arXiv subjects

Gang Cui

Publications and source records attributed to Gang Cui.

5 recordsLinked to original sources

arXiv2026

Defect annihilation mechanism in the formation of dodecagonal quasicrystals

Understanding defect evolution is essential to the structural stability of quasicrystals, yet the kinetics of defect repair remain poorly understood. Here, by combining the string method and the spring pair method, we determine the minimum energy path from defective to defect-free dodecagonal quasicrystals using a particle model with the Lennard-Jones-Gauss potential. We find that defect annihilation proceeds via three stages: phason flip, aggregation and decomposition of shield-like defects. These sequential transformations are driven by potential energy gradients and accompanied by an increase in structural symmetry. The three stages act synergistically in promoting defect annihilation, offering new insights into the microscopic repair mechanisms of quasicrystals.

cond-mat.mtrl-sci↗

arXiv2026

Phason-Driven Diversity of Nucleation Pathways in Icosahedral Quasicrystals

The nucleation of quasicrystals remains a fundamental puzzle, primarily due to the absence of a periodic translational template. Here, we demonstrate that phasons - hidden degrees of freedom unique to quasiperiodic order - drive diverse nucleation pathways in icosahedral quasicrystals (IQCs). Combining a Landau free-energy model with the spring pair method, we compute distinct critical nuclei and their corresponding minimum energy paths. At low temperatures, a direct, symmetry-preserving pathway dominates. In contrast, higher temperatures promote a "symmetry detour" that reduces the nucleation barrier via a lower-symmetry critical nucleus. Remarkably, while the resulting bulk IQCs exhibit distinct real-space symmetries, they remain thermodynamically degenerate with identical diffraction patterns. We resolve this paradox within the high-dimensional projection framework, showing that phason shifts modulate real-space symmetry without altering bulk thermodynamics. Our findings establish phasons as the structural origin of pathway diversity, offering a new physical picture for the emergence of quasiperiodic order.

cond-mat.soft↗

arXiv2025

Exploring transition pathways in the Landau-Brazovskii model

The Landau-Brazovskii model provides a theoretical framework for describing various phases arising from competing short- and long-range interactions in many physical systems. In this work, we investigate phase transitions among various ordered phases within the three-dimensional Landau-Brazovskii model. We construct the phase diagram of this model, which encompasses eight distinct phases, and systematically compute the transition pathways connecting various metastable and stable states using the Landau-Brazovskii saddle dynamics. Along each transition pathway, the critical nucleus is identified with some detailed analyses of its shape, energy barrier, and Hessian eigenvalues. Furthermore, we explore how the transition state is influenced by model parameters, revealing systematic trends in critical nucleus sizes and energy barrier heights. Our results provide a comprehensive characterization of the nucleation mechanisms within the Landau-Brazovskii model and offer valuable insights into the structural transformations of modulated-phase systems.

cond-mat.mtrl-sci↗

arXiv2024

A spring pair method of finding saddle points using the minimum energy path as a compass

Finding index-1 saddle points is crucial for understanding phase transitions. In this work, we propose a simple yet efficient approach, the spring pair method (SPM), to accurately locate saddle points. Without requiring Hessian information, SPM evolves a single pair of spring-coupled particles on the potential energy surface. By cleverly designing complementary drifting and climbing dynamics based on gradient decomposition, the spring pair converges onto the minimum energy path (MEP) and spontaneously aligns its orientation with the MEP tangent, providing a reliable ascent direction for efficient convergence to saddle points. SPM fundamentally differs from traditional surface walking methods, which rely on the eigenvectors of Hessian that may deviate from the MEP tangent, potentially leading to convergence failure or undesired saddle points. The efficiency of SPM for finding saddle points is verified by ample examples, including high-dimensional Lennard-Jones cluster rearrangement and the Landau energy functional involving quasicrystal phase transitions.

math-ph↗

arXiv2023

An efficient saddle search method for ordered phase transitions involving translational invariance

In this work, we propose an efficient nullspace-preserving saddle search (NPSS) method for a class of phase transitions involving translational invariance, where the critical states are often degenerate. The NPSS method includes two stages, escaping from the basin and searching for the index-1 generalized saddle point. The NPSS method climbs upward from the generalized local minimum in segments to overcome the challenges of degeneracy. In each segment, an effective ascent direction is ensured by keeping this direction orthogonal to the nullspace of the initial state in this segment. This method can escape the basin quickly and converge to the transition states. We apply the NPSS method to the phase transitions between crystals, and between crystal and quasicrystal, based on the Landau-Brazovskii and Lifshitz-Petrich free energy functionals. Numerical results show a good performance of the NPSS method.

math.NA↗