Industrial application of numerical models for aluminium extrusionThis study presents the numerical models used for the simulation of the large viscoplastic deformations that aluminium undergoes during the extrusion process in order to obtain industrial profiles.…Juan M. Torres Zanardi, Ana Scarabino, Federico Bacchi et al.·Jun 24, 2022SaveLearn
Computing diffraction anomalies as nonlinear eigenvalue problemsWhen a plane electromagnetic wave impinges upon a diffraction grating or other periodic structures, reflected and transmitted waves propagate away from the structure in different radiation channels.…Zitao Mai, Ya Yan Lu·Jun 24, 2022SaveLearn
Massively-Parallel Lagrangian Particle Code and ApplicationsMassively-parallel, distributed-memory algorithms for the Lagrangian particle hydrodynamic method [R. Samulyak, X. Wang, H.-C. Chen, Lagrangian particle method for compressible fluid dynamics, J.…Shaohua Yuan, Mario Zepeda Aguilar, Nizar Naitlho et al.·Jun 23, 2022SaveLearn
Multiscale nanoindentation modeling of concentrated solid solutions: A continuum plasticity modelRecently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice.…K. Frydrych, F. J. Dominguez-Gutierrez, M. J. Alava et al.·Jun 23, 2022SaveLearn
sparse-ir: optimal compression and sparse sampling of many-body propagatorsWe introduce sparse-ir, a collection of libraries to efficiently handle imaginary-time propagators, a central object in finite-temperature quantum many-body calculations. We leverage two concepts:…Markus Wallerberger, Samuel Badr, Shintaro Hoshino et al.·Jun 23, 2022SaveLearn
Contextual Isotope Ranking Criteria for Peak Identification in Gamma Spectroscopy Using a Large DatabaseIsotope identification is a recurrent problem in gamma spectroscopy with high purity germanium detectors. In this work, new strategies are introduced to facilitate this type of analysis. Five…Alexis Aguilar-Arevalo, Xavier Bertou, Carles Canet et al.·Jun 23, 2022SaveLearn
Bayesian model calibration for block copolymer self-assembly: Likelihood-free inference and expected information gain computation via measure transportWe consider the Bayesian calibration of models describing the phenomenon of block copolymer (BCP) self-assembly using image data produced by microscopy or X-ray scattering techniques. To account for…Ricardo Baptista, Lianghao Cao, Joshua Chen et al.·Jun 22, 2022SaveLearn
A multigrid solver for the coupled pressure-temperature equations in an all-Mach solver with VoFWe present a generalisation of the all-Mach solver of Fuster & Popinet (2018) to account for heat diffusion between two different compressible phases. By solving a two-way coupled system of equations…Youssef Saade, Detlef Lohse, Daniel Fuster·Jun 22, 2022SaveLearn
Physics-informed machine learning with differentiable programming for heterogeneous underground reservoir pressure managementAvoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are…Aleksandra Pachalieva, Daniel O'Malley, Dylan Robert Harp et al.·Jun 21, 2022SaveLearn
Excellent thermoelectric performance and impressive optoelectronic properties of Janus monolayer of ZrXY(X=O, S) (Y=S, Se)Lower-dimensional TMDC materials are suitable for thermoelectric applications for their specific quantum confinement and being distinct in the density of states (DOS). Here we investigated…Chayan Das, Atanu Betal, Jayanta Bera et al.·Jun 17, 2022SaveLearn
Not-Quite Transcendental Functions and their ApplicationsTranscendental functions, such as exponentials and logarithms, appear in a broad array of computational domains: from simulations in curvilinear coordinates, to interpolation, to machine learning.…Jonah M. Miller, Joshua C. Dolence, Daniel Holladay·Jun 17, 2022SaveLearn
A common lines approach for ab-initio modeling of molecules with tetrahedral and octahedral symmetryA main task in cryo-electron microscopy single particle reconstruction is to find a three-dimensional model of a molecule given a set of its randomly oriented and positioned noisy projection-images.…Adi Shasha Geva, Yoel Shkolnisky·Jun 17, 2022SaveLearn
