| 非晶态Fe-P合金结构的计算机模拟(Ⅱ)——Fe100-xPx结构与成分关系 |
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| 引用本文： | 王绪威,陈金昌,石双合. 非晶态Fe-P合金结构的计算机模拟(Ⅱ)——Fe100-xPx结构与成分关系[J]. 物理学报, 1988, 37(11): 1775-1784 |
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| 作者姓名： | 王绪威 陈金昌 石双合 |
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| 作者单位： | (1)北京航空学院应用数理系; (2)北京师范学院物理系 |
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| 摘 要： | 本文以计算机制作的模拟非晶态Fe100-xPx(x分别取25,20,15)合金的无规密堆模型作为初始位形,应用准动态平衡边界条件、截尾Morse势对体系进行松弛(能量极小化)计算。得到了松弛前后三种不同成分模型的体系能量、简约径向分布函数、配位数分布、角分布函数及均匀度,讨论了非晶态Fe100-xPx合金结构与成分的关系。关键词：
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| 收稿时间： | 1987-11-17 |
A COMPUTER SIMULATION OF THE STRUCTURE OF AMORPHOUS ALLOY Fe-P(II)——THE DEPENDENT RELATION OF THE STRUCTURE OF Fe100-xPx ON THE CONCENTRATION |
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| WANG XU-WEI,CHEN JIN-CHANG and SHI SHUANG-HE. A COMPUTER SIMULATION OF THE STRUCTURE OF AMORPHOUS ALLOY Fe-P(II)——THE DEPENDENT RELATION OF THE STRUCTURE OF Fe100-xPx ON THE CONCENTRATION[J]. Acta Physica Sinica, 1988, 37(11): 1775-1784 |
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| Authors: | WANG XU-WEI CHEN JIN-CHANG SHI SHUANG-HE |
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| Abstract: | In this paper, the model that we constructed to simulate the DPRHS of Fe100-xPx(x= 25, 20, 15) is taken as the primary configuration. This configuration is then subjected to relaxation under the quasi-dynamical equilibrim boundary through the tail truncated Morse potential (energy minimization). The total energy, reduced distribution function, coordination number distribution, angular distribution and homogeneity are obtained from the calculated data. The dependent relation of the structure of Fe100-x Px on the composition are discussed. |
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