A mesh-free method for interface problems using the deep learning approachIn this paper, we propose a mesh-free method to solve interface problems using the deep learning approach. Two interface problems are considered. The first one is an elliptic PDE with a discontinuous…Zhongjian Wang, Zhiwen Zhang·Jan 3, 2019SaveLearn
Vesicle-like structure of lipid-based nanoparticles as drug delivery system revealed by molecular dynamics simulationsLipid-based drug delivery systems are considered as promising vehicles for hydrophobic drug compounds. Lipid distribution within the droplet can affect drug loading capacity in these carriers. It is…Maryam Khalkhali, Sarah Mohammadinejad, Farhad Khoeini et al.·Jan 3, 2019SaveLearn
Thermal transport across grain boundaries in polycrystalline silicene: a multiscale modelingDuring the fabrication process of large scale silicene through common chemical vapor deposition (CVD) technique, polycrystalline films are quite likely to be produced, and the existence of Kapitza…Maryam Khalkhali, Ali Rajabpour, Farhad Khoeini·Jan 3, 2019SaveLearn
Thermal transport in silicene nanotubes: Effects of length, grain boundary and strainThermal transport behavior in silicene nanotubes has become more important due to the application of these promising nanostructures in the engineering of next-generation nanoelectronic devices. We…Maryam Khalkhali, Farhad Khoeini, Ali Rajabpour·Jan 3, 2019SaveLearn
Machine learning materials physics: Deep neural networks trained on elastic free energy data from martensitic microstructures predict homogenized stress fields with high accuracyWe present an approach to numerical homogenization of the elastic response of microstructures. Our work uses deep neural network representations trained on data obtained from direct numerical…K. Sagiyama, K. Garikipati·Jan 2, 2019SaveLearn
Compact Higher-order Gas-kinetic Schemes with Spectral-like Resolution for Compressible Flow SimulationsIn this paper, a class of compact higher-order gas-kinetic schemes (GKS) with spectral resolution will be presented. Based on the high-order gas evolution model in GKS, both the interface flux…Fengxiang Zhao, Xing Ji, Wei Shyy et al.·Jan 2, 2019SaveLearn
Identifying Clusters on a Discrete Periodic Lattice via Machine LearningGiven the ubiquity of lattice models in physics, it is imperative for researchers to possess robust methods for quantifying clusters on the lattice --- whether they be Ising spins or clumps of…Everest Law·Jan 1, 2019SaveLearn
Homogenization of the vibro-acoustic transmission on perforated platesThe paper deals with modelling of acoustic waves which propagate in inviscid fluids interacting with perforated elastic plates. The plate can be replaced by an interface on which transmission…Eduard Rohan, Vladimír Lukeš·Jan 1, 2019SaveLearn
On form invariance of the Kirchhoff-Love plate equationWe propose an alternative approach called backward transformation for the design of platonic cloaks, without resorting to in-plane body forces and pre-stresses, which can lead to unphysical features.…Lucas Pomot, Stephane Bourgeois, Cedric Payan et al.·Jan 1, 2019SaveLearn
Variational system identification of the partial differential equations governing pattern-forming physics: Inference under varying fidelity and noiseWe present a contribution to the field of system identification of partial differential equations (PDEs), with emphasis on discerning between competing mathematical models of pattern-forming physics.…Zhenlin Wang, Xun Huan, Krishna Garikipati·Dec 29, 2018SaveLearn
Optimization Approach in Axisymmetric Problems of Manipulating DC CurrentsInverse problems of electric conductivity are studied that arise in the design of spherical shielding or cloaking shells and other functional devices used to control DC electric fields. The shells…Gennady Alekseev, Dmitry Tereshko, Yury Shestopalov·Dec 29, 2018SaveLearn
Computational nanoplasmonics in the quasistatic limit for biosensing applicationsThis work uses the long-wavelength limit to compute LSPR response of biosensors, expanding the open-source PyGBe code to compute the extinction cross-section of metallic nanoparticles in the presence…Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba·Dec 27, 2018SaveLearn