Morphological evolution via surface diffusion learned by convolutional, recurrent neural networks: extrapolation and prediction uncertaintyWe use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations.…Daniele Lanzoni, Marco Albani, Roberto Bergamaschini et al.·Jun 16, 2022SaveLearn
Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potentialPhosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet phosphorene…Penghua Ying, Ting Liang, Ke Xu et al.·Jun 16, 2022SaveLearn
Sample generation for the spin-fermion model using neural networksQuantum Monte-Carlo simulations of hybrid quantum-classical models such as the double exchange Hamiltonian require calculating the density of states of the quantum degrees of freedom at every step.…Georgios Stratis, Phillip Weinberg, Tales Imbiriba et al.·Jun 15, 2022SaveLearn
Nonlinear input feature reduction for data-based physical modelingThis work introduces a novel methodology to derive physical scalings for input features from data. The approach developed in this article relies on the maximization of mutual information to derive…Samir Beneddine·Jun 15, 2022SaveLearn
Efficient variable cell shape geometry optimizationA fast and reliable geometry optimization algorithm is presented that optimizes atomic positions and lattice vectors simultaneously. Using a series of benchmarks, it is shown that the method…Moritz Gubler, Marco Krummenacher, Hannes Huber et al.·Jun 15, 2022SaveLearn
Molecular Dynamics Simulations of Mutual Space-Charge Effect between Planar Field EmittersMolecular dynamics simulations, with full Coulomb interaction and self-consistent field emission, are used to examine mutual space-charge interactions between beams originating from several emitter…Hakon Valur Haraldsson, Kristinn Torfason, Andrei Manolescu et al.·Jun 14, 2022SaveLearn
A generalized nonlinear Schr\"odinger Python module implementing different models of input pulse quantum noiseWe provide Python tools enabling numerical simulation and analysis of the propagation dynamics of ultrashort laser pulses in nonlinear waveguides. The modeling approach is based on the widely used…O. Melchert, A. Demircan·Jun 13, 2022SaveLearn
Reducing the reflection error of PML absorbing boundary conditions within a generalized Maxwell-Bloch frameworkWe demonstrate a full-wave numerical Maxwell-Bloch simulation tool including perfectly matched layer (PML) absorbing boundary conditions. To avoid detrimental reflection errors at the boundary of the…Johannes Popp, Lukas Seitner, Michael Haider et al.·Jun 9, 2022SaveLearn
Solving Non-local Fokker-Planck Equations by Deep LearningPhysics-informed neural networks (PiNNs) recently emerged as a powerful solver for a large class of partial differential equations under various initial and boundary conditions. In this paper, we…Senbao Jiang, Xiaofan Li·Jun 7, 2022SaveLearn
Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated HamiltonianWith a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single…Hongjun Luo, Ali Alavi·Jun 7, 2022SaveLearn
Parallel Computation of Inverse Compton Scattering Radiation Spectra based on Li\'enard-Wiechert PotentialsInverse Compton Scattering (ICS) has gained much attention recently because of its promise for the development of table-top-size X-ray light sources. Precise and fast simulation is an indispensable…Yi-Kai Kan, Franz X. Kärtner, Sabine Le Borne et al.·Jun 7, 2022SaveLearn
Machine Learning-based models in particle-in-cell codes for advanced physics extensionsIn this paper we propose a methodology for the efficient implementation of Machine Learning (ML)-based methods in particle-in-cell (PIC) codes, with a focus on Monte-Carlo or statistical extensions…Chiara Badiali, Pablo J. Bilbao, Fábio Cruz et al.·Jun 6, 2022SaveLearn
Relativistic Space-Charge Field Calculation by Interpolation-Based TreecodeSpace-charge effects are of great importance in particle accelerator physics. In the computational modeling, tree-based methods are increasingly used because of their effectiveness in handling…Yi-Kai Kan, Franz X. Kärtner, Sabine Le Borne et al.·Jun 6, 2022SaveLearn