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To know the basic configuration and application characteristics of aluminum (Al) nanostructure, the structure performances of carbon nanotube (CNT) and boron-nitride NT (BNNT) filled with Al atoms are studied through molecular dynamics. Optimization results show that the Al atoms in the tube are arranged neatly into various shapes of nanowires. A bunch of one-dimensional (1D) Al nanowires (AlNWs) is formed in (5, 5) CNT and BNNT, and large beams of AlNWs are formed in (10, 10) NT, including 11 beams of 1D AlNWs with highly axial symmetry in (10, 10) CNT and 5 beams of spiral AlNWs in BNNT (10, 10). Further data analysis for radical distribution function (RDF) shows that AlNWs inside CNT have larger atomic distribution density, but those inside BNNT with larger diameter have better crystallinity than those with similar size inside the CNT. These results can provide a method of designing the nanowires with different structures and shapes in different micro-nano devices (such as nanospring, nanosolenoid, and others). Comparison of the axial compression behaviors of the composite NTs and their energy analysis reveal that the critical buckling strain of AlNW@CNT is significantly larger than that of AlNW@BNNT. For the same type of compound structure, the buckling strain decreases with NT diameter increasing. Therefore, smaller AlNW@CNT has stronger axial compressive resistance. The main reasons are as follows: 1) The AlNW in carbon NTs has a relatively large Al atomic distribution in the axial direction, which is conducive to the formation of σ bond to increase structural stability and mechanical performance. It also plays a decisive role in enhancing compressive performance. 2) The AlNW in the large-diameter boron nitride NTs is helical in shape, and more Al atoms are distributed in the direction of the cross section, thereby relatively reducing the number of axial pressure-bearing atoms. In addition, for the same type of nanotube, a tube with a small diameter results in closer hexagons to the tube wall and larger interaction. These conditions are more conducive to resisting the transverse subsidence under axial pressure. The energy analysis results indicate that the van der Waals force is one of the main causes for NT composite stability and increasing compressive strength. These results can provide a reference for selecting different Al nanowire-reinforced composite structures under different application conditions, such as high temperature, high pressure, oxidation resistance, and others.
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Keywords:
- aluminum nanowires /
- carbon nanotube and boron-nitride nanotube /
- molecular dynamics /
- compressing property
[1] Zhang J M, Wang S F, Xu K W, Ji V 2010 J. Nanosci. Nanotechnol. 10 840
