Numerical methods for quasicrystals
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Publication:348352
DOI10.1016/J.JCP.2013.08.034zbMATH Open1349.82090arXiv1212.3326OpenAlexW1992244966MaRDI QIDQ348352FDOQ348352
Authors: Kai Jiang, Pingwen Zhang 
Publication date: 5 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: Quasicrystals are one kind of space-filling structures. The traditional crystalline approximant method utilizes periodic structures to approximate quasicrystals. The errors of this approach come from two parts: the numerical discretization, and the approximate error of Simultaneous Diophantine Approximation which also determines the size of the domain necessary for accurate solution. As the approximate error decreases, the computational complexity grows rapidly, and moreover, the approximate error always exits unless the computational region is the full space. In this work we focus on the development of numerical method to compute quasicrystals with high accuracy. With the help of higher-dimensional reciprocal space, a new projection method is developed to compute quasicrystals. The approach enables us to calculate quasicrystals rather than crystalline approximants. Compared with the crystalline approximant method, the projection method overcomes the restrictions of the Simultaneous Diophantine Approximation, and can also use periodic boundary conditions conveniently. Meanwhile, the proposed method efficiently reduces the computational complexity through implementing in a unit cell and using pseudospectral method. For illustrative purpose we work with the Lifshitz-Petrich model, though our present algorithm will apply to more general systems including quasicrystals. We find that the projection method can maintain the rotational symmetry accurately. More significantly, the algorithm can calculate the free energy density to high precision.
Full work available at URL: https://arxiv.org/abs/1212.3326
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projection methodprojective matrixquasicrystalscrystalline approximant methoddodecagonal quasicrystalLifshitz-Petrich model
Integro-partial differential equations (45K05) Numerical methods for integral equations (65R20) Statistical mechanics of crystals (82D25)
Cites Work
- Twenty years of structure research on quasicrystals. I. Pentagonal, octagonal, decagonal and dodecagonal quasicrystals
- The crystallographic restriction in higher dimensions
- Aperiodic Crystals
- Discovery of New Metastable Patterns in Diblock Copolymers
- Simultaneous diophantine approximation
- An efficient numerical method of Landau-Brazovskii model
Cited In (22)
- Efficient Numerical Methods for Computing the Stationary States of Phase Field Crystal Models
- Calculation and illustration of section-projection diagrams of quasicrystals
- Tilt Grain Boundaries of Hexagonal Structures: A Spectral Viewpoint
- On the phase field based model for the crystalline transition and nucleation within the Lagrange multiplier framework
- Unconditionally energy-stable linear convex splitting algorithm for the \(L^2\) quasicrystals
- Accurately recover global quasiperiodic systems by finite points
- Localization in the incommensurate systems: a plane wave study via effective potentials
- Energetic variational neural network discretizations of gradient flows
- Computing interface with quasiperiodicity
- Plane wave methods for quantum eigenvalue problems of incommensurate systems
- High-accuracy numerical methods and convergence analysis for Schrödinger equation with incommensurate potentials
- Convergence Analysis for Bregman Iterations in Minimizing a Class of Landau Free Energy Functionals
- Numerical Methods and Analysis of Computing Quasiperiodic Systems
- Calculation of 6D Atomic Surfaces from a Given Approximant Crystalline Structure Using Approximate Icosahedral Periodic Tilings
- An efficient saddle search method for ordered phase transitions involving translational invariance
- MCMS-RBM: multicomponent multistate reduced basis method toward rapid generation of phase diagrams for the Lifshitz-Petrich model
- Spectral deferred correction method for Landau-Brazovskii model with convex splitting technique
- High-order energy stable schemes of incommensurate phase-field crystal model
- Reduced projection method for photonic moiré lattices
- Error estimates for second-order SAV finite element method to phase field crystal model
- Generalized Allen-Cahn-type phase-field crystal model with FCC ordering structure and its conservative high-order accurate algorithm
- Layer-Splitting Methods for Time-Dependent Schrödinger Equations of Incommensurate Systems
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