An energy-preserving level set method for multiphase flowsThe computation of multiphase flows presents a subtle energetic equilibrium between potential (i.e., surface) and kinetic energies. The use of traditional interface-capturing schemes provides no…N. Valle, F. X. Trias, J. Castro·Aug 29, 2019SaveLearn
A full Stokes subgrid model for simulation of grounding line migration in ice sheetsThe full Stokes equations are solved by a finite element method for simulation of large ice sheets and glaciers. The simulation is particularly sensitive to the discretization of the grounding line…Gong Cheng, Per Lötstedt, Lina von Sydow·Aug 28, 2019SaveLearn
Structure and size of the plastic zone formed during nanoindentation of a metallic glassUsing molecular dynamics simulation, we study the plastic zone created during nanoindentation of a large CuZr glass system. The plastic zone consists of a core region, in which virtually every atom…Karina E. Avila, Stefan Küchemann, Herbert M. Urbassek·Aug 28, 2019SaveLearn
Nanoscratching of metallic glasses -- An atomistic studyTribological properties of materials play an important role in engineering applications. Up to now, a number of experimental studies have identified correlations between tribological parameters and…Karina E. Avila, Stefan Küchemann, Iyad Alabd Alhafez et al.·Aug 28, 2019SaveLearn
Machine-learning techniques for the optimal design of acoustic metamaterialsRecently, an increasing research effort has been dedicated to analyse the transmission and dispersion properties of periodic acoustic metamaterials, characterized by the presence of local resonators.…Andrea Bacigalupo, Giorgio Gnecco, Marco Lepidi et al.·Aug 28, 2019SaveLearn
Solving fermion problems without solving the sign problem: symmetry-breaking wave functions from similarity-transformed propagators for solving 2D quantum dotsIt is well known that the use of the primitive second-order propagator in Path Integral Monte Carlo calculations of many-fermion systems leads to the sign problem. In this work, we show that by using…Siu A. Chin·Aug 27, 2019SaveLearn
Coarse-graining molecular dynamics: stochastic models with non-Gaussian force distributionsIncorporating atomistic and molecular information into models of cellular behaviour is challenging because of a vast separation of spatial and temporal scales between processes happening at the…Radek Erban·Aug 27, 2019SaveLearn
Transfer learning for scalability of neural-network quantum statesNeural-network quantum states have shown great potential for the study of many-body quantum systems. In statistical machine learning, transfer learning designates protocols reusing features of a…Remmy Zen, Long My, Ryan Tan et al.·Aug 26, 2019SaveLearn
Reactive Particle-tracking Solutions to a Benchmark Problem on Heavy Metal Cycling in Lake SedimentsGeochemical systems are known to exhibit highly variable spatiotemporal behavior. This may be observed both in non-smooth concentration curves in space for a single sampling time and also in…Michael J. Schmidt, Stephen D. Pankavich, Alexis Navarre-Sitchler et al.·Aug 26, 2019SaveLearn
Fast Nonlinear Fourier Transform using Chebyshev PolynomialsWe explore the class of exponential integrators known as exponential time differencing (ETD) method in this letter to design low complexity nonlinear Fourier transform (NFT) algorithms that compute…Vishal Vaibhav·Aug 26, 2019SaveLearn
A comparative evaluation of three volume rendering libraries for the visualization of sheared thermal convectionOceans play a big role in the nature of our planet, about 70 \% of our earth is covered by water. Strong currents are transporting warm water around the world making life possible, and allowing…Jean M. Favre, Alexander Blass·Aug 26, 2019SaveLearn
New stable, explicit, first order method to solve the heat conduction equationWe introduce a novel explicit and stable numerical algorithm to solve the spatially discretized heat or diffusion equation. We compare the performance of the new method with analytical and numerical…Endre Kovács·Aug 26, 2019SaveLearn
