Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Simulation studies on the influence of nanofilm thickness on the elastic properties of B2-NiAl

Yang Xi-Yuan Zhang Jin-Ping Wu Yu-Rong Liu Fu-Sheng

Citation:

Simulation studies on the influence of nanofilm thickness on the elastic properties of B2-NiAl

Yang Xi-Yuan, Zhang Jin-Ping, Wu Yu-Rong, Liu Fu-Sheng
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

  • In this paper the molecular dynamics (MD) technique and the modified analytic embedded atom method (MAEAM) are applied to study the influence of size and surface condition of the nanofilm on the elastic properties of B2-NiAl, The elastic properties of the bulk NiAl alloy and the size dependence of the surface energy of nanofilms are first calculated. It is found that the calculated results of the elastic properties are consistent with those from experiments and theories; and the surface energy, which is barely influenced by the thickness, is controlled by the surface atomic composition. On this basis, our investigations are mainly focused on the relationship between the elastic properties of nanofilms and their thickness. The obtained results indicate that the elastic properties of the nanofilm may change exponentially with the increasing thickness, which can also be regulated by the surface atomic composition. Furthermore, the inherent mechanism of the thicknes and surface that affects this relationship is analyzed in detail, showing that the surface atomic composition and the deviation of interplanar spacing in nanofims are two major factors for determining the thickness dependence of the elastic properties. These are in good agreement with the previous theoretical and experimental studies.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant No. 51201063), and the Scientific Research foundation of Hunan University of Arts and Science, China (Grant Nos. 13ZD11, 13YB31).
    [1]

    Darolia R, Lahrman D, Field R 1992 Script. Metall. Mater. 26 1007

    [2]

    Xu Q C, Ven A V 2011 Acta Mater. 59 1095

    [3]

    Su J X, Lu P C, Wang Z P 2013 Transactions of the China Welding Institution 34 65 (in Chinese) [苏景新, 路鹏程, 王志平 2013 焊接学报 34 65]

    [4]

    Xu G H, Zhang K F, Huang Z Q 2012 Adv. Powder Technol. 23 366

    [5]

    Sierra S, Vázquez A J 2006 Intermetallics 14 848

    [6]

    Sierra S, Vázquez A J 2006 Surf. Coat. Tech. 200 4383

    [7]

    Gleeson B 2006 J. Propul. Power 22 375

    [8]

    Ou T P, Cao G H 2012 The Chinese Journal of Nonferrous Metals 22 1725 (in Chinese) [欧桃平, 操光辉 2012 中国有色金属学报 22 1725]

    [9]

    Liu C T, Stringer J, Mundy J N 1997 Intermetallics 5 579

    [10]

    Fertig R S, Baker S P 2009 Prog. Mater. Sci. 54 874

    [11]

    Ren X P, Zhou B, Li L T, Wang C L 2013 Chin. Phys. B 22 016801

    [12]

    Wang Y, Song Z X, Xu K W 2007 Acta Phys. Sin. 56 7248 (in Chinese) [汪渊, 宋忠孝, 徐可为 2007 物理学报 56 7248]

    [13]

    Tang Y Z, Zheng Z J, Xia M F, Bai Y L 2009 Acta Mech. Solid. Sin. 22 605

    [14]

    Dolgusheva E B, Trubitsin V Yu 2014 Comput. Mater. Sci. 84 23

    [15]

    Wu Y R 2007 Ph. D. Dissertation (Changsha: Hunan University) (in Chinese) p16-20 [吴玉蓉2007博士学位论文(长沙: 湖南大学)第16–20页]

    [16]

    Yang X Y, Hu W Y, Zhang X M 2013 Appl. Surf. Sci. 264 563

    [17]

    Parrinello M, Rahman A 1981 J. Appl. Phys. 52 7182

    [18]

    Nosé S 1984 J. Chem. Phys. 81 511

    [19]

    Hoover W G 1985 Phys. Rev. A 31 1695

    [20]

    Chen G, Liao L J, Hao W 2007 The Basis of Crystal Physics (The 2nd Edition) (Beijing: Science Press) p153-164 [陈纲, 廖理几, 郝伟2007晶体物理学基础(第二版) (北京: 科学出版社), 第153–164页]

