Classical dynamical density functional theory: from fundamentals to applications
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …
statistical mechanics. It is an extension of the highly successful method of classical density …
Recent advances in binary colloidal crystals for photonics and porous material fabrication
Z Zhang, G Yi, P Li, X Zhang, Z Wan… - The Journal of …, 2021 - ACS Publications
In the past few years, binary colloidal crystals (BCCs) composed of both large and small
particles have attracted considerable attention from the scientific community as an exciting …
particles have attracted considerable attention from the scientific community as an exciting …
Derivation and analysis of a phase field crystal model for a mixture of active and passive particles
M te Vrugt, MP Holl, A Koch… - … and Simulation in …, 2022 - iopscience.iop.org
We discuss an active phase field crystal (PFC) model that describes a mixture of active and
passive particles. First, a microscopic derivation from dynamical density functional theory is …
passive particles. First, a microscopic derivation from dynamical density functional theory is …
Numerical approximation of the two-component PFC models for binary colloidal crystals: efficient, decoupled, and second-order unconditionally energy stable …
Q Li, L Mei - Journal of Scientific Computing, 2021 - Springer
In this paper, we consider numerical approximations for the two-component PFC models for
binary colloidal crystals. In addition to the Cahn–Hilliard type two-component PFC model …
binary colloidal crystals. In addition to the Cahn–Hilliard type two-component PFC model …
Atomic scale formation mechanism of the Amorphous-Nanocrystalline biphase structure in TiSiN Coating: Phase field crystal simulation and experimental …
Z Liu, H Zapolsky, S Tang, R Patte, H Mao, Y Du… - Applied Surface …, 2024 - Elsevier
TiSiN nanocomposite coatings have exceptional strength, toughness, and corrosion
resistance due to their unique biphase amorphous/nanocrystalline structure with tiny TiN …
resistance due to their unique biphase amorphous/nanocrystalline structure with tiny TiN …
Dynamic scaling of out-of-plane fluctuations in freestanding graphene
We study the dynamical behavior of the mean-square displacement of height fluctuations of
freestanding graphene using a phase-field-crystal model introduced recently. We find that …
freestanding graphene using a phase-field-crystal model introduced recently. We find that …
Efficient calculation of phase coexistence and phase diagrams: application to a binary phase-field-crystal model
We show that one can employ well-established numerical continuation methods to efficiently
calculate the phase diagram for thermodynamic systems described by a suitable free energy …
calculate the phase diagram for thermodynamic systems described by a suitable free energy …
Modeling buckling and topological defects in stacked two-dimensional layers of graphene and hexagonal boron nitride
In this paper, a two-dimensional phase field crystal model of graphene and hexagonal boron
nitride (hBN) is extended to include out-of-plane deformations in stacked multilayer systems …
nitride (hBN) is extended to include out-of-plane deformations in stacked multilayer systems …
Control of phase ordering and elastic properties in phase field crystals through three-point direct correlation
ZL Wang, Z Liu, W Duan, ZF Huang - Physical Review E, 2022 - APS
Effects of three-point direct correlation on properties of the phase field crystal (PFC)
modeling are examined for the control of various ordered and disordered phases and their …
modeling are examined for the control of various ordered and disordered phases and their …
Grain rotation and coupled grain boundary motion in two-dimensional binary hexagonal materials
B Waters, ZF Huang - Acta Materialia, 2022 - Elsevier
The dynamical mechanisms underlying the grain evolution and growth are of fundamental
importance in controlling the structural properties of large-scale polycrystalline materials, but …
importance in controlling the structural properties of large-scale polycrystalline materials, but …