Google Scholar
[2] Arcidiacono S, Walther J H, Poulikakos D, Passerone D, Koumoutsakos P 2005 Phys. Rev. Lett. 94 105502
Google Scholar
[3] Hudziak S, Darfeuille A, Zhang R, Peijs T, Mountjoy G, Bertoni G, Baxendale M 2010 Nanotechnology 21 125505
Google Scholar
[4] Zhao D L, Zhang J M, Li X, Shen Z M 2010 J. Alloys Compd. 505 712
Google Scholar
[5] Xiao J, Ryu S Y, Huang Y, Hwang K C, Paik U, Rogers J A 2010 Nanotechnology 21 085708
Google Scholar
[6] Wang L, Zhang H W, Zhang Z Q, Zheng Y G, Wang J B 2007 Appl. Phys. Lett. 91 051122
Google Scholar
[7] Soldano G, Mariscal M M 2009 Nanotechnology 20 165705
Google Scholar
[8] Guo S H, Zhu B E, Ou X D, Pan Z Y, Wang Y X 2010 Carbon 48 4129
Google Scholar
[9] Zhang X Q, Li H, Liew K M 2007 J. Appl. Phys. 102 073709
Google Scholar
[10] Nishio K, Ozaki T, Morishita T, Mikami M 2008 Phys. Rev. B 77 201401
Google Scholar
[11] Lü Z Y, Hu Q K, Xu Z X, Wang J J, Chen Z H, Wang Y, Chen M, Zhou K, Zhou Y, Han S T 2019 Adv. Electron. Mater. 5 1800793
Google Scholar
[12] Cui Z, Han Y W, Huang Q J, Dong J Y, Zhu Y 2018 Nanoscale 10 6806
Google Scholar
[13] 王文慧, 张孬 2018 物理学报 67 247302
Google Scholar
Wang W H, Zhang N 2018 Acta Phys. Sin. 67 247302
Google Scholar
[14] Chen R, Hochbaum A I, Murphy P, Moore J, Yang P D, Majumdar A 2008 Phys. Rev. Lett. 101 105501
Google Scholar
[15] Wu Z G, Neaton J B, Grossman J C 2008 Phys. Rev. Lett. 100 246804
Google Scholar
[16] Blasé X, Fernandez-Serra M V 2008 Phys. Rev. Lett. 100 046802
Google Scholar
[17] Durgun E, Cakir D, Akman N, Ciraci S 2007 Phys. Rev. Lett. 99 256806
Google Scholar
[18] Leu P W, Svizhenko A, Cho K 2008 Phys. Rev. B 77 235305
Google Scholar
[19] Sorokin P B, Avramov P V, Kvashnin A G, Kvashnin D G, Ovchinnikov S G, Fedorov A S 2008 Phys. Rev. B 77 235417
Google Scholar
[20] 鹿业波, 顾金梅, 刘楚辉, 彭文利 2016 半导体光电 37 370
Lu Y B, Gu J M, Liu C H, Peng W L 2016 Semicond. Optoelectron. 37 370
[21] Hu L, Wu H, Cui Y 2011 MRS Bull. 36 760
Google Scholar
[22] Cho Y J, Park I J, Lee H J, Kim J G 2015 J. Power Sources 277 370
Google Scholar
[23] Lin M C, Gong M, Lu B, Wu Y, Wang D Y, Guan M, Angell M, Chen C, Yang J, Hwang B J, Dai H 2015 Nature 520 324
Google Scholar
[24] Li S, Niu J, Zhao Y C, So K P, Wang C, Wang C A, Li J 2015 Nat. Commun. 6 7872
Google Scholar
[25] Ju S, Li J, Liu J, Chen P C, Ha Y G, Ishikawa F, Chang H, Zhou C, Facchetti A, Janes D B, Marks T J 2008 Nano Lett. 8 997
Google Scholar
[26] Fu K K, Wang Z, Dai J, Carter M, Hu L 2016 Chem. Mater. 28 3527
Google Scholar
[27] Shaijumon M M, Perre E, Daffos B, Taberna P L, Tarascon J M, Simon P 2010 Adv. Mater. 22 4978
Google Scholar
[28] Das A, Ronen Y, Most Y, Oreg Y, Heiblum M, Shtrikman H 2012 Nat. Phys. 8 887
Google Scholar
[29] Li L, Xu X, Chew H, Huang X, Dou X, Pan S, Li G, Zhang L 2008 J. Phys. Chem. C 112 5328
