Aligning Active Particles Py PackageThe package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one…Rüdiger Kürsten·Nov 28, 2022SaveLearn
Dynamic surface tension of the pure liquid-vapor interface subjected to the cyclic loadsWe demonstrate a methodology for computationally investigating the mechanical response of a pure molten lead surface system to the lateral mechanical cyclic loads and try to answer the question: how…Zhiyong Yu, Songtai Lv, Xin Zhang et al.·Nov 27, 2022SaveLearn
Enumeration of Moire Patterns of a Hexagonal Twisted Bilayer and Intercalated Transition Metals in Twisted h-BNA real-space method using generating integers is used to classify the possible moire patterns for two equal hexagonal lattices. The result is that the rotations that take (n,m) to (m,n) with n,m…Matthew Ciesler, Damien West, Shengbai Zhang·Nov 26, 2022SaveLearn
Bulk-plasmon-mediated free-electron radiation beyond the conventional formation timeFree-electron radiation is a fundamental photon emission process that is induced by fast-moving electrons interacting with optical media. Historically, it has been understood that, just like any…Fuyang Tay, Xiao Lin, Xihang Shi et al.·Nov 25, 2022SaveLearn
Monitoring of water volume in a porous reservoir using seismic data: A 3D simulation studyA potential framework to estimate the volume of water stored in a porous storage reservoir from seismic data is neural networks. In this study, the man-made groundwater reservoir is modeled as a…Mahnaz Khalili, Peter Göransson, Jan S. Hesthaven et al.·Nov 25, 2022SaveLearn
Extending MadFlow: device-specific optimizationIn this proceedings we demonstrate some advantages of a top-bottom approach in the development of hardware-accelerated code. We start with an autogenerated hardware-agnostic Monte Carlo generator,…Stefano Carrazza, Juan M. Cruz-Martinez, Gabriele Palazzo·Nov 25, 2022SaveLearn
Learning Feynman Diagrams using Graph Neural NetworksIn the wake of the growing popularity of machine learning in particle physics, this work finds a new application of geometric deep learning on Feynman diagrams to make accurate and fast matrix…Harrison Mitchell, Alexander Norcliffe, Pietro Liò·Nov 25, 2022SaveLearn
Nanoporous Structure of Sintered Metal Powder Heat Exchanger in Dilution Refrigeration: A Numerical StudyWe use LAMMPS to randomly pack hard spheres to simulate the heat exchanger, where the hard spheres represent sintered metal particles in the heat exchanger. We simulated the heat exchanger under…Xiaomin Wu, Yi Liao, Jinxin Zhong et al.·Nov 24, 2022SaveLearn
Laser Pulse Duration Optimization With Numerical MethodsIn this study we explore the optimization of laser pulse duration to obtain the shortest possible pulse. We do this by employing a feedback loop between a pulse shaper and pulse duration…Francesco Capuano, Davorin Peceli, Gabriele Tiboni et al.·Nov 23, 2022SaveLearn
Gradient Information and Regularization for Gene Expression Programming to Develop Data-Driven Physics Closure ModelsLearning accurate numerical constants when developing algebraic models is a known challenge for evolutionary algorithms, such as Gene Expression Programming (GEP). This paper introduces the concept…Fabian Waschkowski, Haochen Li, Abhishek Deshmukh et al.·Nov 22, 2022SaveLearn
Ultrafast Charge Transfer Enhancement in CdS-MoS2 via Linker MoleculeHybrid systems, which take advantage of low material dimensionality, have great potential for designing nanoscale devices. Quantum dots (QDs) -- a 0D nanostructure -- can be combined with 2D…Matthew Ciesler, Han Wang, Shengbai Zhang et al.·Nov 22, 2022SaveLearn
Neural tangent kernel analysis of PINN for advection-diffusion equationPhysics-informed neural networks (PINNs) numerically approximate the solution of a partial differential equation (PDE) by incorporating the residual of the PDE along with its initial/boundary…M. H. Saadat, B. Gjorgiev, L. Das et al.·Nov 21, 2022SaveLearn
Numerical issues of the two-dimensional Dirac equationThe two-dimensional Dirac equation has been widely used in graphene physics, the surface of topological insulators, and especially quantum scarring. Although a numerical approach to tackling an…Jiale Sun, Xiaoshui Lin·Nov 20, 2022SaveLearn
