메뉴 건너뛰기




Volumn 88, Issue 6, 2013, Pages

Screened environment-dependent reactive empirical bond-order potential for atomistic simulations of carbon materials

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84883362891     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.064101     Document Type: Article
Times cited : (42)

References (81)
  • 2
    • 22844440175 scopus 로고    scopus 로고
    • Thin film deposition of tetrahedral amorphous carbon: A molecular dynamics study
    • DOI 10.1016/j.diamond.2004.10.047, PII S092596350400439X, SMAC '04 Conference Proceedings S. I.
    • N. Marks, Diamond Relat. Mater. DRMTE3 0925-9635 10.1016/j.diamond.2004. 10.047 14, 1223 (2005). (Pubitemid 41036916)
    • (2005) Diamond and Related Materials , vol.14 , Issue.8 , pp. 1223-1231
    • Marks, N.A.1
  • 3
    • 0000511579 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.373787
    • H. U. Jäger and K. Albe, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.373787 88, 1129 (2000).
    • (2000) J. Appl. Phys. , vol.88 , pp. 1129
    • Jäger, H.U.1    Albe, K.2
  • 4
    • 0141676734 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.68.024201
    • H. U. Jäger and A. Yu. Belov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.024201 68, 024201 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 024201
    • Jäger, H.U.1    Yu. Belov, A.2
  • 7
    • 0012654085 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.60.13786
    • A. Garg and S. B. Sinnott, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.13786 60, 13786 (1999).
    • (1999) Phys. Rev. B , vol.60 , pp. 13786
    • Garg, A.1    Sinnott, S.B.2
  • 8
    • 0037134890 scopus 로고    scopus 로고
    • Molecular-scale tribology of amorphous carbon coatings: Effects of film thickness, adhesion, and long-range interactions
    • DOI 10.1021/ja0178618
    • G. T. Gao, P. T. Mikulski, and J. A. Harrison, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0178618 124, 7202 (2002). (Pubitemid 34633624)
    • (2002) Journal of the American Chemical Society , vol.124 , Issue.24 , pp. 7202-7209
    • Gao, G.T.1    Mikulski, P.T.2    Harrison, J.A.3
  • 9
    • 11744345147 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.81.2260
    • A. Garg, J. Han, and S. B. Sinnott, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.2260 81, 2260 (1998).
    • (1998) Phys. Rev. Lett. , vol.81 , pp. 2260
    • Garg, A.1    Han, J.2    Sinnott, S.B.3
  • 10
  • 11
    • 77956303501 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.81.235421
    • M. Neek-Amal and F. M. Peeters, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.235421 81, 235421 (2010).
    • (2010) Phys. Rev. B , vol.81 , pp. 235421
    • Neek-Amal, M.1    Peeters, F.M.2
  • 12
    • 34249663875 scopus 로고    scopus 로고
    • Atomic-scale friction on diamond: A comparison of different sliding directions on (001) and (111) surfaces using MD and AFM
    • DOI 10.1021/la062254p
    • G. Gao, R. J. Cannara, R. W. Carpick, and J. A. Harrison, Langmuir LANGD5 0743-7463 10.1021/la062254p 23, 5394 (2007). (Pubitemid 46830409)
    • (2007) Langmuir , vol.23 , Issue.10 , pp. 5394-5405
    • Gao, G.1    Cannara, R.J.2    Carpick, R.W.3    Harrison, J.A.4
  • 18
    • 4644252328 scopus 로고    scopus 로고
    • A tunable carbon nanotube electrochemical oscillator
    • DOI 10.1038/nature02905
    • V. Sazonova, Y. Yaish, H. Ustünel, D. Roundy, T. A. Arias, and P. L. McEuen, Nature (London) NATUAS 0028-0836 10.1038/nature02905 431, 284 (2004). (Pubitemid 39265658)
    • (2004) Nature , vol.431 , Issue.7006 , pp. 284-287
    • Sazonova, V.1    Yalsh, Y.2    Ustunel, I.3    Roundy, D.4    Arlas, T.A.5    McEuen, P.L.6
  • 21
    • 68949092055 scopus 로고    scopus 로고
    • NALEFD 1530-6984 10.1021/nl901448z
    • H. Zhao, K. Min, and N. R. Aluru, Nano Lett. NALEFD 1530-6984 10.1021/nl901448z 9, 3012 (2009).
    • (2009) Nano Lett. , vol.9 , pp. 3012
    • Zhao, H.1    Min, K.2    Aluru, N.R.3
  • 25
    • 35748971728 scopus 로고    scopus 로고
    • Intrinsic ripples in graphene
    • DOI 10.1038/nmat2011, PII NMAT2011
    • A. Fasolino, J. H. Los, and M. I. Katsnelson, Nat. Mater. NMAACR 1476-1122 10.1038/nmat2011 6, 858 (2007). (Pubitemid 350050580)
    • (2007) Nature Materials , vol.6 , Issue.11 , pp. 858-861
    • Fasolino, A.1    Los, J.H.2    Katsnelson, M.I.3
  • 26
    • 31044454633 scopus 로고    scopus 로고
    • Equilibrium configuration and continuum elastic properties of finite sized graphene
    • DOI 10.1088/0957-4484/17/3/042, PII S0957448406040268
    • C. D. Reddy, S. Rajendran, and K. M. Liew, Nanotechnology NNOTER 0957-4484 10.1088/0957-4484/17/3/042 17, 864 (2006). (Pubitemid 43121703)
    • (2006) Nanotechnology , vol.17 , Issue.3 , pp. 864-870
    • Reddy, C.D.1    Rajendran, S.2    Liew, K.M.3
  • 29
    • 77957563328 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.085432
    • M. Neek-Amal and F. M. Peeters, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.085432 82, 085432 (2010).