    [21]

    Çağin T, Ray J R 1988 Phys. Rev. B 38 7940

    [22]

    Çağin T, Ray J R 1988 Phys. Rev. B 37 699

    [23]

    Rusovic N, Warlimont H 1977 Phys. Stat. Solid. A 44 609

    [24]

    Davenprot T, Zhou T, Trivisonc 1999 Phys. Rev. B 59 3421

    [25]

    Lu Y L, Hou Y H, Chen Z, Mu H 2013 Sci. Chin.: Phys. Mech. Astrom. 43 152 (in Chinese) [卢艳丽, 侯华欣, 陈铮, 牧虹2013中国科学: 物理力学天文学 43 152]

    [26]

    Hu Y J, Peng P, Li G F, Zhou D W, Han S C 2006 The Chinese Journal of Nonferrous Metals 16 47 (in Chinese) [胡艳军, 彭平, 李贵发, 周惦武, 韩绍昌2006中国有色金属学报 16 47]

    [27]

    Zhang J H, Wu S Q, Wen Y H, Zhu Z Z 2010 J. At. Mol. Sci. 1 253

    [28]

    Wang S Q, Ye H Q 2003 J. Phys.: Conden. Matt. 15 5307

    [29]

    Chen Q Y, Tan S Y, Lai X C, Chen J 2012 Chin. Phys. B 21 087801

    [30]

    Garruchet S, Politana O, Salazar J M, Montesin T 2005 Surf. Sci. 586 15

    [31]

    Zhang J M, Ma F, Xu K W 2004 Chin. Phys. 13 1082

    [32]

    Wang B, Zhang J M, Lu Y D, Gan X Y, Yin B X, Xu K W 2011 Acta Phys. Sin. 60 016601 (in Chinese) [王博, 张建民, 路严冬, 甘秀英, 殷保祥, 徐可为 2011 物理学报 60 016601]

    [33]

    Sha X W, Zhang X M, Chen K Y, Li Y Y 1996 Acta Metel. Sin. 32 1184 (in Chinese) [沙宪伟, 张修睦, 陈魁英, 李依依 1996 金属学报 32 1184]

    [34]

    Kuznetsov V M K, Kadtrov R I, Rudenskii G E 1998 J. Mater. Sci. Technol. 14 320

    [35]

    Yan X L, Wang J Y 2013 Thin Solid Films 529 483

    [36]

    Ronald E M, Vijay B S 2000 Nanotechnology 11 139

    [37]

    Chen K Y, Zhao L R, John R, John S T 2003 J. Phys. D: Appl. Phys. 36 2725

    [38]

    Jhi S H, Ihm J, Louie G S, Marvin L C 1999 Nature 399 132

    [39]

    Hsieh C L, Tuan W H, Wu T T 2004 J. Eur. Ceramic Soc. 24 3789

    [40]

    Zheng H, Shen L, Bai B, Sun B 2012 Acta Phys. Sin. 61 016104 (in Chinese) [郑晖, 申亮, 白彬, 孙博 2012 物理学报 61 016104]

    [41]

    Yang XY, Hu W Y 2014 J. Appl. Phys. 115 153507

    [42]

    Meng D Y, Lin P, Yan X S, Qi X, Yang L 2012 J. Phys. Chem. Solid. 73 881

    [43]

    Sun X L, Hong R J, Qi H J, Fan X Z, Shao J D 2006 Acta. Phys. Sin. 55 4923 (in Chinese) [孙喜莲, 洪瑞金, 齐红基, 范正修, 邵建达 2006 物理学报 55 4923]

    [44]

    Li R, Zhong Y H, Huang C, Tao X M, Ouyang Y F 2013 Physica B 422 51

  • [1]

    Darolia R, Lahrman D, Field R 1992 Script. Metall. Mater. 26 1007

    [2]

    Xu Q C, Ven A V 2011 Acta Mater. 59 1095

    [3]

