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The authors have shown in previous contributions that reduced order modeling with optimal cubature applied to finite element square (FE2) techniques results in a reliable and affordable multiscale approach, the HPR-FE2 technique. Such…

数值分析 · 数学 2021-07-20 Marcelo Raschi , Oriol Lloberas-Valls , Alfredo Huespe , Javier Oliver

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET…

化学物理 · 物理学 2017-11-03 Joshua S. Kretchmer , Garnet Kin-Lic Chan

The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…

计算物理 · 物理学 2012-02-20 J. E. Sprittles , Y. D. Shikhmurzaev

This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…

材料科学 · 物理学 2025-12-01 Boyang Gu , Adrian Diaz , Yang Li , Youping Chen

Variational time discretization schemes are getting of increasing importance for the accurate numerical approximation of transient phenomena. The applicability and value of mixed finite element methods (MFEM) in space for simulating…

数值分析 · 数学 2016-12-06 Markus Bause , Florin A. Radu , Uwe Köcher

In this paper we present a fully-coupled, two-scale homogenization method for dynamic loading in the spirit of FE$^2$ methods. The framework considers the balance of linear momentum including inertia at the microscale to capture possible…

计算工程、金融与科学 · 计算机科学 2020-10-20 Erik Tamsen , Daniel Balzani

This paper developes a data-driven magnetostatic finite-element (FE) solver which directly exploits measured material data instead of a material curve constructed from it. The distances between the field solution and the measurement points…

A simulation strategy based in the finite element model was developed to model the corrosion and mechanical properties of biodegradable Mg scaffolds manufactured by laser power bed fusion after immersion in simulated body fluid. Corrosion…

应用物理 · 物理学 2022-01-19 Mohammad Marvi-Mashhadi , Wahaaj Ali , Muzi Li , Carlos González , Javier LLorca

Computer simulations are becoming an essential tool in many scientific fields from molecular dynamics to aeronautics. In glaciology, future predictions of sea level change require input from ice sheet models. Due to uncertainties in the…

We present a phase field-based electro-chemo-mechanical formulation for modelling mechanics-enhanced corrosion and hydrogen-assisted cracking in elastic-plastic solids. A multi-phase-field approach is used to present, for the first time, a…

材料科学 · 物理学 2022-06-22 C. Cui , R. Ma , E. Martínez-Pañeda

We present a new code, RCF("Radiative-Collisional code based on FAC"), which is used to simulate steady-state plasmas under non local thermodynamic equilibrium condition, especially photoinization dominated plasmas. RCF takes almost all of…

原子物理 · 物理学 2015-06-24 Bo Han , Feilu Wang , David Salzmann , Gang Zhao

The direct computation of the third-order normal form for a geometrically nonlinear structure discretised with the finite element (FE) method, is detailed. The procedure allows to define a nonlinear mapping in order to derive accurate…

计算工程、金融与科学 · 计算机科学 2022-05-26 Alessandra Vizzaccaro , Yichang Shen , Loïc Salles , Jiří Blahoš , Cyril Touzé

In this work, we derive a multi-fragment real-time extension of projected density matrix embedding theory (pDMET) designed to treat non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static…

强关联电子 · 物理学 2023-04-19 Dariia Yehorova , Joshua S. Kretchmer

A physics-informed neural network is developed to solve conductive heat transfer partial differential equation (PDE), along with convective heat transfer PDEs as boundary conditions (BCs), in manufacturing and engineering applications where…

机器学习 · 计算机科学 2021-03-29 Navid Zobeiry , Keith D. Humfeld

Numerical simulations of contaminant dispersion, as after a gas leakage incident on a chemical plant, can provide valuable insights for both emergency response and preparedness. Simulation approaches combine incompressible Navier-Stokes…

计算工程、金融与科学 · 计算机科学 2026-03-05 Lisa Kühn , Jacopo Bonari , Max von Danwitz , Alexander Popp

In density-based topology optimization, design variables associated to the boundaries of the design domain require unique treatment to negate boundary effects arising from the filtering technique. An effective approach to deal with…

数值分析 · 数学 2021-01-27 Prabhat Kumar , Eduardo Fernández

Partition of unity methods (PUM) are of domain decomposition type and provide the opportunity for multiscale and multiphysics numerical modeling. Within the PUM global-local enrichment scheme [1, 2] different physical models can exist to…

计算工程、金融与科学 · 计算机科学 2024-05-06 Matthias Birner , Patrick Diehl , Robert Lipton , Marc Alexander Schweitzer

The availability of precise and accurate simulation is a limiting factor for interpreting and forecasting data in many fields of science and engineering. Often, one or more distinct simulation software applications are developed, each with…

高能物理 - 实验 · 物理学 2025-02-19 Moritz Wolf , Lars O. Stietz , Patrick L. S. Connor , Peter Schleper , Samuel Bein

In this work we introduce a novel subsystem-based electronic structure embedding method that combines the projection-based block-orthogonalized Manby-Miller embedding (BOMME) with the density-based Frozen Density Embedding (FDE) methods.…

As a sequel to our previous work [C. Ma, Q. Zhang and W. Zheng, SIAM J. Numer. Anal., 60 (2022)], [C. Ma and W. Zheng, J. Comput. Phys. 469 (2022)], this paper presents a generic framework of arbitrary Lagrangian-Eulerian unfitted finite…

数值分析 · 数学 2024-04-25 Wenhao Lu , Chuwen Ma , Weiying Zheng