Investigating local atomic structural order in TiAl3 metallic glass using molecular dynamic simulation
作者： M. Tahiri , A. Hassani , K. Sbiaai , A. Hasnaoui
DOI: 10.1016/J.COCOM.2018.01.005
关键词:
摘要: Abstract In this work, we studied structural properties of super cooled binary TiAl3 metallic glass (MG) using molecular dynamics (MD) simulation in the framework embedded atom method (EAM). The atomic local structure is analyzed radial distribution function (RDF), common neighbors analysis technique (CNA), coordination numbers (CNs), and Voronoi tessellation (VTA). transition temperature Tg determined Wendt–Abraham method. results showed that during high-rate cooling process volume decreases continuously with a slight slope change leading to formation. increases increasing rate. linked split second peak different pair functions icosahedral polyhedra, formation follows spherical-periodic order (SPO) except for third R3/R1 = 4 , which correspond translational symmetry (LTS) contributing connection polyhedra as vertex-sharing mode (VS). Partial RDF icosahedral-like, mixed others coordinated VPs revealed not due mainly perfect unit but also icosahedral-like clusters from CN11 CN15. particular, Al centered assemble more indexed Ti try form fewer larger such .
sci-hub.se 参考文章(67)
M. Kambara, K. Uenishi, K. F. Kobayashi, Nano-structured intermetallic compound TiAl obtained by crystallization of mechanically alloyed amorphous TiAl, and its subsequent grain growth Journal of Materials Science. ,vol. 35, pp. 2897- 2905 ,(2000) , 10.1023/A:1004771808047
A. Hassani, A. Makan, K. Sbiaai, A. Tabyaoui, A. Hasnaoui, Molecular dynamics study of growth and interface structure during aluminum deposition on Ni(1 0 0) substrate Applied Surface Science. ,vol. 349, pp. 785- 791 ,(2015) , 10.1016/J.APSUSC.2015.05.076
X. D. Wang, H. B. Lou, S. G. Wang, J. Xu, J. Z. Jiang, Atomic packing in Mg61Cu28Gd11 bulk metallic glass Applied Physics Letters. ,vol. 98, pp. 031901- ,(2011) , 10.1063/1.3544049
H S Chen, REVIEW ARTICLE: Glassy metals Reports on Progress in Physics. ,vol. 43, pp. 353- 432 ,(1980) , 10.1088/0034-4885/43/4/001
A. Inoue, A. Kato, T. Zhang, S. G. Kim, T. Masumoto, Mg–Cu–Y Amorphous Alloys with High Mechanical Strengths Produced by a Metallic Mold Casting Method Materials Transactions Jim. ,vol. 32, pp. 609- 616 ,(1991) , 10.2320/MATERTRANS1989.32.609
Shlomo Havlin, Armin Bunde, Fractals and Disordered Systems ,(1991)
David Z Chen, Crystal Y Shi, Qi An, Qiaoshi Zeng, Wendy L Mao, William A Goddard III, Julia R Greer, Fractal atomic-level percolation in metallic glasses Science. ,vol. 349, pp. 1306- 1310 ,(2015) , 10.1126/SCIENCE.AAB1233
Y.Q. Cheng, E. Ma, Atomic-level structure and structure–property relationship in metallic glasses Progress in Materials Science. ,vol. 56, pp. 379- 473 ,(2011) , 10.1016/J.PMATSCI.2010.12.002
Zhuo-Cheng Xie, Ting-Hong Gao, Xiao-Tian Guo, Quan Xie, Influence of the isothermal process at glass transition temperature on growths of Frank–Kasper polyhedral clusters in TiAl3 alloy Journal of Non-crystalline Solids. ,vol. 406, pp. 95- 101 ,(2014) , 10.1016/J.JNONCRYSOL.2014.09.047
Andrew S. Clarke, Hannes Jónsson, Structural changes accompanying densification of random hard-sphere packings Physical Review E. ,vol. 47, pp. 3975- 3984 ,(1993) , 10.1103/PHYSREVE.47.3975