Numerical methods for quasicrystals
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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.
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Cites work
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- Aperiodic Crystals
- Discovery of new metastable patterns in diblock copolymers
- Simultaneous diophantine approximation
- The crystallographic restriction in higher dimensions
- Twenty years of structure research on quasicrystals. I. Pentagonal, octagonal, decagonal and dodecagonal quasicrystals
Cited in
(23)- Efficient numerical methods for computing the stationary states of phase field crystal models
- Unconditionally energy-stable linear convex splitting algorithm for the \(L^2\) quasicrystals
- Computing interface with quasiperiodicity
- Calculation of 6D Atomic Surfaces from a Given Approximant Crystalline Structure Using Approximate Icosahedral Periodic Tilings
- High-order energy stable schemes of incommensurate phase-field crystal model
- Spectral deferred correction method for Landau-Brazovskii model with convex splitting technique
- Plane wave methods for quantum eigenvalue problems of incommensurate systems
- Tilt grain boundaries of hexagonal structures: a spectral viewpoint
- Reduced projection method for photonic moiré lattices
- Localization in the incommensurate systems: a plane wave study via effective potentials
- Energetic variational neural network discretizations of gradient flows
- High-accuracy numerical methods and convergence analysis for Schrödinger equation with incommensurate potentials
- On the phase field based model for the crystalline transition and nucleation within the Lagrange multiplier framework
- Error estimates for second-order SAV finite element method to phase field crystal model
- Calculation and illustration of section-projection diagrams of quasicrystals
- Layer-splitting methods for time-dependent Schrödinger equations of incommensurate systems
- Convergence Analysis for Bregman Iterations in Minimizing a Class of Landau Free Energy Functionals
- Numerical Methods and Analysis of Computing Quasiperiodic Systems
- 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
- Generalized Allen-Cahn-type phase-field crystal model with FCC ordering structure and its conservative high-order accurate algorithm
- Accurately recover global quasiperiodic systems by finite points
- Numerical simulation for quasiperiodic quantum dynamical systems
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