On the phase field based model for the crystalline transition and nucleation within the Lagrange multiplier framework

Q **a, J Yang, J Kim, Y Li - Journal of Computational Physics, 2024 - Elsevier
Understanding the complexity of the nucleation and transition between the crystalline and
quasicrystalline is significant because the structural incommensurability is anisotropic and of …

Defect Engineering of Metal‐Based Atomically Thin Materials for Catalyzing Small‐Molecule Conversion Reactions

J Huo, Y Dou, C Wu, H Liu, S Dou… - Advanced Materials, 2024 - Wiley Online Library
Recently, metal‐based atomically thin materials (M‐ATMs) have experienced rapid
development due to their large specific surface areas, abundant electrochemically …

Representing crystal potential energy surfaces via a stationary-point network

L Li, B Yu, P Gao, J Lv, L Zhang, Y Wang, Y Ma - Acta Materialia, 2024 - Elsevier
A cornerstone of materials physics is the principle that all properties of crystalline systems
are fundamentally determined based on the underlying potential energy surface (PES) …

Understanding the Role of Trapezoids in Honeycomb Self‐Assembly—Pathways between a Columnar Liquid Quasicrystal and its Liquid‐Crystalline Approximants

Y Cao, A Scholte, M Prehm, C Anders… - Angewandte …, 2024 - Wiley Online Library
Quasiperiodic patterns and crystals—having long range order without translational
symmetry—have fascinated researchers since their discovery. In this study, we report on …

Transition paths of ordered phases in a diblock copolymer under cylindrical confinement

J Yang, Q Dong, L Peng, X Huang, W Li - Macromolecules, 2023 - ACS Publications
The kinetic evolution of ordered phases, ie, single-cylinder (C1), stacked disks (Dk), and
single-helix (H1), formed by a cylinder-forming AB diblock copolymer melt under the …

Solution landscape of a reduced Landau–de Gennes model on a hexagon

Y Han, J Yin, P Zhang, A Majumdar, L Zhang - Nonlinearity, 2021 - iopscience.iop.org
We investigate the solution landscape of a reduced Landau–de Gennes model for nematic
liquid crystals (NLCs) on a two-dimensional hexagon at a fixed temperature, as a function of …

pETNNs: partial evolutionary tensor neural networks for solving time-dependent partial differential equations

T Kao, H Zhang, L Zhang, J Zhao - arxiv preprint arxiv:2403.06084, 2024 - arxiv.org
We present partial evolutionary tensor neural networks (pETNNs), a novel framework for
solving time-dependent partial differential equations with high accuracy and capable of …

Generalized Allen–Cahn-type phase-field crystal model with FCC ordering structure and its conservative high-order accurate algorithm

Z Tan, L Chen, J Yang - Computer Physics Communications, 2023 - Elsevier
In this paper, a generalized Allen–Cahn-type phase-field crystal model with face-centered-
cubic ordering structure is presented. By introducing a space-time dependent Lagrange …

Unconditionally energy-stable linear convex splitting algorithm for the L2 quasicrystals

J Yang - Computer Physics Communications, 2024 - Elsevier
Quasicrystals have extensive applications in material sciences. In this article, we develop an
unconditional energy-dissipation-preserving, temporally second-order accurate, and linear …

Convergence analysis of discrete high-index saddle dynamics

Y Luo, X Zheng, X Cheng, L Zhang - SIAM Journal on Numerical Analysis, 2022 - SIAM
Saddle dynamics is a time continuous dynamics to efficiently compute the any-index saddle
points and construct the solution landscape. In practice, the saddle dynamics needs to be …