Research of interaction processes of fast and thermal neutrons with solution of methyl orange organic dyeThe processes of neutron fluxes interaction with an aqueous solution of methyl orange organic dye have been investigated. The work was carried out on a LINAC LUE-300 at NSC KIPT. A set of tungsten…Sergey P. Gokov, Yuri G. Kazarinov, Sergiy A. Kalenik et al.·Jan 4, 2022SaveLearn
Architectural improvements and technological enhancements for the APEnet+ interconnect systemThe APEnet+ board delivers a point-to-point, low-latency, 3D torus network interface card. In this paper we describe the latest generation of APEnet NIC, APEnet v5, integrated in a PCIe Gen3 board…R. Ammendola, A. Biagioni, O. Frezza et al.·Jan 4, 2022SaveLearn
Super-resolution in Molecular Dynamics Trajectory Reconstruction with Bi-Directional Neural NetworksMolecular dynamics simulations are a cornerstone in science, allowing to investigate from the system's thermodynamics to analyse intricate molecular interactions. In general, to create extended…Ludwig Winkler, Klaus-Robert Müller, Huziel E. Sauceda·Jan 2, 2022SaveLearn
Optimal control of nonequilibrium systems through automatic differentiationControlling the evolution of nonequilibrium systems to minimize dissipated heat or work is a key goal for designing nanodevices, both in nanotechnology and biology. Progress in computing optimal…Megan C. Engel, Jamie A. Smith, Michael P. Brenner·Jan 1, 2022SaveLearn
An Interface-Driven Adaptive Variational Procedure for Fully Eulerian Fluid-Structure Interaction via Phase-field ModelingIn this paper, we present a novel interface-driven adaptive variational procedure using a fully Eulerian description of fluid-structure interaction. The proposed fully-Eulerian procedure involves a…Biswajeet Rath, Xiaoyu Mao, Rajeev K. Jaiman·Dec 31, 2021SaveLearn
Length-gauge optical matrix elements in WIEN2kHybrid exchange-correlation functionals provide superior electronic structure and optical properties of semiconductors or insulators as compared to semilocal exchange-correlation potentials due to…Oleg Rubel, Peter Blaha·Dec 30, 2021SaveLearn
An unstructured CD-grid variational formulation for sea ice dynamicsFor the numerical simulation of earth system models, Arakawa grids are largely employed. A quadrilateral mesh is assumed for their classical definition, and different types of grids are identified…Giacomo Capodaglio, Mark R. Petersen, Adrian K. Turner et al.·Dec 30, 2021SaveLearn
DeePN2: A deep learning-based non-Newtonian hydrodynamic modelA long standing problem in the modeling of non-Newtonian hydrodynamics of polymeric flows is the availability of reliable and interpretable hydrodynamic models that faithfully encode the underlying…Lidong Fang, Pei Ge, Lei Zhang et al.·Dec 29, 2021SaveLearn
Gradient Descent Optimization of Fermion Nodes in Diffusion Monte CarloWe present a method for optimizing the location of the fermion ground-state nodes using a combination of diffusion Monte Carlo (DMC) and projected gradient descent (PGD). A PGD iteration shifts the…John McFarland, Efstratios Manousakis·Dec 28, 2021SaveLearn
On Boundary Conditions for Lattice Kinetic Schemes for Magnetohydrodynamics Bounded by Walls with Finite Electrical ConductivitiesMagnetohydrodynamic (MHD) flow of liquid metals through conduits play an important role in the proposed systems for harnessing fusion energy, and various other engineering and scientific problems.…Eman Yahia, Kannan Premnath·Dec 27, 2021SaveLearn
Abnormally High Thermal Conductivity in Fivefold Twinned Diamond NanowiresFivefold twins (5FTs), discovered nearly 200 years ago, are a common multiply twinned structure that usually dramatically deteriorate the thermal transport properties of nanomaterials. Here, we…Ting Liang, Ke Xu, Meng Han et al.·Dec 27, 2021SaveLearn
A Novel Algorithm to Solve for an Underwater Line Source Sound Field Based on Coupled Modes and a Spectral MethodA high-precision numerical sound field is the basis of underwater target detection, positioning and communication. A line source in a plane is a common type of sound source in computational ocean…Houwang Tu, Yongxian Wang, Chunmei Yang et al.·Dec 27, 2021SaveLearn