Google Scholar
[30] Lu Y, Tohmyoh H, Saka M 2012 Thin Solid Films 520 3448
Google Scholar
[31] Sun Y X, Tohmoh H, Saka M 2009 J. Nanosci. Nanotechnol. 9 1972
Google Scholar
[32] Wang H, Li B 2018 J. Electrochem. Soc. 165 D641
Google Scholar
[33] Chen Y, Wang Y, Zhu S, Chen C, Danner V A, Li Y, Dai J, Li H, Fu K K, Li T, Liu Y, Hu L 2019 ACS Appl. Mater. Interfaces 11 6009
Google Scholar
[34] Azuma K, Sakajiri K, Okabe T, Matsumoto H, Kang S, Watanabe J, Tokita M 2017 Jpn. J. Appl. Phys. 56 095002
Google Scholar
[35] Chen Y, Zou J, Campbell S J, Le Caer G 2004 Appl. Phys. Lett. 84 2430
Google Scholar
[36] Yuan J H, Liew K M 2009 Carbon 47 713
Google Scholar
[37] Yuan J H, Liew K M 2009 Carbon 47 1526
Google Scholar
[38] Jing L, Tay R Y, Li H L, Tsang S H, Huang J F, Tan D L, Zhang B W, Teo E H T, Tok A I Y 2016 Nanoscale 8 11114
Google Scholar
[39] Xu F F, Bando Y, Golberg D, Hasegawa M, Mitome M 2004 Acta Mater. 52 601
Google Scholar
[40] Golberg D, Bando Y, Mitome M, Fushimi K, Tang C C 2004 Acta Mater. 52 3295
Google Scholar
[41] Ashrafi B, Jakubinek M B, Martinez-Rubi Y, Rahmat M, Djokic D, Laqua K, Park D, Kim K S, Simard B, Yousefpour A 2017 Acta Astronaut. 141 57
Google Scholar
[42] Xu X J G, Gilburd L, Bando Y, Golberg D, Walker G C 2016 J. Phys. Chem. C 120 1945
Google Scholar
[43] Tokoro H, Fujii S, Oku T 2005 Solid State Commun. 133 681
Google Scholar
[44] Yuan J H, Liew K M 2010 J. Comput. Theor. Nanosci. 7 1878
Google Scholar
[45] Kumar S, Srivastava V C, Mandal G K, Pattanayek S K, Sahoo K L 2017 J. Phys. Chem. C 121 20468
Google Scholar
[46] 袁剑辉, 黄维辉, 史向华, 杨昌虎 2013 稀有金属材料与工程 42 297
Google Scholar
Yuan J H, Huang W H, Shi X H, Yang C H 2013 Rare Metal. Mat. Eng. 42 297
Google Scholar
[47] 袁剑辉, 黄维辉, 史向华, 张振华 2012 无机化学学报 28 125
Yuan J H, Huang W H, Shi X H, Zhang Z H 2012 Chin. J. Inorg. Chem. 28 125
[48] Yuan J H, Liew K M 2011 J. Phys. Chem. C 115 431
Google Scholar
[49] Yuan J H, Liew K M 2011 Nanotechnology 22 085701
Google Scholar
[50] Yuan J H, Liew K M 2011 Carbon 49 677
Google Scholar
[51] Yuan J H, Zhang L W, Liew K M 2017 Computat. Mater. Sci. 133 130
Google Scholar
[52] Yuan J H, Zhang L W, Liew K M 2016 Current Nanosci. 12 636
Google Scholar
[53] Yuan J H, Zhang L W, Liew K M 2015 RSC Adv. 5 74399
Google Scholar
[54] Yuan J H, Liew K M 2014 Phys. Chem. Chem. Phys. 16 88
Google Scholar
[55] Rappe A K, Casewit C J, Colwell K S, Goddard W A, Skiff W M 1992 J. Am. Chem. Soc. 114 10024
Google Scholar
[56] Rappe A K, Colwell K S, Casewit C 1993 J. Inorg. Chem. 32 3438
Google Scholar
[57] Srivastava D, Menon M, Cho K 1999 J. Phys. Rev. Lett. 83 2973
Google Scholar
[58] Casewit C, J, Colwell K S, Rappe A K 1992 J. Am. Chem. Soc. 114 10046
Google Scholar
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-
