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Recently, we developed a condensing potential model to predict the ability for materials to form single crystals, and it showed that the ability of mono-component materials (Ni, Al, Cu, Ar, Mg) increases monotonically with the increasing condensing potentials. The present work applied the condensing potential model to binary-component materials. Via molecular dynamics simulations, we investigated the influence of 6 wt% Al doping on the crystallization ability of Ni crystal and found that the doping heavily decreased the crystallization ability. Then a condensing potential model for binary-component materials was developed and was shown as a promising tool to predict the crystallization ability of binary-component materials.
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Keywords:
- single crystal /
- crystallography /
- molecular dynamics /
- condensing potential model
[1] Li Y D, Qian Y T, Liao H W, Ding Y, Yang L, Xu C Y, Li F Q, Zhou G 1998 Science 281 246
[2] Look D C 2001 Mat. Sci. Engng. B- Solid 80 383
[3] Laudise R A 1970 The Growth of Single Crystals (New York: Prentice-Hall)
[4] Kumar K, Ramamoorthy K, Chandramohan R, Sankaranarayanan K 2006 Cryst. Res. Technol. 41 217
[5] Lou Z S, Chen Q W, Zhang Y F, Wang W, Qian Y T 2003 J. Am. Chem. Soc. 125 9302
[6] Isberg J, Hammersberg J, Johansson E, Wikstrom T, Twitchen D J, Whitehead A J, Coe S E, Scarsbrook G A 2002 Science 297 1670
[7] Ye X X, Ming C, Hu Y C, Ning X J 2009 J. Chem. Phys. 130 164711
[8] Ye X X, Ming C, Hu Y C, Ning X J 2009 Acta Phys. Sin. 58 3293 (in Chinese) [叶祥熙、明 辰、胡蕴成、宁西京 2009 58 3293]
[9] Jia X, Liu A P, Liu Y Y, Wang J W, Tang W H 2009 Acta Phys. Sin. 58 2572 (in Chinese) [贾 曦、刘爱萍、刘洋溢、王君伟、唐为华 2009 58 2572 ]
[10] Zou J, Zhang L H, Zhou S M, Xu J, Han P, Zhang R 2005 Acta Phys. Sin. 54 4269 (in Chinese) [邹 军、张连翰、周圣 明、徐 军、韩 平、张 荣 2005 54 4269] 〖11] Xia H R, Zou Z Q, Zhang P L, Qin Z K 1993 Chin. Phys. 2 825
[11] Tang Z, Li C Z, Yin D, Zhu B P, Wang L L, Wang J F, Xiong R, Wang Q Q, Shi J 2006 Acta Phys. Sin. 55 6532 (in Chinese) [汤 征、李长真、尹 镝、朱本鹏、汪丽莉、王俊峰、熊 锐、王取泉、石 兢2006 556532]
[12] Kearsey R M, Beddoes J C, Jones P, Au P 2004 Intermetallics 12 903
[13] Zeng Q, Ma S W, Zheng Y R, Liu S Z, Zhai T 2009 J. Alloys Compd. 480 987
[14] Deei S C, Sikka V K 1996 Intermetallics 4 357
[15] StoloffN S, Liu C T, Deevi S C 2000 Intermetallics8 1313
[16] Devincre B, Kubin L P, Lemarchand C, Madec R 2001 Mater. Sci. Engng. A 309-310 211
[17] Gong X F, Wang L, Ning X J, Zhuang J 2004 Surf. Sci. 553 181
[18] Zhang Q, Buch V 1990 J. Chem. Phys. 92 5004
[19] Raff L M 1991 J. Chem. Phys. 95 8901
[20] Riley M E, Coltrin M E, Diestler D J 1988 J. Chem. Phys. 88 5934
[21] Cleri F, Rosato V 1993 Phys. Rev. B 48 22
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[1] Li Y D, Qian Y T, Liao H W, Ding Y, Yang L, Xu C Y, Li F Q, Zhou G 1998 Science 281 246
[2] Look D C 2001 Mat. Sci. Engng. B- Solid 80 383
[3] Laudise R A 1970 The Growth of Single Crystals (New York: Prentice-Hall)
[4] Kumar K, Ramamoorthy K, Chandramohan R, Sankaranarayanan K 2006 Cryst. Res. Technol. 41 217
[5] Lou Z S, Chen Q W, Zhang Y F, Wang W, Qian Y T 2003 J. Am. Chem. Soc. 125 9302
[6] Isberg J, Hammersberg J, Johansson E, Wikstrom T, Twitchen D J, Whitehead A J, Coe S E, Scarsbrook G A 2002 Science 297 1670
[7] Ye X X, Ming C, Hu Y C, Ning X J 2009 J. Chem. Phys. 130 164711
[8] Ye X X, Ming C, Hu Y C, Ning X J 2009 Acta Phys. Sin. 58 3293 (in Chinese) [叶祥熙、明 辰、胡蕴成、宁西京 2009 58 3293]
[9] Jia X, Liu A P, Liu Y Y, Wang J W, Tang W H 2009 Acta Phys. Sin. 58 2572 (in Chinese) [贾 曦、刘爱萍、刘洋溢、王君伟、唐为华 2009 58 2572 ]
[10] Zou J, Zhang L H, Zhou S M, Xu J, Han P, Zhang R 2005 Acta Phys. Sin. 54 4269 (in Chinese) [邹 军、张连翰、周圣 明、徐 军、韩 平、张 荣 2005 54 4269] 〖11] Xia H R, Zou Z Q, Zhang P L, Qin Z K 1993 Chin. Phys. 2 825
[11] Tang Z, Li C Z, Yin D, Zhu B P, Wang L L, Wang J F, Xiong R, Wang Q Q, Shi J 2006 Acta Phys. Sin. 55 6532 (in Chinese) [汤 征、李长真、尹 镝、朱本鹏、汪丽莉、王俊峰、熊 锐、王取泉、石 兢2006 556532]
[12] Kearsey R M, Beddoes J C, Jones P, Au P 2004 Intermetallics 12 903
[13] Zeng Q, Ma S W, Zheng Y R, Liu S Z, Zhai T 2009 J. Alloys Compd. 480 987
[14] Deei S C, Sikka V K 1996 Intermetallics 4 357
[15] StoloffN S, Liu C T, Deevi S C 2000 Intermetallics8 1313
[16] Devincre B, Kubin L P, Lemarchand C, Madec R 2001 Mater. Sci. Engng. A 309-310 211
[17] Gong X F, Wang L, Ning X J, Zhuang J 2004 Surf. Sci. 553 181
[18] Zhang Q, Buch V 1990 J. Chem. Phys. 92 5004
[19] Raff L M 1991 J. Chem. Phys. 95 8901
[20] Riley M E, Coltrin M E, Diestler D J 1988 J. Chem. Phys. 88 5934
[21] Cleri F, Rosato V 1993 Phys. Rev. B 48 22
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