    Su J X, Lu P C, Wang Z P 2013 Transactions of the China Welding Institution 34 65 (in Chinese) [苏景新, 路鹏程, 王志平 2013 焊接学报 34 65]

    [4]

    Xu G H, Zhang K F, Huang Z Q 2012 Adv. Powder Technol. 23 366

    [5]

    Sierra S, Vázquez A J 2006 Intermetallics 14 848

    [6]

    Sierra S, Vázquez A J 2006 Surf. Coat. Tech. 200 4383

    [7]

    Gleeson B 2006 J. Propul. Power 22 375

    [8]

    Ou T P, Cao G H 2012 The Chinese Journal of Nonferrous Metals 22 1725 (in Chinese) [欧桃平, 操光辉 2012 中国有色金属学报 22 1725]

    [9]

    Liu C T, Stringer J, Mundy J N 1997 Intermetallics 5 579

    [10]

    Fertig R S, Baker S P 2009 Prog. Mater. Sci. 54 874

    [11]

    Ren X P, Zhou B, Li L T, Wang C L 2013 Chin. Phys. B 22 016801

    [12]

    Wang Y, Song Z X, Xu K W 2007 Acta Phys. Sin. 56 7248 (in Chinese) [汪渊, 宋忠孝, 徐可为 2007 物理学报 56 7248]

    [13]

    Tang Y Z, Zheng Z J, Xia M F, Bai Y L 2009 Acta Mech. Solid. Sin. 22 605

    [14]

    Dolgusheva E B, Trubitsin V Yu 2014 Comput. Mater. Sci. 84 23

    [15]

    Wu Y R 2007 Ph. D. Dissertation (Changsha: Hunan University) (in Chinese) p16-20 [吴玉蓉2007博士学位论文(长沙: 湖南大学)第16–20页]

    [16]

    Yang X Y, Hu W Y, Zhang X M 2013 Appl. Surf. Sci. 264 563

    [17]

    Parrinello M, Rahman A 1981 J. Appl. Phys. 52 7182

    [18]

    Nosé S 1984 J. Chem. Phys. 81 511

    [19]

    Hoover W G 1985 Phys. Rev. A 31 1695

    [20]

    Chen G, Liao L J, Hao W 2007 The Basis of Crystal Physics (The 2nd Edition) (Beijing: Science Press) p153-164 [陈纲, 廖理几, 郝伟2007晶体物理学基础(第二版) (北京: 科学出版社), 第153–164页]

    [21]

    Çağin T, Ray J R 1988 Phys. Rev. B 38 7940

    [22]

    Çağin T, Ray J R 1988 Phys. Rev. B 37 699

    [23]

    Rusovic N, Warlimont H 1977 Phys. Stat. Solid. A 44 609

    [24]

    Davenprot T, Zhou T, Trivisonc 1999 Phys. Rev. B 59 3421

    [25]

    Lu Y L, Hou Y H, Chen Z, Mu H 2013 Sci. Chin.: Phys. Mech. Astrom. 43 152 (in Chinese) [卢艳丽, 侯华欣, 陈铮, 牧虹2013中国科学: 物理力学天文学 43 152]

    [26]

    Hu Y J, Peng P, Li G F, Zhou D W, Han S C 2006 The Chinese Journal of Nonferrous Metals 16 47 (in Chinese) [胡艳军, 彭平, 李贵发, 周惦武, 韩绍昌2006中国有色金属学报 16 47]

    [27]

    Zhang J H, Wu S Q, Wen Y H, Zhu Z Z 2010 J. At. Mol. Sci. 1 253

    [28]

    Wang S Q, Ye H Q 2003 J. Phys.: Conden. Matt. 15 5307

    [29]

    Chen Q Y, Tan S Y, Lai X C, Chen J 2012 Chin. Phys. B 21 087801

    [30]

    Garruchet S, Politana O, Salazar J M, Montesin T 2005 Surf. Sci. 586 15

    [31]

    Zhang J M, Ma F, Xu K W 2004 Chin. Phys. 13 1082

    [32]

    Wang B, Zhang J M, Lu Y D, Gan X Y, Yin B X, Xu K W 2011 Acta Phys. Sin. 60 016601 (in Chinese) [王博, 张建民, 路严冬, 甘秀英, 殷保祥, 徐可为 2011 物理学报 60 016601]

