应用改进分析型EAM模型,系统计算了B2FeAl合金的晶格动力学性能,包括晶格常数、形成热、弹性常数、声子谱、态密度、比热、德拜温度和热膨胀系数等,并将计算结果与已有实验数据及其他理论计算结果进行了比较.总的来说,仅从合金组成元素的性质出发,不涉及合金本身性质而构建的改进分析型EAM模型成功地描述了B2 FeAl合金原子间的相互作用,所得计算结果与实验值符合很好.
参考文献
| [1] | Baker I;Munroe P R .[J].International Materials Reviews,1997,42(05):181. |
| [2] | Meyer B;Schott V;Fahnle M et al.[J].Physical Review,1998,58B:R14673. |
| [3] | Liu Shaojun;Duan Suqing;Ma Benkun .[J].Physical Review,1998,58B:9705. |
| [4] | Wenqing Zhang;Qian Xie;Xijin Ge;Nanxian Chen .[J].Journal of Applied Physics,1997,82(02):578. |
| [5] | Kentzinger E;Cadeville M C;Pierron- Bohnes V;Petry W Hennion B .[J].Journal of Physics:Condensed Matter,1996,8:5535. |
| [6] | Robertson I M;J Phys .[J].Condensed Matter,1991,3:8181. |
| [7] | 胡望宇,张邦维,黄伯云.分析型EAM模型的发展现状与展望[J].稀有金属材料与工程,1999(01):1-4. |
| [8] | Wangyu Hu;Xiaolin Shu;Bangwei Zhang .Point-defect properties in body-centered cubic transition metals with analytic EAM interatomic potentials[J].Computational Materials Science,2002(1/4):175-189. |
| [9] | 黄杨程,舒小林,孔毅,王玲玲,胡望宇.fcc过渡族金属晶格动力学的改进分析型EAM模型计算[J].中国有色金属学报,2002(z1):36-40. |
| [10] | Wangyu Hu;Bangwei Zhang;Baiyun Huang;Fei Gao et al.[J].Journal of Physics:Condensed Matter,2001,13:1193. |
| [11] | Marcel H F Sluiter;Weinert M;Yoshiyuki Kawazoe .[J].Physical Review,1999,60 B:4100. |
| [12] | Xiaolin SHU,Wangyu HU,Hanning XIAO,Huiqiu DENG,Bangwei ZHANG.Vacancies and Antisites in B2 FeA1 and DO3 Fe3A1 with a Modified Analytic EAM Model[J].材料科学技术学报(英文版),2001(06):601-604. |
| [13] | JohnsonRA .[J].Physical Review,1990,41B:9717. |
| [14] | Johnson R A .[J].Physical Review,1972,6B(06):2094. |
| [15] | Hultgen R;Orr R L;Anderson P D.Selected Values of Thermodynamic Properties of Metals and Alloy[M].New York:wiley,1963:433. |
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