Algorithm for generating derivative structures
نویسندگان
چکیده
We present an algorithm for generating all derivative superstructures—for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometryindependent way. The key concept is to use the quotient group associated with each superlattice to determine all unique atomic configurations. The run time of the algorithm scales linearly with the number of unique structures found.
منابع مشابه
A new approach to generating derivative structures
We present an algorithm for generating all derivative superstructures—for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The key concept is to use the quotient group associated with each superlattice to determine all unique atomic configurations. The run time of the algorithm scales l...
متن کاملDISCRETE SIZE AND DISCRETE-CONTINUOUS CONFIGURATION OPTIMIZATION METHODS FOR TRUSS STRUCTURES USING THE HARMONY SEARCH ALGORITHM
Many methods have been developed for structural size and configuration optimization in which cross-sectional areas are usually assumed to be continuous. In most practical structural engineering design problems, however, the design variables are discrete. This paper proposes two efficient structural optimization methods based on the harmony search (HS) heuristic algorithm that treat both discret...
متن کاملGenerating derivative structures from multilattices: Algorithm and application to hcp alloys
We present an algorithm for generating all derivative superstructures of a nonprimitive parent lattice. The algorithm has immediate application in important materials design problems such as modeling hexagonalclose-packed hcp alloys. Extending the work of Hart and Forcade Phys. Rev. B 77, 224115 2008 which applies only to Bravais lattices , this approach applies to arbitrary multilattices. The ...
متن کاملGenerating Optimal Timetabling for Lecturers using Hybrid Fuzzy and Clustering Algorithms
UCTTP is a NP-hard problem, which must be performed for each semester frequently. The major technique in the presented approach would be analyzing data to resolve uncertainties of lecturers’ preferences and constraints within a department in order to obtain a ranking for each lecturer based on their requirements within a department where it is attempted to increase their satisfaction and develo...
متن کاملProbability Generating Functions for Sattolo’s Algorithm
In 1986 S. Sattolo introduced a simple algorithm for uniform random generation of cyclic permutations on a fixed number of symbols. Recently, H. Prodinger analysed two important random variables associated with the algorithm, and found their mean and variance. H. Mahmoud extended Prodinger’s analysis by finding limit laws for the same two random variables.The present article, starting from the ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2008