Accelerating Adjoint Variable Method Based Photonic Optimization with Schur Complement Domain DecompositionAdjoint variable method in combination with gradient descent optimization has been widely used for the inverse design of nanophotonic devices. In many of such optimizations, the design region is only…Nathan Zhao, Salim Boutami, Shanhui Fan·May 20, 2019SaveLearn
Projection-based measurement and identificationA recently developed Projection-based Digital Image Correlation (P-DVC) method is here extended to 4D (space and time) displacement field measurement and mechanical identification based on a single…Clément Jailin, Ante Buljac, Amine Bouterf et al.·May 20, 2019SaveLearn
A 2D self-organized percolation model for capillary impregnationA two-dimension extension of the Self-organized Gradient Percolation (SGP) method initially developed for the one-dimensional simulation is proposed. The initialization in the two directions is…Anh Khoa Nguyen, C Trang, E. Blond et al.·May 20, 2019SaveLearn
Leveraging Bayesian Analysis To Improve Accuracy of Approximate ModelsWe focus on improving the accuracy of an approximate model of a multiscale dynamical system that uses a set of parameter-dependent terms to account for the effects of unresolved or neglected dynamics…Balasubramanya T. Nadiga, Chiyu Jiang, Daniel Livescu·May 20, 2019SaveLearn
Exploiting Parallelism on Shared Memory in the QED Particle-in-Cell Code PICADOR with Greedy Load BalancingState-of-the-art numerical simulations of laser plasma by means of the Particle-in-Cell method are often extremely computationally intensive. Therefore there is a growing need for development of…Iosif Meyerov, Sergei Bastrakov, Aleksei Bashinov et al.·May 20, 2019SaveLearn
Large fluctuations in non-ideal coarse-grained systemsUsing the recently introduced Molecular Dynamics Lattice Gas (MDLG) approach, we test fluctuations of coarse-grained quantities. We show that as soon as the system can no longer be considered an…M. Reza Parsa, Alexander J. Wagner·May 18, 2019SaveLearn
Discovery of Algebraic Reynolds-Stress Models Using Sparse Symbolic Regression** This article is published (open-access). ** A novel deterministic symbolic regression method SpaRTA (Sparse Regression of Turbulent Stress Anisotropy) is introduced to infer algebraic stress…Martin Schmelzer, Richard P. Dwight, Paola Cinnella·May 18, 2019SaveLearn
Building nonparametric n-body force fields using Gaussian process regressionConstructing a classical potential suited to simulate a given atomic system is a remarkably difficult task. This chapter presents a framework under which this problem can be tackled, based on the…Aldo Glielmo, Claudio Zeni, Ádám Fekete et al.·May 18, 2019SaveLearn
First fully kinetic three-dimensional simulation of the AWAKE baseline scenarioThe "Advanced Proton Driven Plasma Wakefield Acceleration Experiment" (AWAKE) aims to accelerate leptons via proton-beam-driven wakefield acceleration. It comprises extensive numerical…N. Moschüring, K. V. Lotov, K. Bamberg et al.·May 17, 2019SaveLearn
Excited states with selected CI-QMC: chemically accurate excitation energies and geometriesWe employ quantum Monte Carlo to obtain chemically accurate vertical and adiabatic excitation energies, and equilibrium excited-state structures for the small, yet challenging, formaldehyde and…Monika Dash, Jonas Feldt, Saverio Moroni et al.·May 16, 2019SaveLearn
A multi-prediction implicit scheme for steady state solutions of gas flow in all flow regimesAn implicit multiscale method with multiple macroscopic prediction for steady state solutions of gas flow in all flow regimes is presented. The method is based on the finite volume discrete velocity…Ruifeng Yuan, Chengwen Zhong·May 16, 2019SaveLearn
A multi-physics methodology for four-states of matterWe propose a numerical methodology for the simultaneous numerical simulation of four states of matter; gas, liquid, elastoplastic solids and plasma. The distinct, interacting physical processes are…Louisa Michael, Stephen T. Millmore, Nikolaos Nikiforakis·May 16, 2019SaveLearn