Self-consistent Force Scheme in the Discrete Boltzmann EquationIn the work of N. Martys et al. [Nicos S. Martys, Xiaowen Shan, Hudong Chen, Phys. Rev. E, Vol. 58, Num.5, 1998 ], a self-consistent force term to any order in the Boltzmann-BKG equation is derived…Xuhui Li, Xiaowen Shan·Dec 27, 2018SaveLearn
A Data-driven Framework for Error Estimation and Mesh-Model Optimization in System-level Thermal-Hydraulic SimulationOver the past decades, several computer codes were developed for simulation and analysis of thermal-hydraulics of system behaviors in nuclear reactors under operating, abnormal transient and accident…Han Bao, Nam Dinh, Jeffrey Lane et al.·Dec 27, 2018SaveLearn
Calculating coherent light-wave propagation in large heterogeneous mediaUnderstanding the interaction of light with a highly scattering material is essential for optical microscopy of optically thick and heterogeneous biological tissues. Ensemble-averaged analytic…Tom Vettenburg, Simon A. R. Horsley, J. Bertolotti·Dec 26, 2018SaveLearn
Theoretical Investigation: 2D N-Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage DevicesN-graphdiyne monolayers, a set of carbon-nitride nanosheets, have been synthesized recently through the polymerization of triazine- and pyrazine-based monomers. Since the two-dimensional…Meysam Makaremi, Bohayra Mortazavi, Timon Rabczuk et al.·Dec 24, 2018SaveLearn
Condensation of laser produced gold plasma during expansion and cooling in water environmentThe ecologically best way to produce nanoparticles (NP) is based on laser ablation in liquid (LAL). In the considered here case the LAL means that a gold target is irradiated through transparent…Yu. V. Petrov, N. A. Inogamov, V. V. Zhakhovsky et al.·Dec 24, 2018SaveLearn
Numerical Equivalence Between SPH and Probabilistic Mass Transfer Methods for Lagrangian Simulation of DispersionSeveral Lagrangian methodologies have been proposed in recent years to simulate advection-dispersion of solutes in fluids as a mass exchange between numerical particles carrying the fluid. In this…Guillem Sole-Mari, Michael J. Schmidt, Stephen D. Pankavich et al.·Dec 21, 2018SaveLearn
SIMPLE code: optical properties with optimal basis functionsWe present SIMPLE, a code developed to calculate optical properties of metallic and insulating extended systems using the optimal basis method originally proposed by E. L. Shirley in 1996. Two…Gianluca Prandini, Mario Galante, Nicola Marzari et al.·Dec 21, 2018SaveLearn
Laser-induced ablation of metal in liquidLaser ablation in liquid (LAL) is important perspective way to compose nanoparticles (NP) necessary for modern technologies. LAL is not fully understood. Deep understanding is necessary to optimize…Yu. V. Petrov, V. A. Khokhlov, V. V. Zhakhovsky et al.·Dec 21, 2018SaveLearn
A universal approach for drainage basinsDrainage basins are essential to Geohydrology and Biodiversity. Defining those regions in a simple, robust and efficient way is a constant challenge in Earth Science. Here, we introduce a model to…Erneson A. Oliveira, Rilder S. Pires, Rubens S. Oliveira et al.·Dec 20, 2018SaveLearn
Dynamic Virtualized Deployment of Particle Physics Environments on a High Performance Computing ClusterThe NEMO High Performance Computing Cluster at the University of Freiburg has been made available to researchers of the ATLAS and CMS experiments. Users access the cluster from external machines…Felix Bührer, Frank Fischer, Georg Fleig et al.·Dec 20, 2018SaveLearn
Targeting GPUs with OpenMP Directives on Summit: A Simple and Effective Fortran ExperienceWe use OpenMP to target hardware accelerators (GPUs) on Summit, a newly deployed supercomputer at the Oak Ridge Leadership Computing Facility (OLCF), demonstrating simplified access to GPU devices…Reuben D. Budiardja, Christian Y. Cardall·Dec 19, 2018SaveLearn
HEP Software Foundation Community White Paper Working Group - Data Processing FrameworksData processing frameworks are an essential part of HEP experiments' software stacks. Frameworks provide a means by which code developers can undertake the essential tasks of physics data…Paolo Calafiura, Marco Clemencic, Hadrien Grasland et al.·Dec 19, 2018SaveLearn
An efficient and accurate MPI based parallel simulator for streamer discharges in three dimensionsIn this paper, we propose an efficient and accurate message-passing interface (MPI)-based parallel simulator for streamer discharges in three dimensions using the fluid model. First, we propose a new…Bo Lin, Chijie Zhuang, Zhenning Cai et al.·Dec 19, 2018SaveLearn