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Microstructural changes of molten TiAl films are investigated by using molecular dynamics simulations within the framework of embedded atom method in quenching and continuous cooling processes. Atomic local structures in these films are analyzed by using atom average energy, pair distribution functions, and pair analysis technique. The local structure changes in the TiAl films can be divided in to three stages on quenching, and they are divided in to two stages on continuous cooling.
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Keywords:
- molecular dynamics /
- TiAl alloy /
- thin film /
- computer simulation
[1] Zhou Z Y, Wang Z L, Lin L W 2007 Micro-System and Nano Technology (Beijing: Science Press)p271 (in Chinese)[周兆英、 王中林、 林立伟 2007 微系统和纳米技术 (北京: 科学出版社) 第271页]
[2] Qu X X, Zhang Q X, Zou Q B, Balasubramanian N, Yang P, Zeng K Y 2002 Mater. Sci. Semicond. Processing 5 35
[3] Morris M A, Leboeuf M 1997 Mater. Sci. Engng. A 224 1
[4] Imayev R M, Gabdullin N K, Salishchev G A, Senkov O N, Imayev V M, Froes F H 1999 Acta Mater. 47 1809
[5] Fan Q N, Li W, Zhang L 2010 Acta Phys. Sin. 59 2428 (in Chinese) [樊沁娜、 李 蔚、 张 林 2010 59 2428]
[6] Xu S N, Zhang L, Zhang C B, Qi Y 2007 Acta Metall. Sin. 43 379 (in Chinese)[徐送宁、 张 林、 张彩碚、 祁 阳 2007 金属学报 43 379]
[7] Zhang L, Zhang C B, Qi Y 2007 Chin. Phys. 16 77
[8] Zhang L, Zhang C B, Qi Y 2008 Phys. Lett. A 372 2874
[9] Zhang L, Zhang C B, Qi Y 2009 Physica B 404 205
[10] Zhang L, Sun H X 2009 Solid State Commun. 149 1722
[11] Zhang L, Sun H X 2009 Chin. J. Chem. Phys. 22 69
[12] Farkas D 1994 Modeling Simul. Mater. Sci. Engng. 2 975
[13] Allen M P, Tildesley D J 1987 Computer Simulation of Liquid (Oxford: Clarendon Press)
[14] Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
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[1] Zhou Z Y, Wang Z L, Lin L W 2007 Micro-System and Nano Technology (Beijing: Science Press)p271 (in Chinese)[周兆英、 王中林、 林立伟 2007 微系统和纳米技术 (北京: 科学出版社) 第271页]
[2] Qu X X, Zhang Q X, Zou Q B, Balasubramanian N, Yang P, Zeng K Y 2002 Mater. Sci. Semicond. Processing 5 35
[3] Morris M A, Leboeuf M 1997 Mater. Sci. Engng. A 224 1
[4] Imayev R M, Gabdullin N K, Salishchev G A, Senkov O N, Imayev V M, Froes F H 1999 Acta Mater. 47 1809
[5] Fan Q N, Li W, Zhang L 2010 Acta Phys. Sin. 59 2428 (in Chinese) [樊沁娜、 李 蔚、 张 林 2010 59 2428]
[6] Xu S N, Zhang L, Zhang C B, Qi Y 2007 Acta Metall. Sin. 43 379 (in Chinese)[徐送宁、 张 林、 张彩碚、 祁 阳 2007 金属学报 43 379]
[7] Zhang L, Zhang C B, Qi Y 2007 Chin. Phys. 16 77
[8] Zhang L, Zhang C B, Qi Y 2008 Phys. Lett. A 372 2874
[9] Zhang L, Zhang C B, Qi Y 2009 Physica B 404 205
[10] Zhang L, Sun H X 2009 Solid State Commun. 149 1722
[11] Zhang L, Sun H X 2009 Chin. J. Chem. Phys. 22 69
[12] Farkas D 1994 Modeling Simul. Mater. Sci. Engng. 2 975
[13] Allen M P, Tildesley D J 1987 Computer Simulation of Liquid (Oxford: Clarendon Press)
[14] Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
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