    [33]

    Sha X W, Zhang X M, Chen K Y, Li Y Y 1996 Acta Metel. Sin. 32 1184 (in Chinese) [沙宪伟, 张修睦, 陈魁英, 李依依 1996 金属学报 32 1184]

    [34]

    Kuznetsov V M K, Kadtrov R I, Rudenskii G E 1998 J. Mater. Sci. Technol. 14 320

    [35]

    Yan X L, Wang J Y 2013 Thin Solid Films 529 483

    [36]

    Ronald E M, Vijay B S 2000 Nanotechnology 11 139

    [37]

    Chen K Y, Zhao L R, John R, John S T 2003 J. Phys. D: Appl. Phys. 36 2725

    [38]

    Jhi S H, Ihm J, Louie G S, Marvin L C 1999 Nature 399 132

    [39]

    Hsieh C L, Tuan W H, Wu T T 2004 J. Eur. Ceramic Soc. 24 3789

    [40]

    Zheng H, Shen L, Bai B, Sun B 2012 Acta Phys. Sin. 61 016104 (in Chinese) [郑晖, 申亮, 白彬, 孙博 2012 物理学报 61 016104]

    [41]

    Yang XY, Hu W Y 2014 J. Appl. Phys. 115 153507

    [42]

    Meng D Y, Lin P, Yan X S, Qi X, Yang L 2012 J. Phys. Chem. Solid. 73 881

    [43]

    Sun X L, Hong R J, Qi H J, Fan X Z, Shao J D 2006 Acta. Phys. Sin. 55 4923 (in Chinese) [孙喜莲, 洪瑞金, 齐红基, 范正修, 邵建达 2006 物理学报 55 4923]

    [44]

