Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities

MA Zaeem, S Thomas, S Kavousi, N Zhang… - 2D …, 2024 - iopscience.iop.org
This article provides an overview of recent advances, challenges, and opportunities in
multiscale computational modeling techniques for study and design of two-dimensional (2D) …

A review of continuous modeling of periodic pattern formation with modified phase-field crystal models

I Starodumov, V Ankudinov, I Nizovtseva - The European Physical Journal …, 2022 - Springer
The phase-field crystal (PFC) method is known as a relatively new continuum approach for
describing the microstructural dynamics of materials during structural and phase transitions …

A unified field theory of topological defects and non-linear local excitations

V Skogvoll, J Rønning, M Salvalaglio… - npj Computational …, 2023 - nature.com
Topological defects and smooth excitations determine the properties of systems showing
collective order. We introduce a generic non-singular field theory that comprehensively …

A new Allen–Cahn type two-model phase-field crystal model for fcc ordering and its numerical approximation

Q Li, N Cui, S Zheng, L Mei - Applied Mathematics Letters, 2022 - Elsevier
In this paper, we derive a new Allen–Cahn type two-model phase-field crystal model based
on the conserved L 2-gradient flow approach to describe the face-centered-cubic (fcc) …

Hydrodynamic phase field crystal approach to interfaces, dislocations, and multi-grain networks

V Skogvoll, M Salvalaglio… - Modelling and Simulation …, 2022 - iopscience.iop.org
We derive a phase field crystal model that couples the diffusive evolution of a microscopic
structure with the fast dynamics of a macroscopic velocity field, explicitly accounting for the …

Traveling waves of the solidification and melting of cubic crystal lattices

V Ankudinov, KR Elder, PK Galenko - Physical Review E, 2020 - APS
Using the phase field crystal model (PFC model), an analysis of slow and fast dynamics of
solid-liquid interfaces in solidification and melting processes is presented. Dynamical …

Efficient and energy stable numerical schemes for the two-mode phase field crystal equation

F Zhang, D Li, HW Sun - Journal of Computational and Applied …, 2023 - Elsevier
In this paper, we propose four time marching schemes for the two-mode phase field crystal
equation with the periodic boundary condition. The first-and second-order schemes are …

Structure diagram and dynamics of formation of hexagonal boron nitride in phase-field crystal model

V Ankudinov, PK Galenko - Philosophical Transactions of …, 2022 - royalsocietypublishing.org
The phase-field crystal (PFC-model) is a powerful tool for modelling of the crystallization in
colloidal and metallic systems. In the present work, the modified hyperbolic phase-field …

Stress in ordered systems: Ginzburg-Landau-type density field theory

V Skogvoll, A Skaugen, L Angheluta - Physical Review B, 2021 - APS
We present a theoretical method for deriving the stress tensor and elastic response of
ordered systems within a Ginzburg-Landau-type density field theory in the linear regime …

Growth of different faces in a body centered cubic lattice: A case of the phase-field-crystal modeling

V Ankudinov, PK Galenko - Journal of Crystal Growth, 2020 - Elsevier
Interface energy and kinetic coefficient of crystal growth strongly depend on the face of the
crystalline lattice. To investigate the kinetic anisotropy and velocity of different …