[1] Zhang J M, Wang S F, Xu K W, Ji V 2010 J. Nanosci. Nanotechnol. 10 840
Google Scholar
[2] Arcidiacono S, Walther J H, Poulikakos D, Passerone D, Koumoutsakos P 2005 Phys. Rev. Lett. 94 105502
Google Scholar
[3] Hudziak S, Darfeuille A, Zhang R, Peijs T, Mountjoy G, Bertoni G, Baxendale M 2010 Nanotechnology 21 125505
Google Scholar
[4] Zhao D L, Zhang J M, Li X, Shen Z M 2010 J. Alloys Compd. 505 712
Google Scholar
[5] Xiao J, Ryu S Y, Huang Y, Hwang K C, Paik U, Rogers J A 2010 Nanotechnology 21 085708
Google Scholar
[6] Wang L, Zhang H W, Zhang Z Q, Zheng Y G, Wang J B 2007 Appl. Phys. Lett. 91 051122
Google Scholar
[7] Soldano G, Mariscal M M 2009 Nanotechnology 20 165705
Google Scholar
[8] Guo S H, Zhu B E, Ou X D, Pan Z Y, Wang Y X 2010 Carbon 48 4129
Google Scholar
[9] Zhang X Q, Li H, Liew K M 2007 J. Appl. Phys. 102 073709
Google Scholar
[10] Nishio K, Ozaki T, Morishita T, Mikami M 2008 Phys. Rev. B 77 201401
Google Scholar
[11] Lü Z Y, Hu Q K, Xu Z X, Wang J J, Chen Z H, Wang Y, Chen M, Zhou K, Zhou Y, Han S T 2019 Adv. Electron. Mater. 5 1800793
Google Scholar
[12] Cui Z, Han Y W, Huang Q J, Dong J Y, Zhu Y 2018 Nanoscale 10 6806
Google Scholar
[13] 王文慧, 张孬 2018 物理学报 67 247302
Google Scholar
Wang W H, Zhang N 2018 Acta Phys. Sin. 67 247302
Google Scholar
[14] Chen R, Hochbaum A I, Murphy P, Moore J, Yang P D, Majumdar A 2008 Phys. Rev. Lett. 101 105501
Google Scholar
[15] Wu Z G, Neaton J B, Grossman J C 2008 Phys. Rev. Lett. 100 246804
Google Scholar
[16] Blasé X, Fernandez-Serra M V 2008 Phys. Rev. Lett. 100 046802
Google Scholar
[17] Durgun E, Cakir D, Akman N, Ciraci S 2007 Phys. Rev. Lett. 99 256806
Google Scholar
[18] Leu P W, Svizhenko A, Cho K 2008 Phys. Rev. B 77 235305
Google Scholar
[19] Sorokin P B, Avramov P V, Kvashnin A G, Kvashnin D G, Ovchinnikov S G, Fedorov A S 2008 Phys. Rev. B 77 235417
Google Scholar
[20] 鹿业波, 顾金梅, 刘楚辉, 彭文利 2016 半导体光电 37 370
Lu Y B, Gu J M, Liu C H, Peng W L 2016 Semicond. Optoelectron. 37 370
[21] Hu L, Wu H, Cui Y 2011 MRS Bull. 36 760
Google Scholar
[22] Cho Y J, Park I J, Lee H J, Kim J G 2015 J. Power Sources 277 370
Google Scholar
[23] Lin M C, Gong M, Lu B, Wu Y, Wang D Y, Guan M, Angell M, Chen C, Yang J, Hwang B J, Dai H 2015 Nature 520 324
Google Scholar
[24] Li S, Niu J, Zhao Y C, So K P, Wang C, Wang C A, Li J 2015 Nat. Commun. 6 7872
Google Scholar
[25] Ju S, Li J, Liu J, Chen P C, Ha Y G, Ishikawa F, Chang H, Zhou C, Facchetti A, Janes D B, Marks T J 2008 Nano Lett. 8 997
Google Scholar
[26] Fu K K, Wang Z, Dai J, Carter M, Hu L 2016 Chem. Mater. 28 3527
Google Scholar
[27] Shaijumon M M, Perre E, Daffos B, Taberna P L, Tarascon J M, Simon P 2010 Adv. Mater. 22 4978
Google Scholar
[28] Das A, Ronen Y, Most Y, Oreg Y, Heiblum M, Shtrikman H 2012 Nat. Phys. 8 887
Google Scholar
[29] Li L, Xu X, Chew H, Huang X, Dou X, Pan S, Li G, Zhang L 2008 J. Phys. Chem. C 112 5328