AlphaTwirl: A Python library for summarizing event data into multivariate categorical dataAlphaTwirl is a Python library that summarizes large event data into multivariate categorical data, which can be regarded as generalizations of histograms. The output can be imported as data frames…Tai Sakuma·May 16, 2019SaveLearn
RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulsesRMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization…Andrew Brown, Greg Armstrong, Jakub Benda et al.·May 15, 2019SaveLearn
Neutron Transmission Strain Tomography for Non-Constant Stress-Free Lattice SpacingRecently, several algorithms for strain tomography from energy-resolved neutron transmission measurements have been proposed. These methods assume that the stress-free lattice spacing d0 is a…J. N. Hendriks, C. Jidling, T. B. Schön et al.·May 15, 2019SaveLearn
Protein folding analysis using features obtained by persistent homologyUnderstanding the protein folding process is an outstanding issue in biophysics; recent developments in molecular dynamics simulation have provided insights into this phenomenon. However, the large…Takashi Ichinomiya, Ippei Obayashi, Yasuaki Hiraoka·May 15, 2019SaveLearn
Meso-resolved simulations of shock-to-detonation transition in nitromethane with air-filled cavitiesTwo-dimensional, meso-resolved numerical simulations are performed to investigate the complete shock-to-detonation transition (SDT) process in a mixture of liquid nitromethane (NM) and air-filled,…XiaoCheng Mi, Louisa Michael, Eleftherios Ioannou et al.·May 14, 2019SaveLearn
A High-Order Discontinuous Galerkin Solver with Dynamic Adaptive Mesh Refinement to Simulate Cloud Formation ProcessesWe present a high-order discontinuous Galerkin (DG) solver of the compressible Navier-Stokes equations for cloud formation processes. The scheme exploits an underlying parallelized implementation of…Lukas Krenz, Leonhard Rannabauer, Michael Bader·May 14, 2019SaveLearn
Fluid Structure Interaction modelling using Lattice Boltzmann and Volume Penalization methodThis paper proposes an approach combining the Volume Penalization (VP) and the the Lattice Boltzmann method (LBM) to compute fluid structure interaction involving rigid bodies. The method consists in…Erwan Liberge, Claudine Béghein·May 13, 2019SaveLearn
Enforcing Statistical Constraints in Generative Adversarial Networks for Modeling Chaotic Dynamical SystemsSimulating complex physical systems often involves solving partial differential equations (PDEs) with some closures due to the presence of multi-scale physics that cannot be fully resolved.…Jin-Long Wu, Karthik Kashinath, Adrian Albert et al.·May 13, 2019SaveLearn
A non-empirical free volume viscosity model for alkane lubricants under severe pressuresViscosities η and diffusion coefficients Ds of linear and branched alkanes at high pressures P<0.7 GPa and temperatures T=500-600 K are calculated by equilibrium molecular dynamics.…Kerstin Falk, Daniele Savio, Michael Moseler·May 13, 2019SaveLearn
Synthetic aperture imaging with intensity-only dataWe consider imaging the reflectivity of scatterers from intensity-only data recorded by a single moving transducer that both emits and receives signals, forming a synthetic aperture. By exploiting…Miguel Moscoso, Alexei Novikov, George Papanicolaou et al.·May 13, 2019SaveLearn
A numerical model for the peeling of elastic membranesThe adhesive behaviour of biological attachment structures such as spider web anchorages is usually studied using single or multiple peeling models involving "tapes", i.e. one-dimensional…Daniele Liprandi, Federico Bosia, Nicola M. Pugno·May 12, 2019SaveLearn
A simple self-interaction correction to RPA-like correlation energiesThe random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large…Tim Gould, Adrienn Ruzsinszky, John P. Perdew·May 12, 2019SaveLearn
Particle Density Estimation with Grid-Projected Adaptive KernelsThe reconstruction of smooth density fields from scattered data points is a procedure that has multiple applications in a variety of disciplines, including Lagrangian (particle-based) models of…Guillem Sole-Mari, Diogo Bolster, Daniel Fernàndez-Garcia et al.·May 12, 2019SaveLearn