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Local structural changes from liquid to amorphous state in three Cu45Zr55-xAlx (x=3, 7, 12) ternary metallic glasses have been investigated by the ab initio molecular dynamics simulation. The atomic structure of the glasses has been analyzed by means of bond-type index method in Honeycutt-Andersen and Voronoi tessellation method. Al-centered icosahedral clusters are identified as the basic local structural units and these Al-centered stable clusters play a key role in the structural heterogeneity and glass-forming ability of the Cu-Zr-Al bulk metallic glasses.
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Keywords:
- bulk metallic glass /
- atomic clusters /
- composition design /
- glass forming ability
[1] Tang M B, Zhao D Q, Pan M X, Wang W H 2004 Chin. Phys. Lett. 21 901
[2] Inoue A, Zhang W 2004 Mater. Trans. JIM 45 584
[3] Xu D H, Lohwongwatana B, Duan G, Johnson W L, Garland C 2004 Acta Mater. 52 2621
[4] Guo G Q, Yang L, Zhang G Q 2011 Acta Phys. Sin. 60 016103 (in Chinese)[郭古青, 杨亮, 张国庆 2011 物理学报 60 016103]
[5] Fang H Z, Hui X D, Chen G L, Liu Z K 2009 Appl. Phys. Lett. 94 091904
[6] Bai H Y, Tang M B, Wang W H, Wang W L, Yu P 2005 Acta Phys. Sin. 54 3284 (in Chinese)[白海洋, 汤美波, 汪卫华, 王万录, 余鹏 2005 物理学报 54 3284]
[7] Wang D, Tan H, Li Y 2005 Acta Mater. 53 2969
[8] Das J, Tang M B, Kim K B, Theissmann R, Baier F, Wang W H, Eckert J 2005 Phys. Rev. Lett. 94 205501
[9] Kumar G, Ohkubo T, Mukai T, Hono K 2007 Scripta Mater. 57 173
[10] Wang C C, Dong C H 2012 J. Alloys Compd. 510 107
[11] Cheng Y Q, Ma E, Sheng H W 2009 Phys. Rev. Lett. 102 245501
[12] Wang X D, Jiang Q K, Cao Q P, Bednarcik J, Franz H, Jiang J Z 2008 J. Appl. Phys. 104 093519
[13] Yang L, Guo G Q, Chen L Y, Wei S H, Jiang J Z, Wang X D 2010 Scripta Mater. 63 879
[14] Yang L, Gea T, Guo G Q, Huang C L, Meng X F, Wei S H, Chen D, Chen L Y 2013 Intermetallics 34 106
[15] Yang L, Guo G Q 2010 Chin. Phys. B 19 126101
[16] Imran M, Hussain F, Rashid M, Cai Y Q, Ahmad S A 2013 Chin. Phys. B 22 096101
[17] Honeycutt J D, Andersen H C 1987 Phys. Chem. 91 4950
[18] Finney J L 1977 Nature 266 309
[19] Peng H L, Li M Z, Wang W H 2011 Phys. Rev. Lett. 106 135503
[20] Margolina A, Wu S 1988 Polymer 29 2170
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[1] Tang M B, Zhao D Q, Pan M X, Wang W H 2004 Chin. Phys. Lett. 21 901
[2] Inoue A, Zhang W 2004 Mater. Trans. JIM 45 584
[3] Xu D H, Lohwongwatana B, Duan G, Johnson W L, Garland C 2004 Acta Mater. 52 2621
[4] Guo G Q, Yang L, Zhang G Q 2011 Acta Phys. Sin. 60 016103 (in Chinese)[郭古青, 杨亮, 张国庆 2011 物理学报 60 016103]
[5] Fang H Z, Hui X D, Chen G L, Liu Z K 2009 Appl. Phys. Lett. 94 091904
[6] Bai H Y, Tang M B, Wang W H, Wang W L, Yu P 2005 Acta Phys. Sin. 54 3284 (in Chinese)[白海洋, 汤美波, 汪卫华, 王万录, 余鹏 2005 物理学报 54 3284]
[7] Wang D, Tan H, Li Y 2005 Acta Mater. 53 2969
[8] Das J, Tang M B, Kim K B, Theissmann R, Baier F, Wang W H, Eckert J 2005 Phys. Rev. Lett. 94 205501
[9] Kumar G, Ohkubo T, Mukai T, Hono K 2007 Scripta Mater. 57 173
[10] Wang C C, Dong C H 2012 J. Alloys Compd. 510 107
[11] Cheng Y Q, Ma E, Sheng H W 2009 Phys. Rev. Lett. 102 245501
[12] Wang X D, Jiang Q K, Cao Q P, Bednarcik J, Franz H, Jiang J Z 2008 J. Appl. Phys. 104 093519
[13] Yang L, Guo G Q, Chen L Y, Wei S H, Jiang J Z, Wang X D 2010 Scripta Mater. 63 879
[14] Yang L, Gea T, Guo G Q, Huang C L, Meng X F, Wei S H, Chen D, Chen L Y 2013 Intermetallics 34 106
[15] Yang L, Guo G Q 2010 Chin. Phys. B 19 126101
[16] Imran M, Hussain F, Rashid M, Cai Y Q, Ahmad S A 2013 Chin. Phys. B 22 096101
[17] Honeycutt J D, Andersen H C 1987 Phys. Chem. 91 4950
[18] Finney J L 1977 Nature 266 309
[19] Peng H L, Li M Z, Wang W H 2011 Phys. Rev. Lett. 106 135503
[20] Margolina A, Wu S 1988 Polymer 29 2170
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