    • (2010) Phys. Rev. B , vol.82 , pp. 085432
    • Neek-Amal, M.1    Peeters, F.M.2
  • 30
    • 78651345172 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.3534787
    • K. Min and N. R. Aluru, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3534787 98, 013113 (2011).
    • (2011) Appl. Phys. Lett. , vol.98 , pp. 013113
    • Min, K.1    Aluru, N.R.2
  • 31
    • 67650373496 scopus 로고    scopus 로고
    • NALEFD 1530-6984 10.1021/nl901231s
    • J. Hu, X. Ruan, and Y. P. Chen, Nano Lett. NALEFD 1530-6984 10.1021/nl901231s 9, 2730 (2009).
    • (2009) Nano Lett. , vol.9 , pp. 2730
    • Hu, J.1    Ruan, X.2    Chen, Y.P.3
  • 32
    • 70049087213 scopus 로고    scopus 로고
    • JPAPBE 0022-3727 10.1088/0022-3727/42/10/102002
    • Q. Lu, M. Arroyo, and R. Huang, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/42/10/102002 42, 102002 (2009).
    • (2009) J. Phys. D , vol.42 , pp. 102002
    • Lu, Q.1    Arroyo, M.2    Huang, R.3
  • 34
    • 33847027986 scopus 로고    scopus 로고
    • Simulations of carbon sputtering in amorphous hydrogenated samples
    • DOI 10.1088/0031-8949/2006/T124/013, PII S00318949061265213, Workshop on New Directions for Advanced Computer Simulations and Experiments in Fusion-Related Plasma-Surface Interactions for Fusion
    • J. Marian, L. A. Zepeda-Ruiz, G. H. Gilmer, E. M. Bringa, and T. Rognlien, Phys. Scr., PHSTER 0281-1847 10.1088/0031-8949/2006/T124/013 T124, 65 (2006). (Pubitemid 351552866)
    • (2006) Physica Scripta T , vol.T124 , pp. 65-69
    • Marian, J.1    Zepeda-Ruiz, L.A.2    Gilmer, G.H.3    Bringa, E.M.4    Rognlien, T.5
  • 36
    • 20744446921 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.66.155408
    • Y. Yamaguchi and J. Gspann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.155408 66, 155408 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 155408
    • Yamaguchi, Y.1    Gspann, J.2
  • 37
    • 0036966596 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.66.220102
    • S. V. Zybin, M. L. Elert, and C. T. White, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.220102 66, 220102 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 220102
    • Zybin, S.V.1    Elert, M.L.2    White, C.T.3
  • 39
    • 33644817086 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.42.9458
    • D. W. Brenner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.42.9458 42, 9458 (1990).
    • (1990) Phys. Rev. B , vol.42 , pp. 9458
    • Brenner, D.W.1
  • 42
    • 0035130951 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.63.035401
    • N. A. Marks, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.035401 63, 035401 (2000).
    • (2000) Phys. Rev. B , vol.63 , pp. 035401
    • Marks, N.A.1
  • 45
    • 0141482169 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.68.024107
    • J. H. Los and A. Fasolino, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.024107 68, 024107 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 024107
    • Los, J.H.1    Fasolino, A.2
  • 47
    • 84883433770 scopus 로고    scopus 로고
    • http://link.aps.org/supplemental/10.1103/PhysRevB.88.064101 for a comparison of AIREBO, ReaxFF, and SED-REBO potentials with DFT in a series of validation tests involving compression and expansion of diamond and graphene as well as the pull-down experiment described in Sec..
  • 48
    • 33846198726 scopus 로고    scopus 로고
    • Tensile mechanical behavior of hollow and filled carbon nanotubes under tension or combined tension-torsion
    • DOI 10.1063/1.2430490
    • B.-W. Jeong, J.-K. Lim, and S. B. Sinnott, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2430490 90, 023102 (2007). (Pubitemid 46105597)
    • (2007) Applied Physics Letters , vol.90 , Issue.2 , pp. 023102
    • Jeong, B.-W.1    Lim, J.-K.2    Sinnott, S.B.3
  • 55
    • 33749125733 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.46.2727
    • M. I. Baskes, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.2727 46, 2727 (1992).
