Higher Order Continuum Wave Equation Calibrated on Lattice DynamicsThe classical approach to linking lattice dynamics properties to continuum equations of motion, the "method of long waves," is extended to include higher order terms. The additional terms…Zhijie Xu, R. C. Picu, J. Fish·Aug 28, 2018SaveLearn
Phase field and level set methods for modeling solute precipitation and/or dissolutionThe dynamics of solid-liquid interfaces controlled by solute precipitation and/or dissolution due to the chemical reaction at the interface were computed in two dimensions using a phase field models.…Zhijie Xu, Hai Huang, Xiaoyi Li et al.·Aug 28, 2018SaveLearn
Physics-based r-adaptive algorithms for high-speed flows and plasma simulationsThe computational modeling of high-speed flows (e.g. hypersonic) and space plasmas is characterized by a plethora of complex physical phenomena, in particular involving strong oblique shocks, bow…Firas Ben Ameur, Andrea Lani·Aug 27, 2018SaveLearn
Wave Scattering by a Cylindrical Metasurface Cavity of Arbitrary Cross-Section: Theory and ApplicationsThis paper presents a technique, combining the integral equations (IE) and the Generalized Sheet Transition Conditions (GSTCs) with bianisotropic susceptibility tensors, to compute electromagnetic…Mojtaba Dehmollaian, Nima Chamanara, Christophe Caloz·Aug 27, 2018SaveLearn
A local Bayesian optimizer for atomic structuresA local optimization method based on Bayesian Gaussian Processes is developed and applied to atomic structures. The method is applied to a variety of systems including molecules, clusters, bulk…Estefanía Garijo del Río, Jens Jørgen Mortensen, Karsten W. Jacobsen·Aug 26, 2018SaveLearn
A versatile lattice Boltzmann model for immiscible ternary fluid flowsWe propose a lattice Boltzmann color-gradient model for immiscible ternary fluid flows, which is applicable to the fluids with a full range of interfacial tensions, especially in near-critical and…Yuan Yu, Haihu Liu, Dong Liang et al.·Aug 26, 2018SaveLearn
Size dependence of the Graphene Islands Moving on Cu (111) Surface during the CVD GrowthThe graphene islands, formed as different sizes, are crucial for the final quality of the formed graphene during the CVD growth either as the nucleation seeds or as the build blocks for larger…Ziwei Xu, Changshuai Shi, Lu Qiu et al.·Aug 24, 2018SaveLearn
Folding a Small Protein Using Harmonic Linear Discriminant AnalysisMany processes of scientific importance are characterized by time scales that extend far beyond the reach of standard simulation techniques. To circumvent this impediment a plethora of enhanced…Dan Mendels, Giovannimaria Piccini, Z. Faidon Brotzakis et al.·Aug 23, 2018SaveLearn
Emerging Trends in Numerical Simulations of Combustion SystemsNumerical simulations have played a vital role in the design of modern combustion systems. Over the last two decades, the focus of research has been on the development of the large eddy simulation…Venkat Raman, Malik Hassanaly·Aug 22, 2018SaveLearn
Smart energy models for atomistic simulations using a DFT-driven multifidelity approachThe reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in…Luca Messina, Alessio Quaglino, Alexandra Goryaeva et al.·Aug 21, 2018SaveLearn
Search for Common Minima in Joint Optimization of Multiple Cost FunctionsWe present a novel optimization method, named the Combined Optimization Method (COM), for the joint optimization of two or more cost functions. Unlike the conventional joint optimization schemes,…Daiki Adachi, Naoto Tsujimoto, Ryosuke Akashi et al.·Aug 21, 2018SaveLearn
Maxwell-Stefan theory based lattice Boltzmann model for diffusion in multicomponent mixturesThe phenomena of diffusion in multicomponent (more than two components) mixtures are very universal in both science and engineering, and from mathematical point of view, they are usually described by…Zhenhua Chai, Xiuya Guo, Lei Wang et al.·Aug 21, 2018SaveLearn
Giant fluctuations in sheared viscoelastic fluids emerging in a mesoscale simulationShear flow is known to induce huge density fluctuations in otherwise clear and uniform polymer solutions. This effect is rooted in the elasticity of the entangled polymer network, and can span…Airidas Korolkovas·Aug 20, 2018SaveLearn
