Direct 3D Tomographic Reconstruction and Phase-Retrieval of Far-Field Coherent Diffraction PatternsWe present an alternative numerical reconstruction algorithm for direct tomographic reconstruction of a sample refractive indices from the measured intensities of its far-field coherent diffraction…T. Ramos, Bastian E. Grønager, Martin Skovgaard Andersen et al.·Jul 30, 2018SaveLearn
GDoeSII: Open source software for design of diffractive optical elements and conversion to GDSII lithography filesWe develop an open source software "GDoeSII" for the simulation of Fresnel (near field) and Fraunhofer (far field) diffraction integrals of diffractive optical elements (DOE). It can compute…Raghu Dharmavarapu, Shanti Bhattacharya, Saulius Juodkazis·Jul 30, 2018SaveLearn
Analytical Modeling of a Two-Dimensional Waveguide-Fed MetasurfaceWe develop a fast, accurate, and robust technique to model the electromagnetic response of a two-dimensional (2D) waveguide-fed metasurface aperture. The geometry under consideration consists of a…Laura Pulido-Mancera, Mohammadreza F. Imani, Patrick T. Bowen et al.·Jul 30, 2018SaveLearn
Readable Racetrack Memory via Ferromagnetically Coupled Chiral Domain WallsCurrent-induced motion of domain walls (CIMDW) with interfacial Dzyaloshinskii-Moriya interaction (DMI) in heavy metal (HM)/ferromagnetic (FM) metal multilayers have attracted attention owing to…Maokang Shen, Yue Zhang, Long You et al.·Jul 29, 2018SaveLearn
GPU Based Parallel Ising Computing for Combinatorial Optimization Problems in VLSI Physical DesignIn VLSI physical design, many algorithms require the solution of difficult combinatorial optimization problems such as max/min-cut, max-flow problems etc. Due to the vast number of elements typically…Chase Cook, Hengyang Zhao, Takashi Sato et al.·Jul 27, 2018SaveLearn
Machine learning with observers predicts complex spatiotemporal behaviorChimeras and branching are two archetypical complex phenomena that appear in many physical systems; because of their different intrinsic dynamics, they delineate opposite non-trivial limits in the…G. Neofotistos, M. Mattheakis, G. D. Barmparis et al.·Jul 27, 2018SaveLearn
Computing Curvature for Volume of Fluid Methods using Machine LearningIn spite of considerable progress, computing curvature in Volume of Fluid (VOF) methods continues to be a challenge. The goal is to develop a function or a subroutine that returns the curvature in…Yinghe Qi, Jiacai Lu, Ruben Scardovelli et al.·Jul 27, 2018SaveLearn
New Immersed Boundary Method with Irrotational Discrete Delta Vector for Droplet Simulations with Large Density ratioThe Immersed Boundary Method (IBM) is one of the popular one-fluid mixed Eulerian-Lagrangian methods to simulate motion of droplets. While the treatment of a moving complex boundary is an extremely…Chia Rui Ong, Hiroaki Miura·Jul 27, 2018SaveLearn
Message-passing neural networks for high-throughput polymer screeningMachine learning methods have shown promise in predicting molecular properties, and given sufficient training data machine learning approaches can enable rapid high-throughput virtual screening of…Peter C. St. John, Caleb Phillips, Travis W. Kemper et al.·Jul 26, 2018SaveLearn
Committee machine that votes for similarity between materialsWe developed a method for measuring the similarity between materials, focusing on specific physical properties. The obtained information can be utilized to understand the underlying mechanisms and to…Duong-Nguyen Nguyen, Tien-Lam Pham, Viet-Cuong Nguyen et al.·Jul 26, 2018SaveLearn
A phase field approach to no slip boundary conditions in dissipative particle dynamics and other particle models for fluid flow in geometrically complex confined systemsDissipative particle dynamics (DPD) is an effective mesoscopic particle model with a lower computational cost than molecular dynamics because of the soft potentials that it employs. However, the soft…Zhijie Xu, Paul Meakin·Jul 25, 2018SaveLearn
Thermally Activated Motion of Dislocations in Fields of Obstacles: Effect of Obstacle DistributionThe thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain…Zhijie Xu, Catalin Picu·Jul 25, 2018SaveLearn
