaveLearn