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The relaxation properties of single layer and multilayer graphene sheets were investigated using molecular dynamics simulation with REBO and AIREBO bond-order interatomic potential, respectively. The dynamic evolution of graphene sheets during relaxation was analyzed. The simulation shows that the sheets are not perfectly flat after relaxation，but show microscopic wavy corrugations at the sheets edges，but not in other areas. In addition，the waviness at the edges of multilayer graphene sheets is a little less than that of the single layer sheets.
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Keywords:
- graphene /
- relaxation properties /
- roughness /
- molecular dynamics method
[1] ［1］Geim A K，Novoselov，K S 2007 Nature Mater. 6 183
[2] ［2］Novoselov K S，Geim A K，Morozov S V，Jiang D，Zhang Y，Dubonos S V，Grigorieva I V，Firsov A A 2004 Science 306 666
[3] ［3］Novoselov K S，Jiang D，Schedin F，Booth T J，Khotkevich V V，Morozov S V，Geim A K 2005 Proc. Natl. Acad. Sci. USA 102 10451
[4] ［4］Chinese Academy of Sciences 2008 Science Development Report (Beijing：Science Press) p33 (in Chinese) ［中国科学院 2008 科学发展报告(北京：科学出版社)第33页］
[5] ［5］Mermin N D 1968 Phys. Rev. 176 250
[6] ［6］Mermin N D，Wagner H 1966 Phys. Rev. Lett. 17 1133
[7] ［7］Nelson D R，Peliti L 1987 J. Phys. 48 1085
[8] ［8］Le Doussal P，Radzihovsky L 1992 Phys. Rev. Lett. 69 1209
[9] ［9］Meyer J C，Geim A K，Katsnelson M I，Novoselov K S，Booth T J，Roth S 2007 Nature 446 60
[10] ］Meyer J C，Geimc A K，Katsnelsond M I，Novoselovc K S，Obergfelle D，Rothe S，Girit C，Zettl A 2007 Solid State Commun. 143 101
[11] ］Ishigami M，Chen J H，Cullen W G，Fuhrer M S，Williams E D 2007 Nano Lett.7 1643
[12] ］Allen M P，Tildesley D J 1991 Computer Simulation of Liquids (Oxford：Clarendon Press) p71—82
[13] ］Tian J H，Han X，Liu G R，Long X Y，Qin J Q 2007 Acta Phys. Sin. 56 643 (in Chinese) ［田建辉、韩旭、刘桂荣、龙述尧、秦金旗 2007 物理学报 56 643］
[14] ］Han T W，He P F，Wang J，Zhen B L，Wu A H 2009 Sci. China Ser. G 39 1312 (in Chinese) ［韩同伟、贺鹏飞、王健、郑百林、吴艾辉 2009 中国科学G辑 39 1312］
[15] ］Yakobson B I，Brabec C J，Bernholc J 1996 Phys. Rev. Lett. 76 2511
[16] ］Wang Y，Wang X X，Ni X G，Wu H A 2003 Acta Phys. Sin. 52 3120 (in Chinese) ［王宇、王秀喜、倪向贵、吴恒安 2003 物理学报 52 3120］
[17] ］Ni X G，Yin J W 2006 Acta Phys. Sin. 55 6522 (in Chinese) ［倪向贵、殷建伟 2006 物理学报 55 6522］
[18] ］Yuan J H，Cheng Y M 2007 Acta Phys. Sin. 56 4810 (in Chinese) ［袁剑辉、程玉民 2007 物理学报 56 4810］
[19] ］Yuan J H，Cheng Y M，Zhang Z H 2009 Acta Phys. Sin. 58 2578 (in Chinese) ［袁剑辉、程玉民、张振华 2009 物理学报 58 2578］
[20] ］Yuan J H，Cheng Y M 2007 Acta Phys. Chim. Sin. 23 889 (in Chinese) ［袁剑辉、程玉民 2007 物理化学学报 23 889］
[21] ］Bernal J D 1924 Proc. R. Soc. London Ser. A 106 749
[22] ］Nemec N，Cuniberti G 2007 Phys. Rev. B 75 201404
[23] ］Brenner D W，Shenderova O A，Harrison J A，Stuart S J，Ni B，Sinnott S B 2002 J. Phys.：Condens. Matter. 14 783
[24] ］Lee C G，Wei X D，Kysar J W，Hone J 2008 Science 321 385
[25] ］Ni Z H，Wang H M，Kasim J，Fan H M，Yu T，Wu Y H，Feng Y P，Shen Z X 2007 Nano Lett. 7 2758
[26] ］Dresselhaus M S，Dresselhaus G，Eklund P C 1996 Science of Fullerenes and Carbon Nanotubes (San Diego：Academic Press) p965
[27] ］Brenner D W 1990 Phys. Rev. B 42 9458
[28] ］Tersoff J 1989 Phys. Rev. B 39 5566
[29] ］Tersoff J 1990 Phys. Rev. B 41 3248
[30] ］Stuart S J，Tutein A B，Harrison，J A 2000 J. Chem. Phys. 112 6472
[31] ］Fasolino A，Los J H，Katsnelson M I 2007 Nature Mater. 6 858
[32] ］Carlsson J M 2007 Nature Mater. 6 801
[33] ］Ouyang Y，Peng J C，Wang H，Yi S P 2008 Acta Phys. Sin. 57 615 (in Chinese) ［欧阳玉、彭景翠、王慧、易双萍 2008 物理学报 57 615］
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[1] ［1］Geim A K，Novoselov，K S 2007 Nature Mater. 6 183
[2] ［2］Novoselov K S，Geim A K，Morozov S V，Jiang D，Zhang Y，Dubonos S V，Grigorieva I V，Firsov A A 2004 Science 306 666
[3] ［3］Novoselov K S，Jiang D，Schedin F，Booth T J，Khotkevich V V，Morozov S V，Geim A K 2005 Proc. Natl. Acad. Sci. USA 102 10451
[4] ［4］Chinese Academy of Sciences 2008 Science Development Report (Beijing：Science Press) p33 (in Chinese) ［中国科学院 2008 科学发展报告(北京：科学出版社)第33页］
[5] ［5］Mermin N D 1968 Phys. Rev. 176 250
[6] ［6］Mermin N D，Wagner H 1966 Phys. Rev. Lett. 17 1133
[7] ［7］Nelson D R，Peliti L 1987 J. Phys. 48 1085
[8] ［8］Le Doussal P，Radzihovsky L 1992 Phys. Rev. Lett. 69 1209
[9] ［9］Meyer J C，Geim A K，Katsnelson M I，Novoselov K S，Booth T J，Roth S 2007 Nature 446 60
[10] ］Meyer J C，Geimc A K，Katsnelsond M I，Novoselovc K S，Obergfelle D，Rothe S，Girit C，Zettl A 2007 Solid State Commun. 143 101
[11] ］Ishigami M，Chen J H，Cullen W G，Fuhrer M S，Williams E D 2007 Nano Lett.7 1643
[12] ］Allen M P，Tildesley D J 1991 Computer Simulation of Liquids (Oxford：Clarendon Press) p71—82
[13] ］Tian J H，Han X，Liu G R，Long X Y，Qin J Q 2007 Acta Phys. Sin. 56 643 (in Chinese) ［田建辉、韩旭、刘桂荣、龙述尧、秦金旗 2007 物理学报 56 643］
[14] ］Han T W，He P F，Wang J，Zhen B L，Wu A H 2009 Sci. China Ser. G 39 1312 (in Chinese) ［韩同伟、贺鹏飞、王健、郑百林、吴艾辉 2009 中国科学G辑 39 1312］
[15] ］Yakobson B I，Brabec C J，Bernholc J 1996 Phys. Rev. Lett. 76 2511
[16] ］Wang Y，Wang X X，Ni X G，Wu H A 2003 Acta Phys. Sin. 52 3120 (in Chinese) ［王宇、王秀喜、倪向贵、吴恒安 2003 物理学报 52 3120］
[17] ］Ni X G，Yin J W 2006 Acta Phys. Sin. 55 6522 (in Chinese) ［倪向贵、殷建伟 2006 物理学报 55 6522］
[18] ］Yuan J H，Cheng Y M 2007 Acta Phys. Sin. 56 4810 (in Chinese) ［袁剑辉、程玉民 2007 物理学报 56 4810］
[19] ］Yuan J H，Cheng Y M，Zhang Z H 2009 Acta Phys. Sin. 58 2578 (in Chinese) ［袁剑辉、程玉民、张振华 2009 物理学报 58 2578］
[20] ］Yuan J H，Cheng Y M 2007 Acta Phys. Chim. Sin. 23 889 (in Chinese) ［袁剑辉、程玉民 2007 物理化学学报 23 889］
[21] ］Bernal J D 1924 Proc. R. Soc. London Ser. A 106 749
[22] ］Nemec N，Cuniberti G 2007 Phys. Rev. B 75 201404
[23] ］Brenner D W，Shenderova O A，Harrison J A，Stuart S J，Ni B，Sinnott S B 2002 J. Phys.：Condens. Matter. 14 783
[24] ］Lee C G，Wei X D，Kysar J W，Hone J 2008 Science 321 385
[25] ］Ni Z H，Wang H M，Kasim J，Fan H M，Yu T，Wu Y H，Feng Y P，Shen Z X 2007 Nano Lett. 7 2758
[26] ］Dresselhaus M S，Dresselhaus G，Eklund P C 1996 Science of Fullerenes and Carbon Nanotubes (San Diego：Academic Press) p965
[27] ］Brenner D W 1990 Phys. Rev. B 42 9458
[28] ］Tersoff J 1989 Phys. Rev. B 39 5566
[29] ］Tersoff J 1990 Phys. Rev. B 41 3248
[30] ］Stuart S J，Tutein A B，Harrison，J A 2000 J. Chem. Phys. 112 6472
[31] ］Fasolino A，Los J H，Katsnelson M I 2007 Nature Mater. 6 858
[32] ］Carlsson J M 2007 Nature Mater. 6 801
[33] ］Ouyang Y，Peng J C，Wang H，Yi S P 2008 Acta Phys. Sin. 57 615 (in Chinese) ［欧阳玉、彭景翠、王慧、易双萍 2008 物理学报 57 615］
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