Hybrid Auxiliary Field Quantum Monte Carlo for Molecular SystemsWe propose a quantum Monte Carlo approach to solve the ground state many-body Schrodinger equation for the electronic ground state. The method combines optimization from variational Monte Carlo and…Yixiao Chen, Linfeng Zhang, Weinan E et al.·Nov 19, 2022SaveLearn
C-A test of DNA force fieldsThe DNA duplex may be locally strongly bent in complexes with proteins, for example, with polymerases or in a nucleosome. At such bends, the DNA helix is locally in the non-canonical forms A (with a…Ivan A. Strelnikov, Natalya A. Kovaleva, Artem P. Klinov et al.·Nov 19, 2022SaveLearn
A Conservative Cartesian Cut Cell Method for the Solution of the Incompressible Navier-Stokes Equations on Staggered MeshesThe treatment of complex geometries in Computational Fluid Dynamics applications is a challenging endeavor, which immersed boundary and cut-cell techniques can significantly simplify by alleviating…Alejandro Quirós Rodríguez, Tomas Fullana, Vincent Le Chenadec et al.·Nov 19, 2022SaveLearn
Modified steady discrete unified gas kinetic scheme for multiscale radiative heat transferIn this work, a steady discrete unified gas kinetic scheme (SDUGKS) is proposed to solve the steady radiative transfer equation (RTE), which is an improvement of the original SDUGKS [X. F. Zhou et…Xinliang Song, Yue Zhang, Xiafeng Zhou et al.·Nov 19, 2022SaveLearn
Deep-learning electronic-structure calculation of magnetic superstructuresAb initio study of magnetic superstructures (e.g., magnetic skyrmion) is indispensable to the research of novel materials but bottlenecked by its formidable computational cost. For solving the…He Li, Zechen Tang, Xiaoxun Gong et al.·Nov 19, 2022SaveLearn
Analytic preconditioners for decoupled potential integral equations and wideband analysis of scattering from PEC objectsMany integral equations used to analyze scattering, such as the standard combined field integral equation (CFIE), are not well-conditioned for a wide range of frequencies and multi-scale geometries.…J. A. Hawkins, L. Baumann, H. M. Aktulga et al.·Nov 19, 2022SaveLearn
Is there a one-to-one correspondence between interparticle interactions and physical properties of liquid?In this study, we present the original method for reconstructing the potential of interparticle interaction from statistically averaged structural data, namely, the radial distribution function of…Anatolii V. Mokshin, Roman A. Khabibullin·Nov 19, 2022SaveLearn
An Energy-Conserving Fourier Particle-in-Cell Method with Asymptotic-Preserving Preconditioner for Vlasov-Amp\`ere System with Exact Curl-Free ConstraintWe present an efficient and accurate energy-conserving implicit particle-in-cell~(PIC) algorithm for the electrostatic Vlasov system, with particular emphasis on its high robustness for simulating…Zhuoning Li, Zhenli Xu, Zhiguo Yang·Nov 18, 2022SaveLearn
Fast Uncertainty Estimates in Deep Learning Interatomic PotentialsDeep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is…Albert Zhu, Simon Batzner, Albert Musaelian et al.·Nov 17, 2022SaveLearn
Multislice forward modeling of Coherent Surface Scattering Imaging on surface and interfacial structuresTo study nanostructures on substrates, surface-sensitive reflection-geometry scattering techniques such as grazing incident small angle x-ray scattering are commonly used to yield an averaged…Peco Myint, Miaoqi Chu, Ashish Tripathi et al.·Nov 17, 2022SaveLearn
Elucidating the thermal spike effect by using a coupled classical oscillator modelAtomic heating is a fundamental phenomenon governed by the thermal spike effect during energetic deposition. This work presented another insight into thermal spike using a coupled classical…Jiajian Guan, Yue He, Bin Liao et al.·Nov 17, 2022SaveLearn
RelaxNet: A structure-preserving neural network to approximate the Boltzmann collision operatorThis paper addresses a neural network-based surrogate model that provides a structure-preserving approximation for the fivefold collision integral. The notion originates from the similarity in…Tianbai Xiao, Martin Frank·Nov 15, 2022SaveLearn