    • (1992) Phys. Rev. B , vol.46 , pp. 2727
    • Baskes, M.I.1
  • 56
    • 0001508638 scopus 로고    scopus 로고
    • MSAPE3 0921-5093 10.1016/S0921-5093(98)01062-4
    • M. I. Baskes, Mater. Sci. Eng. A MSAPE3 0921-5093 10.1016/S0921-5093(98) 01062-4 261, 165 (1999).
    • (1999) Mater. Sci. Eng. A , vol.261 , pp. 165
    • Baskes, M.I.1
  • 57
    • 0031235393 scopus 로고    scopus 로고
    • MCHPDR 0254-0584 10.1016/S0254-0584(97)80252-0
    • M. I. Baskes, Mater. Chem. Phys. MCHPDR 0254-0584 10.1016/S0254-0584(97) 80252-0 50, 152 (1997).
    • (1997) Mater. Chem. Phys. , vol.50 , pp. 152
    • Baskes, M.I.1
  • 58
  • 59
  • 61
    • 0033243064 scopus 로고    scopus 로고
    • PSSBBD 0370-1972 10.1002/(SICI)1521-3951(199903)212:1<9::AID- PSSB9>3.0.CO;2-4
    • J. Cai, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/(SICI)1521- 3951(199903)212:1<9::AID-PSSB9>3.0.CO;2-4 212, 9 (1999).
    • (1999) Phys. Status Solidi B , vol.212 , pp. 9
    • Cai, J.1
  • 63
    • 84883433770 scopus 로고    scopus 로고
    • http://link.aps.org/supplemental/10.1103/PhysRevB.88.064101 for parameters of the SED-REBO and SED-REBO-S potentials.
  • 64
    • 47749150628 scopus 로고    scopus 로고
    • Measurement of the elastic properties and intrinsic strength of monolayer graphene
    • DOI 10.1126/science.1157996
    • C. Lee, X. Wei, J. W. Kysar, and J. Hone, Science SCIEAS 0036-8075 10.1126/science.1157996 321, 385 (2008). (Pubitemid 352029970)
    • (2008) Science , vol.321 , Issue.5887 , pp. 385-388
    • Lee, C.1    Wei, X.2    Kysar, J.W.3    Hone, J.4
  • 68
    • 0015361002 scopus 로고
    • JAPIAU 0021-8979 10.1063/1.1661636
    • H. J. McSkimin and J. P. Andreatch, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1661636 43, 2944 (1972).
    • (1972) J. Appl. Phys. , vol.43 , pp. 2944
    • McSkimin, H.J.1    Andreatch, J.P.2
  • 69
    • 84883314979 scopus 로고    scopus 로고
    • in edited by N. Taunura, A. Minor, C. Murray, and L. Friedman (MRS, Warrendale, PA
    • R. Perriot, X. Gu, and I. I. Oleynik, in Probing Mechanics at Nanoscale Dimensions, edited by, N. Taunura, A. Minor, C. Murray, and, L. Friedman, (MRS, Warrendale, PA, 2009), p. 1185:II05.04.
    • (2009) Probing Mechanics at Nanoscale Dimensions
    • Perriot, R.1    Gu, X.2    Oleynik, I.I.3
  • 72
    • 77953623510 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.3448027
    • J. M. Lang and Y. M. Gupta, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3448027 107, 113538 (2010).
    • (2010) J. Appl. Phys. , vol.107 , pp. 113538
    • Lang, J.M.1    Gupta, Y.M.2
  • 75
    • 0001463575 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.8487
    • D. G. Pettifor and I. I. Oleinik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.8487 59, 8487 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 8487
    • Pettifor, D.G.1    Oleinik, I.I.2
  • 76
    • 0000582073 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.8500
    • I. I. Oleinik and D. G. Pettifor, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.8500 59, 8500 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 8500
    • Oleinik, I.I.1    Pettifor, D.G.2
  • 77
    • 0000745375 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.84.4124
    • D. G. Pettifor and I. I. Oleinik, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.4124 84, 4124 (2000).
    • (2000) Phys. Rev. Lett. , vol.84 , pp. 4124
    • Pettifor, D.G.1    Oleinik, I.I.2
  • 78
    • 0036573684 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.65.172103
    • D. G. Pettifor and I. I. Oleinik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.172103 65, 172103 (2002).
    • (2002) Phys. Rev. B , vol.65 , pp. 172103
    • Pettifor, D.G.1    Oleinik, I.I.2
  • 79
    • 0942278720 scopus 로고    scopus 로고
    • PRMSAQ 0079-6425 10.1016/S0079-6425(03)00024-0
    • D. G. Pettifor and I. I. Oleynik, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/S0079-6425(03)00024-0 49, 285 (2004).
    • (2004) Prog. Mater. Sci. , vol.49 , pp. 285
    • Pettifor, D.G.1    Oleynik, I.I.2
  • 80
    • 0002467378 scopus 로고
    • JCTPAH 0021-9991 10.1006/jcph.1995.1039
    • S. J. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 10.1006/jcph.1995.1039 117, 1 (1995);
    • (1995) J. Comput. Phys. , vol.117 , pp. 1
    • Plimpton, S.J.1
  • 81
    • 84883431286 scopus 로고    scopus 로고
    • http://lammps.sandia.gov.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.