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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…