相关论文: An efficient numerical framework for the amplitude…

Numerical simulations of brittle fracture using phase-field approaches often employ a discrete approximation framework that applies the same order of interpolation for the displacement and phase-field variables. Most common is to use linear…

Phase field crystal (PFC) theory, extensively used for modelling the structure of solids, can be derived from dynamical density functional theory (DDFT) via a sequence of approximations. Standard derivations neglect a term of form…

This work addresses differences in predicted elastic fields created by dislocations either by the Phase Field Crystal (PFC) model, or by static Field Dislocation Mechanics (FDM). The PFC order parameter describes the topological content of…

Lattice models parameterized using first-principles calculations constitute an effective framework to simulate the thermodynamic behavior of physical systems. The cluster expansion method is a flexible lattice-based method used extensively…

We study the phase diagram and the commensurate-incommensurate transitions in a phase field model of a two-dimensional crystal lattice in the presence of an external pinning potential. The model allows for both elastic and plastic…

The finite element analysis of high frequency vibrations of quartz crystal plates is a necessary process required in the design of quartz crystal resonators of precision types for applications in filters and sensors. The anisotropic…

The phase-amplitude framework extends the classical phase reduction method by incorporating amplitude coordinates (or isostables) to describe transient dynamics transverse to the limit cycle in a simplified form. While the full set of…

In the present work, the evolution of damage in periodic composite materials is investigated through a novel finite element-based multiscale computational approach. The methodology is developed by means of the original combination of…

We consider adaptive finite element methods for solving a multiscale system consisting of a macroscale model comprising a system of reaction-diffusion partial differential equations coupled to a microscale model comprising a system of…

The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, atoms, molecules, and solids. Here we introduce the theory and…

In this work, we extend the recently proposed adaptive phase field method to model fracture in orthotropic functionally graded materials (FGMs). A recovery type error indicator combined with quadtree decomposition is employed for adaptive…

In this paper, we construct efficient schemes based on the scalar auxiliary variable (SAV) block-centered finite difference method for the modified phase field crystal (MPFC) equation, which is a sixth-order nonlinear damped wave equation.…

The formation of microstructures in metallic alloys during hot metal forming involves simultaneous metallurgical complex phenomena. Traditional high-fidelity numerical frameworks used on the polycrystalline scale tend to focus on…

In this paper we present two unconditionally energy stable finite difference schemes for the Modified Phase Field Crystal (MPFC) equation, a sixth-order nonlinear damped wave equation, of which the purely parabolic Phase Field Crystal (PFC)…

This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…

In this paper we propose and analyze an energy stable numerical scheme for the square phase field crystal (SPFC) equation, a gradient flow modeling crystal dynamics at the atomic scale in space but on diffusive scales in time. In…

The favored phase field method (PFM) has encountered challenges in the finite strain fracture modeling of nearly or truly incompressible hyperelastic materials. We identified that the underlying cause lies in the innate contradiction…

We propose a new method based on variational principle for analysis of photonic crystal (PC) slabs. Most of the methods used today treat PC slab as a three-dimensional (3D) crystal and this makes them very time and/or memory consuming. In…

The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible…

In this work, a recently proposed high-cycle fatigue cohesive zone model, which covers crack initiation and propagation with limited input parameters, is embedded in a robust and efficient numerical framework for simulating progressive…