Box length search algorithm for molecular simulation of systems containing periodic structures
نویسندگان
چکیده
منابع مشابه
Box length search algorithm for molecular simulation of systems containing periodic structures.
We have developed a box length search algorithm to efficiently find the appropriate box dimensions for constant-volume molecular simulation of periodic structures. The algorithm works by finding the box lengths that equalize the pressure in each direction while maintaining constant total volume. Maintaining the volume at a fixed value ensures that quantitative comparisons can be made between si...
متن کاملFinite-Difference Time-Domain Simulation of Light Propagation in 2D Periodic and Quasi-Periodic Photonic Structures
Ultra-short pulse is a promising technology for achieving ultra-high data rate transmission which is required to follow the increased demand of data transport over an optical communication system. Therefore, the propagation of such type of pulses and the effects that it may suffer during its transmission through an optical waveguide has received a great deal of attention in the recent years. We...
متن کاملAN EFFICIENT OPTIMIZATION PROCEDURE BASED ON CUCKOO SEARCH ALGORITHM FOR PRACTICAL DESIGN OF STEEL STRUCTURES
Different kinds of meta-heuristic algorithms have been recently utilized to overcome the complex nature of optimum design of structures. In this paper, an integrated optimization procedure with the objective of minimizing the self-weight of real size structures is simply performed interfacing SAP2000 and MATLAB® softwares in the form of parallel computing. The meta-heuristic algorithm chosen he...
متن کاملComplementary Periodic Structures for Miniaturization of Planar Antennas
In this paper various layered planar periodic structures which provide miniaturization of planar antennas are proposed and discussed. The proposed designs are based on two concepts, reactive impedance surfaces and complementary periodic structures. In the proposed structures, complementary periodic rings and slots are patterned on the intermediate boundaries of the dielectric layers. A patch an...
متن کاملDeveloping Self-adaptive Melody Search Algorithm for Optimal Operation of Multi-reservoir Systems
Operation of multi-reservoir systems is known as complicated and often large-scale optimization problems. The problems, because of broad search space, nonlinear relationships, correlation of several variables, as well as problem uncertainty, are difficult requiring powerful algorithms with specific capabilities to be solved. In the present study a Self-adaptive version of Melody Search algorith...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2004
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1636156