相关论文: Effectiveness of Multi-Physics Numerical Model in …
In fluid flow simulation, the multi-continuum model is a useful strategy. When the heterogeneity and contrast of coefficients are high, the system becomes multiscale, and some kinds of reduced-order methods are demanded. Combining these…
We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed as enriched finite element (EFE) basis. The EFE basis…
The current state of the art for large-scale quantum-mechanical simulations is the planewave (PW) pseudopotential method, as implemented in codes such as VASP, ABINIT, and many others. However, since the PW method uses a global Fourier…
Environmentally assisted cracking phenomena are widespread across the transport, defence, energy and construction sectors. However, predicting environmentally assisted fractures is a highly cross-disciplinary endeavour that requires…
Motivated by the inadequacy of conducting atomistic simulations of crack propagation using static boundary conditions that do not reflect the movement of the crack tip, we extend Sinclair's flexible boundary condition algorithm [Philos.…
Simulating flow in a highly heterogeneous reservoir with multiscale characteristics could be considerably demanding. To tackle this problem, we propose a numerical scheme coupling the Generalized Multiscale Finite Element Method (GMsFEM)…
In the analysis of composite materials with heterogeneous microstructures, full resolution of the heterogeneities using classical numerical approaches can be computationally prohibitive. This paper presents a micromechanics-enhanced finite…
In this paper, we propose a linear and monolithic finite element method for the approximation of an incompressible viscous fluid interacting with an elastic and deforming plate. We use the arbitrary Lagrangian-Eulerian (ALE) approach that…
Integrated models for fluid-driven fracture propagation and general multiphase flow in porous media are valuable to the study and engineering of several systems, including hydraulic fracturing, underground disposal of waste, and geohazard…
A precise domain triangulation is recognized as indispensable for the accurate numerical approximation of differential operators within collocation methods, leading to a substantial reduction in discretization errors. An efficient finite…
This paper presents a combined numerical-theoretical study of the macroscopic behavior and local field distributions in a special class of two-dimensional periodic composites with viscoplastic phases. The emphasis is on strongly nonlinear…
This study presents a comprehensive framework for constitutive modeling of a frame-invariant fractional-order approach to nonlocal thermoelasticity in solids. For this purpose, thermodynamic and mechanical balance laws are derived for…
We propose a new method for spatio-temporal forecasting on arbitrarily distributed points. Assuming that the observed system follows an unknown partial differential equation, we derive a continuous-time model for the dynamics of the data…
High-fidelity numerical simulations of partial differential equations (PDEs) given a restricted computational budget can significantly limit the number of parameter configurations considered and/or time window evaluated for modeling a given…
This paper presents a new finite element (FE) formulation for liquid shells that is based on an explicit, 3D surface discretization using $C^1$-continuous finite elements constructed from NURBS interpolation. Both displacement-based and…
This article proposes a novel high-performance computing approach for the prediction of the temperature field in powder bed fusion (PBF) additive manufacturing processes. In contrast to many existing approaches to part-scale simulations,…
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…
Understanding stress-strain behavior of asphalt pavement under repetitive traffic loading is of critical importance to predict pavement performance and service life. For viscoelastic materials, the stress-strain relationship can be…
A representative volume element (RVE) based multi-scale method is proposed to investigate the mechanism of fatigue crack propagation by the molecular dynamics (MD) and the extended finite element methods(XFEM) in this study. An atomic model…
Accurate models of precipitation kinetics are essential to control and design structural materials. These models are highly sensitive to the thermodynamic description of precipitates. We use atomistic simulations of a model Fe-Cr system to…