Multiple-Relaxation-Time Lattice Boltzmann scheme for Fractional Advection-Diffusion EquationPartial differential equations (p.d.e) equipped of spatial derivatives of fractional order capture anomalous transport behaviors observed in diverse fields of Science. A number of numerical methods…Alain Cartalade, Amina Younsi, Marie-Christine Néel·Aug 20, 2018SaveLearn
A lattice Boltzmann model for two-phase flow in porous mediaIn this paper, a lattice Boltzmann (LB) model with double distribution functions is proposed for two-phase flow in porous media where one distribution function is used for pressure governed by the…Zhenhua Chai, Hong Liang, Rui Du et al.·Aug 18, 2018SaveLearn
Accelerated search and design of stretchable graphene kirigami using machine learningMaking kirigami-inspired cuts into a sheet has been shown to be an effective way of designing stretchable materials with metamorphic properties where the 2D shape can transform into complex 3D…Paul Z. Hanakata, Ekin D. Cubuk, David K. Campbell et al.·Aug 18, 2018SaveLearn
Gauss's Law Satisfying Energy-Conserving Semi-Implicit Particle-in-Cell MethodThe Energy Conserving Semi-Implicit Method (ECSIM) introduced by Lapenta (2017) has many advantageous properties compared to the classical semi-implicit and explicit PIC methods. Most importantly,…Yuxi Chen, Gabor Toth·Aug 17, 2018SaveLearn
Bi-fidelity approximation for uncertainty quantification and sensitivity analysis of irradiated particle-laden turbulenceEfficiently performing predictive studies of irradiated particle-laden turbulent flows has the potential of providing significant contributions towards better understanding and optimizing, for…Hillary R. Fairbanks, Lluis Jofre, Gianluca Geraci et al.·Aug 17, 2018SaveLearn
A Universal Algorithm for Continuous Time Random Walks Limit DistributionsIn this article, we generalize the recent Discrete Time Random Walk (DTRW) algorithm, which was introduced for the computation of probability densities of fractional diffusion. Although it has the…Gurtek Gill, Peter Straka·Aug 17, 2018SaveLearn
Optimization of photonic crystal nanocavities based on deep learningAn approach to optimizing the Q factors of two-dimensional photonic crystal (2D-PC) nanocavities based on deep learning is proposed and demonstrated. We prepare a dataset consisting of 1000…Takashi Asano, Susumu Noda·Aug 17, 2018SaveLearn
Parametric POD-Galerkin Model Order Reduction for Unsteady-State Heat Transfer ProblemsA parametric reduced order model based on proper orthogonal decomposition with Galerkin projection has been developed and applied for the modeling of heat transport in T-junction pipes which are…Sokratia Georgaka, Giovanni Stabile, Gianluigi Rozza et al.·Aug 15, 2018SaveLearn
A variable high-order shock-capturing finite difference method with GP-WENOWe present a new finite difference shock-capturing scheme for hyperbolic equations on static uniform grids. The method provides selectable high-order accuracy by employing a kernel-based Gaussian…Adam Reyes, Dongwook Lee, Carlo Graziani et al.·Aug 15, 2018SaveLearn
Lattice Boltzmann Simulations of Non-Equilibrium Fluctuations in a Non-Ideal Binary MixtureIn the recent years the lattice Boltzmann (LB) methodology has been fruitfully extended to include the effects of thermal fluctuations. So far, all studied cases pertain equilibrium fluctuations,…Daniele Belardinelli, Mauro Sbragaglia, Roberto Benzi et al.·Aug 15, 2018SaveLearn
Entropy-stable hybridized discontinuous Galerkin methods for the compressible Euler and Navier-Stokes equationsIn the spirit of making high-order discontinuous Galerkin (DG) methods more competitive, researchers have developed the hybridized DG methods, a class of discontinuous Galerkin methods that…Pablo Fernandez, Ngoc-Cuong Nguyen, Jaime Peraire·Aug 15, 2018SaveLearn
Parameter estimation in modelling frequency response of coupled systems using a stepwise approachThis paper studies the problem of parameter estimation in resonant, acoustic fluid-structure interaction problems over a wide frequency range. Problems with multiple resonances are known to be…Peter Göransson, Jacques Cuenca, Timo Lähivaara·Aug 15, 2018SaveLearn