Google Scholar
[30] Lu Y, Tohmyoh H, Saka M 2012 Thin Solid Films 520 3448
Google Scholar
[31] Sun Y X, Tohmoh H, Saka M 2009 J. Nanosci. Nanotechnol. 9 1972
Google Scholar
[32] Wang H, Li B 2018 J. Electrochem. Soc. 165 D641
Google Scholar
[33] Chen Y, Wang Y, Zhu S, Chen C, Danner V A, Li Y, Dai J, Li H, Fu K K, Li T, Liu Y, Hu L 2019 ACS Appl. Mater. Interfaces 11 6009
Google Scholar
[34] Azuma K, Sakajiri K, Okabe T, Matsumoto H, Kang S, Watanabe J, Tokita M 2017 Jpn. J. Appl. Phys. 56 095002
Google Scholar
[35] Chen Y, Zou J, Campbell S J, Le Caer G 2004 Appl. Phys. Lett. 84 2430
Google Scholar
[36] Yuan J H, Liew K M 2009 Carbon 47 713
Google Scholar
[37] Yuan J H, Liew K M 2009 Carbon 47 1526
Google Scholar
[38] Jing L, Tay R Y, Li H L, Tsang S H, Huang J F, Tan D L, Zhang B W, Teo E H T, Tok A I Y 2016 Nanoscale 8 11114
Google Scholar
[39] Xu F F, Bando Y, Golberg D, Hasegawa M, Mitome M 2004 Acta Mater. 52 601
Google Scholar
[40] Golberg D, Bando Y, Mitome M, Fushimi K, Tang C C 2004 Acta Mater. 52 3295
Google Scholar
[41] Ashrafi B, Jakubinek M B, Martinez-Rubi Y, Rahmat M, Djokic D, Laqua K, Park D, Kim K S, Simard B, Yousefpour A 2017 Acta Astronaut. 141 57
Google Scholar
[42] Xu X J G, Gilburd L, Bando Y, Golberg D, Walker G C 2016 J. Phys. Chem. C 120 1945
Google Scholar
[43] Tokoro H, Fujii S, Oku T 2005 Solid State Commun. 133 681
Google Scholar
[44] Yuan J H, Liew K M 2010 J. Comput. Theor. Nanosci. 7 1878
Google Scholar
[45] Kumar S, Srivastava V C, Mandal G K, Pattanayek S K, Sahoo K L 2017 J. Phys. Chem. C 121 20468
Google Scholar
[46] 袁剑辉, 黄维辉, 史向华, 杨昌虎 2013 稀有金属材料与工程 42 297
Google Scholar
Yuan J H, Huang W H, Shi X H, Yang C H 2013 Rare Metal. Mat. Eng. 42 297
Google Scholar
[47] 袁剑辉, 黄维辉, 史向华, 张振华 2012 无机化学学报 28 125
Yuan J H, Huang W H, Shi X H, Zhang Z H 2012 Chin. J. Inorg. Chem. 28 125
[48] Yuan J H, Liew K M 2011 J. Phys. Chem. C 115 431
Google Scholar
[49] Yuan J H, Liew K M 2011 Nanotechnology 22 085701
Google Scholar
[50] Yuan J H, Liew K M 2011 Carbon 49 677
Google Scholar
[51] Yuan J H, Zhang L W, Liew K M 2017 Computat. Mater. Sci. 133 130
Google Scholar
[52] Yuan J H, Zhang L W, Liew K M 2016 Current Nanosci. 12 636
Google Scholar
[53] Yuan J H, Zhang L W, Liew K M 2015 RSC Adv. 5 74399
Google Scholar
[54] Yuan J H, Liew K M 2014 Phys. Chem. Chem. Phys. 16 88
Google Scholar
[55] Rappe A K, Casewit C J, Colwell K S, Goddard W A, Skiff W M 1992 J. Am. Chem. Soc. 114 10024
Google Scholar
[56] Rappe A K, Colwell K S, Casewit C 1993 J. Inorg. Chem. 32 3438
Google Scholar
[57] Srivastava D, Menon M, Cho K 1999 J. Phys. Rev. Lett. 83 2973
Google Scholar
[58] Casewit C, J, Colwell K S, Rappe A K 1992 J. Am. Chem. Soc. 114 10046
Google Scholar
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