Modified mass-conservative curved boundary scheme for lattice Boltzmann simulationsThe lattice Boltzmann (LB) method has gained much success in a variety of fields involving fluid flow and/or heat transfer. In this method, the bounce-back scheme is a popular boundary scheme for…Y. Yu, Q. Li, Z. X. Wen·Aug 24, 2019SaveLearn
Effect of mechanical strain on the optical properties of nodal-line semimetal ZrSiSOptical properties of nodal-line semimetal ZrSiS are studied using first-principles calculations. Frequency-independent optical conductivity is a fingerprint of the infrared optical response in…Weiqing Zhou, A. N. Rudenko, Shengjun Yuan·Aug 23, 2019SaveLearn
Vector FittingWe introduce the Vector Fitting algorithm for the creation of reduced-order models from the sampled response of a linear time-invariant system. This data-driven approach to reduction is particularly…Piero Triverio·Aug 23, 2019SaveLearn
A parametric finite element method for solid-state dewetting problems in three dimensionsWe propose a parametric finite element method (PFEM) for efficiently solving the morphological evolution of solid-state dewetting of thin films on a flat rigid substrate in three dimensions (3D). The…Quan Zhao, Wei Jiang, Weizhu Bao·Aug 22, 2019SaveLearn
Analysis of dynamic ruptures generating seismic waves in a self-gravitating planet: an iterative coupling scheme and well-posednessWe study the solution of the system of equations describing the dynamical evolution of spontaneous ruptures generated in a prestressed elastic-gravitational deforming body and governed by rate and…Maarten V. de Hoop, Kundan Kumar, Ruichao Ye·Aug 22, 2019SaveLearn
Semi-Lagrangian implicit Bhatnagar-Gross-Krook collision model for the finite-volume discrete Boltzmann methodA new implicit BGK collision model using a semi-Lagrangian approach is proposed in this paper. Unlike existing models, in which the implicit BGK collision is resolved either by a temporal…Leitao Chen, Sauro Succi, Xiaofeng Cai et al.·Aug 21, 2019SaveLearn
Inverse Structural Design of Graphene/Boron Nitride Hybrids by Regressional GANInverse design of materials with desired properties is currently laborious and heavily relies on intuition of researchers through a trial-and-error process. The massive combinational spaces due to…Yuan Dong, Dawei Li, Chi Zhang et al.·Aug 21, 2019SaveLearn
Symmetry-preserving WENO limitersWeighted essentially non-oscillatory (WENO) reconstruction schemes are presented that preserve cylindrical symmetry for radial flows on an equal-angle polar mesh. These new WENO schemes are used with…Xiaodong Liu, Nathaniel R. Morgan, Donald E. Burton·Aug 21, 2019SaveLearn
Machine-learning interatomic potential for radiation damage and defects in tungstenWe introduce a machine-learning interatomic potential for tungsten using the Gaussian Approximation Potential framework. We specifically focus on properties relevant for simulations of…Jesper Byggmästar, Ali Hamedani, Kai Nordlund et al.·Aug 20, 2019SaveLearn
Population-based metaheuristic optimization in neutron optics and shielding designPopulation-based metaheuristic algorithms are powerful tools in the design of neutron scattering instruments and the use of these types of algorithms for this purpose is becoming more and more…D. D. DiJulio, H. Björgvinsdóttir, C. Zendler et al.·Aug 20, 2019SaveLearn
A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulationsWe propose an algorithm for molecular dynamics or Monte Carlo simulations that uses an interpolation procedure to estimate potential energy values from energies and gradients evaluated previously at…Konstantin Karandashev, Jiri Vanicek·Aug 19, 2019SaveLearn
Electron-phonon coupling and hot electron thermalization in titanium nitrideWe have studied the thermalization of hot carriers in both pristine and defective titanium nitride (TiN) using a two-temperature model. All parameters of this model, including the electron-phonon…Stefano Dal Forno, Johannes Lischner·Aug 19, 2019SaveLearn
Wavelet-based parallel dynamic mesh adaptation for magnetohydrodynamics in the AMROC frameworkComputational magnetohydrodynamics (MHD) for space physics has become an essential area in understanding the multiscale dynamics of geophysical and astrophysical plasma processes, partially motivated…Margarete Oliveira Domingues, Ralf Deiterding, Muller Moreira Lopes et al.·Aug 17, 2019SaveLearn