    Li R, Zhong Y H, Huang C, Tao X M, Ouyang Y F 2013 Physica B 422 51

  • [1] Effect of film thickness on photoelectric properties of β-Ga2O3 films by radio frequency magnetron sputtering*. Acta Physica Sinica, 2021, (): . doi: 10.7498/aps.70.20211744
    [2] Wang Jian-Tao, Xiao Wen-Bo, Xia Qing-Gan, Wu Hua-Ming, Li Fan, Huang Le. Influence of back electrode material, structure and thickness on performance of perovskite solar cells. Acta Physica Sinica, 2021, 70(19): 198404. doi: 10.7498/aps.70.20211037
    [3] Liu Lei, Chen Zheng, Wang Yong-Xin. Simulation of precipitate splitting in an alloy (Ⅱ): Elastic energy collapse. Acta Physica Sinica, 2015, 64(1): 016401. doi: 10.7498/aps.64.016401
    [4] Fan Qian, Xu Jian-Gang, Song Hai-Yang, Zhang Yun-Guang. Effects of layer thickness and strain rate on mechanical properties of copper-gold multilayer nanowires. Acta Physica Sinica, 2015, 64(1): 016201. doi: 10.7498/aps.64.016201
    [5] Yang Xi-Yuan, Quan Jun. Simulations of the size effect on the elastic properties and the inherent mechanism of metallic nanowire. Acta Physica Sinica, 2015, 64(11): 116201. doi: 10.7498/aps.64.116201
    [6] Cui Jian-Jun, Gao Si-Tian. Nanometer film thickness metrology and traceability based on grazing incidence X-ray reflectometry. Acta Physica Sinica, 2014, 63(6): 060601. doi: 10.7498/aps.63.060601
    [7] Zhang Yun, Xie Zi-Li, Wang-Jian, Tao Tao, Zhang Rong, Liu Bin, Chen Peng, Han Ping, Shi Yi, Zheng You-Dou. Mosaic structure in epitaxial GaN filmvarying with thickness. Acta Physica Sinica, 2013, 62(5): 056101. doi: 10.7498/aps.62.056101
    [8] Chen Yi-Ling, Zhang Chen, He Fa, Wang Da, Wang Yue, Feng Qing-Rong. Thickness dependence of critical current density in MgB2 films fabricated by hybrid physical-chemical vapor deposition. Acta Physica Sinica, 2013, 62(19): 197401. doi: 10.7498/aps.62.197401
    [9] Lu Fei-Ping, Li Jian-Feng, Sun Shuo. Influence of the functional layer thickness on the light output property of tandem organic light emitting diode:a numerical study. Acta Physica Sinica, 2013, 62(24): 247201. doi: 10.7498/aps.62.247201
    [10] Tian Jing, Yang Xing, Liu Shang-Jun, Lian Xiao-Juan, Chen Jin-Wei, Wang Rui-Lin. Effect of thickness on the properties of Cu(Inx,Ga1-x)Se2 back conduct Mo thin films prepared by DC sputtering. Acta Physica Sinica, 2013, 62(11): 116801. doi: 10.7498/aps.62.116801
    [11] Yi Tai-Min, Xing Pi-Feng, Du Kai, Zheng Feng-Cheng, Yang Meng-Sheng, Xie Jun, Li Chao-Yang. Preparation and characteristic study of nanometer thickness depleted uranium / Au multilayer. Acta Physica Sinica, 2012, 61(8): 088103. doi: 10.7498/aps.61.088103
    [12] Yu Huang-Zhong, Wen Yuan-Xin. Influence of the thickness and cathode material on the performance of the polymer solar cell. Acta Physica Sinica, 2011, 60(3): 038401. doi: 10.7498/aps.60.038401
    [13] Yang Zhi, Zou Ji-Jun, Chang Ben-Kang. Research on the optimal thickness of transmission-mode exponential-doping GaAs photocathode. Acta Physica Sinica, 2010, 59(6): 4290-4295. doi: 10.7498/aps.59.4290
    [14] Effects of emitting and hole transporting layers on the performance of white organic light-emitting divice. Acta Physica Sinica, 2007, 56(12): 7213-7218. doi: 10.7498/aps.56.7213
    [15] Ni Xiang-Gui, Yin Jian-Wei. Atomic modeling on the elastic properties of double-walled carbon nanotubes under tension. Acta Physica Sinica, 2006, 55(12): 6522-6525. doi: 10.7498/aps.55.6522
    [16] Zhang Zhi, Chen Chun-Ling, Wang Zhao-Long, Yu Dong-Man. Elastic behaviour of Nd60Al10Fe20Co10 bulk metallic glass under pressure. Acta Physica Sinica, 2006, 55(11): 5975-5979. doi: 10.7498/aps.55.5975
    [17] Wu Xian-Yong, Xia Zhong-Fu, An Zhen-Lian, Zhang Peng-Feng. Influence of thickness on charge storage and dynamic properties of nonpolar film electrets. Acta Physica Sinica, 2004, 53(12): 4325-4329. doi: 10.7498/aps.53.4325
    [18] LIU SHUANG, NING YONG-GONG, ZHANG YI, ZHANG HUAI-WU, CHEN AI, LIU JUN-GANG, YANG JIA-DE, LI KUN. STUDY ON A METHOD OF THE THICKNESS MEASUREMENT OF ULTRA-THIN PtSi FILM. Acta Physica Sinica, 2001, 50(8): 1447-1450. doi: 10.7498/aps.50.1447
    [19] HE YAN-CAI, HUANG YUE-HONG, SUN JING, CHEN YU-SAN. MONTE CARLO CALCULATION ON THE MEASUREMENT OF THICKNESS OF THIN FILMS IN MICRO-DOMAIN. Acta Physica Sinica, 1982, 31(1): 115-120. doi: 10.7498/aps.31.115
    [20] YEH KAI-YUAN. BENDING OF A THIN ELASTIC PLATE OF VARIABLE THICKNESS. Acta Physica Sinica, 1955, 11(3): 207-218. doi: 10.7498/aps.11.207
Metrics
  • Abstract views:  4570
  • PDF Downloads:  510
  • Cited By: 0
Publishing process
  • Received Date:  24 May 2014
  • Accepted Date:  21 August 2014
  • Published Online:  05 January 2015

/

返回文章
返回