Transition between growth of dense and porous films: Theory of dual-layer SEIThe formation of passivating films is a common aging phenomenon, for example in weathering of rocks, silicon, and metals. In many cases, a dual-layer structure with a dense inner and a porous outer…Lars von Kolzenberg, Martin Werres, Jonas Tetzloff et al.·Dec 23, 2021SaveLearn
The role of delay-times in delay-based Photonic Reservoir ComputingDelay-based reservoir computing has gained a lot of attention due to the relative simplicity with which this concept can be implemented in hardware. However,there is still an misconception about the…Tobias Hülser, Felix Köster, Lina Jaurigue et al.·Dec 22, 2021SaveLearn
Modeling and experimental research of the processes of radiation damage formation in the interaction of gamma quanta flows and relativistic electron beams with solution of organic dyesThe processes of interaction of an aqueous solution of methylene blue (MB) organic dye (C16H18N3SCl ) with gamma quanta and electrons have been investigated. A model has been developed,…S. P. Gokov, Yu. G. Kazarinov, S. A. Kalenik et al.·Dec 21, 2021SaveLearn
Ballooning in Spiders using Multiple Silk ThreadsIn this paper, three-dimensional numerical simulations of ballooning in spiders using multiple silk threads are performed using the discrete elastic rods method. The ballooning of spiders is…Charbel Habchi, Mohammad Khalid Jawed·Dec 21, 2021SaveLearn
Efficient method for accelerating line searches using a combined Schur complement domain decomposition and Born series expansions in photonic-based adjoint optimizationA line search in gradient-based optimization algorithm solves the problem of determining the optimal learning rate for a given gradient or search direction in a single iteration. For most problems,…Nathan Zhao, Salim Boutami, Shanhui Fan·Dec 21, 2021SaveLearn
Exploring the robust extrapolation of high-dimensional machine learning potentialsWe show that, contrary to popular assumptions, predictions from machine learning potentials built upon high-dimensional atom-density representations almost exclusively occur in regions of the…Claudio Zeni, Andrea Anelli, Aldo Glielmo et al.·Dec 20, 2021SaveLearn
Role of Interlayer Coupling in the Second Harmonic Generation of Bilayer Transition-metal DichalcogenidesLittle is known about the role of weak interlayer coupling in the second harmonic generation (SHG) effects of two-dimensional van der Waals (vdW) systems. In this article, taking homo-bilayer…Xiao Jiang, Lei Kang, Bing Huang·Dec 19, 2021SaveLearn
Neural Born Iteration Method For Solving Inverse Scattering Problems: 2D CasesIn this paper, we propose the neural Born iterative method (NeuralBIM) for solving 2D inverse scattering problems (ISPs) by drawing on the scheme of physics-informed supervised residual learning…Tao Shan, Zhichao Lin, Xiaoqian Song et al.·Dec 18, 2021SaveLearn
Extension of the Spectral Difference method to combustionA Spectral Difference (SD) algorithm on tensor-product elements which solves the reacting compressible Navier-Stokes equations (NSE) is presented. The classical SD algorithm is shown to be unstable…Thomas Marchal, Hugues Deniau, Jean-François Boussuge et al.·Dec 17, 2021SaveLearn
High-throughput Discovery and Intelligent Design of 2D Functional Materials for Various ApplicationsNovel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices.…Lei Shen, Jun Zhou, Tong Yang et al.·Dec 17, 2021SaveLearn
Large Scale Distributed Linear Algebra With Tensor Processing UnitsWe have repurposed Google Tensor Processing Units (TPUs), application-specific chips developed for machine learning, into large-scale dense linear algebra supercomputers. The TPUs' fast inter-core…Adam G. M. Lewis, Jackson Beall, Martin Ganahl et al.·Dec 16, 2021SaveLearn
On the accuracy and performance of the lattice Boltzmann method with 64-bit, 32-bit and novel 16-bit number formatsFluid dynamics simulations with the lattice Boltzmann method (LBM) are very memory-intensive. Alongside reduction in memory footprint, significant performance benefits can be achieved by using FP32…Moritz Lehmann, Mathias J. Krause, Giorgio Amati et al.·Dec 16, 2021SaveLearn
Single-step transmission matrix retrieval for fast imaging through multi-mode fibersRecovering the transmission matrix of a disordered medium is a challenging problem in disordered photonics. Usually, its reconstruction relies on a complex inversion that aims at connecting a…Daniele Ancora, Lorenzo Dominici, Antonio Gianfrate et al.·Dec 16, 2021SaveLearn