Dislocation-Solute Cluster Interaction in Al-Mg Binary AlloysThe close-range interaction of dislocations and solute clusters in the Al-Mg binary system is studied by means of atomistic simulations. We evaluate the binding energy of dislocations to the…Zhijie Xu, Catalin Picu·Jul 25, 2018SaveLearn
Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computationHere is presented an original program based on molecular Schrodinger equations. It is dedicated to target specific states of infrared vibrational spectrum in a very precise way with a minimal usage…Romain Garnier·Jul 25, 2018SaveLearn
A magnetostatic energy formula arising from the L2-orthogonal decomposition of the stray fieldA formula for the magnetostatic energy of a finite magnet is proven. In contrast to common approaches, the new energy identity does not rely on evaluation of a nonlocal boundary integral inside the…Lukas Exl·Jul 23, 2018SaveLearn
Immersed-finite-element method for deformable particle suspensions in viscous and viscoelastic mediaDeformable elastic bodies in viscous and viscoelastic media constitute a large portion of synthetic and biological complex fluids. We present a parallelized 3D-simulation methodology which fully…Amir Saadat, Chris J. Guido, Gianluca Iaccarino et al.·Jul 22, 2018SaveLearn
Computational Challenges and Opportunities of Simulating Cosmic Ray Showers at Global ScaleGalactic cosmic rays are the high-energy particles that stream into our solar system from distant corners of our Galaxy and some low energy particles are from the Sun which are associated with solar…Olesya Sarajlic, Semir Sarajlic, Ting-Cun Wei et al.·Jul 22, 2018SaveLearn
A Hybrid Data-driven Deep Learning Technique for Fluid-Structure InteractionThis paper is concerned with the development of a hybrid data-driven technique for unsteady fluid-structure interaction systems. The proposed data-driven technique combines the deep learning…T. P. Miyanawala, R. K. Jaiman·Jul 20, 2018SaveLearn
cuPentBatch -- A batched pentadiagonal solver for NVIDIA GPUsWe introduce cuPentBatch -- our own pentadiagonal solver for NVIDIA GPUs. The development of cuPentBatch has been motivated by applications involving numerical solutions of parabolic partial…Andrew Gloster, Lennon Ó Náraigh, Khang Ee Pang·Jul 19, 2018SaveLearn
An extending strategy based on TENO framework for hyperbolic conservation lawsRecently, the targeted ENO (TENO) schemes give a novel framework to keep optimal high-order spatial reconstruction wherever discontinuity is deemed to be vanished, including at smooth critical…Fan Zhang, Jun Liu, Huaibao Zhang et al.·Jul 19, 2018SaveLearn
Dictionary Learning in Fourier Transform Scanning Tunneling SpectroscopyModern high-resolution microscopes, such as the scanning tunneling microscope, are commonly used to study specimens that have dense and aperiodic spatial structure. Extracting meaningful information…Sky C. Cheung, John Y. Shin, Yenson Lau et al.·Jul 19, 2018SaveLearn
Solving Many-Electron Schrödinger Equation Using Deep Neural NetworksWe introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schrödinger equation. The Pauli exclusion principle is dealt with explicitly to ensure that…Jiequn Han, Linfeng Zhang, Weinan E·Jul 18, 2018SaveLearn
Positivity-preserving method for multi-resolution simulations of compressible flowsWe present a positivity-preserving method for multi-resolution simulations of compressible flows involving extreme conditions such as near vacuum and strong discontinuities. The novelty of this work…Shuccheng Pan, Xiangyu Hu, Nikolaus Adams·Jul 18, 2018SaveLearn
Diffusion across semi-permeable barriers: spectral properties, efficient computation, and applicationsWe present an efficient method to compute the eigenvalues and eigenmodes of the diffusion operator ∇(D∇) on one-dimensional heterogeneous structures with multiple semi-permeable barriers.…Nicolas Moutal, Denis Grebenkov·Jul 17, 2018SaveLearn
Numerical Solutions of Heat Diffusion Equation Over One Dimensional Rod RegionAdaptive methods for derivation of analytical and numerical solutions of heat diffusion in one dimensional thin rod have investigated. Comperhensive comparsion analysis based on the homotopy…Mehran Makhtoumi·Jul 17, 2018SaveLearn