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The influences of atomic number and shape on Debye temperature, surface energy, surface pressure and lattice are studied by means of Me-lennard jones potential, then the influences of anharmonicity and shape on surface character are discussed. The result shows that (1) the Debye temperature and surface energy increase as atomic number increases, and that of rod nanodiamond is lower than that of cubic one. (2) The surface pressure and the variation of lattice parameter at low temperature decrease with the atom number decreasing, and the rod sample change is more apparent. The harmonic atomic surface pressure is smaller than the anharmonic one. (3) The above case is obvious when less atom number is small.
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Keywords:
- anharmonicity /
- nanodiamond /
- surface character /
- the number of atom
[1] Den Z J 1993 Superpatical and Fractal (Chongqing: Southwest China Normal University Press) p240 (in Chinese) [邓昭镜 1993 超微粒与分形(重庆:西南师范大学出版社) 第240页]
[2] Li J, Liu C Y, Liang Y P 1994 Acta Phys. Sin. 43 1876 (in Chinese) [李建, 刘存业, 梁一平 1994 43 1876]
[3] Zheng R L, Zhang C L 2005 Acta Phys. Sin. 54 886 (in Chinese) [郑瑞伦, 张翠玲 2005 54 886]
[4] Zheng R L,Wen G Z 2006 Acta Phys. Sin. 55 791 (in Chinese) [郑瑞伦, 文国知 2006 55 791]
[5] Gradecinky H T, Gercigorov L K 1989 Solid Phys. 31 13 (in Russian)
[6] Zheng R L, Liang Y P 1997 Chin. J. Mater. Res. 11 37 (in Chinese) [郑瑞伦, 梁一平 1997 材料研究学报 11 37]
[7] Zheng R L, Tao Y 2006 55 Acta Phys. Sin. 55 1942 (in Chinese) [郑瑞伦, 陶冶 2006 55 1942]
[8] Liu Y L, Sun F J, Yang B W, Jiang G 2007 Acta Phys. Sin. 56 5413 (in Chinese) [刘以良, 孙凡杰, 杨缤维, 蒋刚 2007 56 5413]
[9] Magomedov M H 2010 Solid Phys. 52 1206 (in Russian)
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[1] Den Z J 1993 Superpatical and Fractal (Chongqing: Southwest China Normal University Press) p240 (in Chinese) [邓昭镜 1993 超微粒与分形(重庆:西南师范大学出版社) 第240页]
[2] Li J, Liu C Y, Liang Y P 1994 Acta Phys. Sin. 43 1876 (in Chinese) [李建, 刘存业, 梁一平 1994 43 1876]
[3] Zheng R L, Zhang C L 2005 Acta Phys. Sin. 54 886 (in Chinese) [郑瑞伦, 张翠玲 2005 54 886]
[4] Zheng R L,Wen G Z 2006 Acta Phys. Sin. 55 791 (in Chinese) [郑瑞伦, 文国知 2006 55 791]
[5] Gradecinky H T, Gercigorov L K 1989 Solid Phys. 31 13 (in Russian)
[6] Zheng R L, Liang Y P 1997 Chin. J. Mater. Res. 11 37 (in Chinese) [郑瑞伦, 梁一平 1997 材料研究学报 11 37]
[7] Zheng R L, Tao Y 2006 55 Acta Phys. Sin. 55 1942 (in Chinese) [郑瑞伦, 陶冶 2006 55 1942]
[8] Liu Y L, Sun F J, Yang B W, Jiang G 2007 Acta Phys. Sin. 56 5413 (in Chinese) [刘以良, 孙凡杰, 杨缤维, 蒋刚 2007 56 5413]
[9] Magomedov M H 2010 Solid Phys. 52 1206 (in Russian)
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