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In this paper, we present a systematic investigation on phase transition and coalescence behavior of fcc Fe nanoparticles under heating by molecular dynamics approach with Finnis-Sinclair many-body potential. The simulation results show that for fcc Fe nanoparticles, the martensitic transformation from fcc to bcc phase occurs prior to the melting. Relative rotation occurs between two like nanoparticles, but it does not happen in two nanoparticles with different sizes. A small nanoparticle prfers to adhere to a large one and is melted with temperature increasing, resulting in the final formation of a larger particle.
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Keywords:
- nanoparticle /
- phase transition /
- coalescence /
- molecular dynamics
[1] Gleiter H 1989 Prog. Mater. Sci. 33 223
[2] Lin X, Chen L, Zhu J 1991 Metall. Trans. A 22 2709
[3] Li F, Vipulanandan C, Mohanty K K 2003 Colloids Surf. A 223 103
[4] Ling T, Xie L, Zhu J, Yu H M, Ye H Q, Yu R, Cheng Z Y, Liu L, Yang G W, Cheng Z D, Wang Y J, Ma X L 2009 Nano Lett. 9 1572
[5] Ling T, Zhu J, Yu H M, Xie L 2009 J. Phys. Chem. C 113 9450
[6] Zhang Y, Wen Y H, Zhu Z Z, Sun S G 2010 J. Phys. Chem. C 114 18841
[7] Wu L, Zhang Y, Wen Y H, Zhu Z Z, Sun S G 2011 Chem. Phys. Lett. 502 207
[8] Zhu H L, Averback R S 1996 Mater. Manuf. Process 11 905
[9] Zeng P, Zajac S, Clapp P C, Rifkin J A 1998 Mater. Sci. Eng. A 252 301
[10] Ding F, Rosen A, Bolton K 2004 Phys. Rev. B 70 075416
[11] Tsuruta K, Omeltchenko A, Kalia R K, Vashishta P 1996 Europhys. Lett. 33 441
[12] Finnis M W, Sinclair J E 1984 Philos. Mag. A 50 45
[13] Tateyama S, Shibuta Y, Suzuki T 2008 Scripta Mater. 59 971
[14] Evans D J, Holian B L 1985 J. Chem. Phys. 83 409
[15] Berendsen H J C, Postma J P M, van Gunsteren W F, DiNola A, Haak J R 1984 J. Chem. Phys. 81 3684
[16] Jin Z H, Gumbsch P, Lu K, Ma E 2001 Phys. Rev. Lett. 87 055703
[17] Shibuta Y, Suzuki T 2007 Chem. Phys. Lett. 445 265
[18] Milstein F, Fang H E, Marschall J 1994 Philos. Mag. A 70 621
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[1] Gleiter H 1989 Prog. Mater. Sci. 33 223
[2] Lin X, Chen L, Zhu J 1991 Metall. Trans. A 22 2709
[3] Li F, Vipulanandan C, Mohanty K K 2003 Colloids Surf. A 223 103
[4] Ling T, Xie L, Zhu J, Yu H M, Ye H Q, Yu R, Cheng Z Y, Liu L, Yang G W, Cheng Z D, Wang Y J, Ma X L 2009 Nano Lett. 9 1572
[5] Ling T, Zhu J, Yu H M, Xie L 2009 J. Phys. Chem. C 113 9450
[6] Zhang Y, Wen Y H, Zhu Z Z, Sun S G 2010 J. Phys. Chem. C 114 18841
[7] Wu L, Zhang Y, Wen Y H, Zhu Z Z, Sun S G 2011 Chem. Phys. Lett. 502 207
[8] Zhu H L, Averback R S 1996 Mater. Manuf. Process 11 905
[9] Zeng P, Zajac S, Clapp P C, Rifkin J A 1998 Mater. Sci. Eng. A 252 301
[10] Ding F, Rosen A, Bolton K 2004 Phys. Rev. B 70 075416
[11] Tsuruta K, Omeltchenko A, Kalia R K, Vashishta P 1996 Europhys. Lett. 33 441
[12] Finnis M W, Sinclair J E 1984 Philos. Mag. A 50 45
[13] Tateyama S, Shibuta Y, Suzuki T 2008 Scripta Mater. 59 971
[14] Evans D J, Holian B L 1985 J. Chem. Phys. 83 409
[15] Berendsen H J C, Postma J P M, van Gunsteren W F, DiNola A, Haak J R 1984 J. Chem. Phys. 81 3684
[16] Jin Z H, Gumbsch P, Lu K, Ma E 2001 Phys. Rev. Lett. 87 055703
[17] Shibuta Y, Suzuki T 2007 Chem. Phys. Lett. 445 265
[18] Milstein F, Fang H E, Marschall J 1994 Philos. Mag. A 70 621
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