| 泛型设计的MC算法在计算材料学中的研究与应用 |
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| 引用本文： | 王姝力,罗迅.泛型设计的MC算法在计算材料学中的研究与应用[J].山西农业大学学报(自然科学版),2011,31(3):277-280. |
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| 作者姓名： | 王姝力 罗迅 |
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| 作者单位： | 湖南师范大学 数学与计算机科学学院,湖南长沙,410081 |
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| 基金项目： | 大学生创新性实验国家级项目(101054219) |
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| 摘 要： | 基于泛型化程序设计的Monte Carlo方法对材料学中的模晶生长过程进行模拟与分析。通过编写一个泛型架构和模块化的类以及其成员函数,将已实现的各种Monte Carlo方法变种整合到一个软件平台下,对MC算法中的各个关键策略包括能量计算、邻近点选择、抽样方法等,进行模块化封装,并设计泛型数据接口。在构造新的MC方法变种的时候,可以根据需要进行"组装";也可以按照一定原型设计新的模块,与原有结构搭配。实验结果表明,泛型化设计极大地提高了MC算法实现的效率。
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| 关 键 词： | 泛型化程序设计 Monte Carlo算法 计算材料学 |
Research and Application of Generic Programming MC algorithm in Computational Material Science |
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| WANG Shu-li,LUO Xun.Research and Application of Generic Programming MC algorithm in Computational Material Science[J].Journal of Shanxi Agricultural University,2011,31(3):277-280. |
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| Authors: | WANG Shu-li LUO Xun |
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| Institution: | WANG Shu-li,LUO Xun(College of Mathematics and Computer Science,Hunan Normal University,Changsha Hunan 410081,China) |
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| Abstract: | The process of crystal growth in materials science using generic programming based on the Monte Carlo method were simulated and analysed.Generic structure,modular class and its member functions were programmed,A variety of achieved variants of Monte Carlo method were integrated into a software platform,each of key strategies in MC algorithm,including energy calculation,the selection of critical value and method of sampling,etc,was modularized,and the interface of generic data was designed.When the new varia... |
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| Keywords: | Generic programming Monte carlo algorithm Computational material science |
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