메뉴 건너뛰기




Volumn 137, Issue 16, 2012, Pages

Mixing atoms and coarse-grained beads in modelling polymer melts

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN INVERSION; COARSE-GRAINED; COARSE-GRAINED POTENTIAL; GLOBAL STRUCTURE; MIXED MODELS; MIXED POTENTIAL; SIMPLE HYBRID MODEL; SINGLE MOLECULE;

EID: 84868350493     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4759504     Document Type: Article
Times cited : (26)

References (43)
  • 1
    • 0037120092 scopus 로고    scopus 로고
    • 10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-U
    • F. Müller-Plathe, ChemPhysChem 3 (9), 754-769 (2002). 10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-U
    • (2002) ChemPhysChem , vol.3 , Issue.9 , pp. 754-769
    • Müller-Plathe, F.1
  • 2
    • 0032003667 scopus 로고    scopus 로고
    • 10.1002/(SICI)1521-4044(199802)49:2/3<61::AID-APOL61>3.0.CO;2-V
    • W. Tschop, K. Kremer, J. Batoulis, T. Burger, and O. Hahn, Acta Polym. 49 (2-3), 61-74 (1998). 10.1002/(SICI)1521-4044(199802)49:2/3<61::AID- APOL61>3.0.CO;2-V
    • (1998) Acta Polym. , vol.49 , Issue.23 , pp. 61-74
    • Tschop, W.1    Kremer, K.2    Batoulis, J.3    Burger, T.4    Hahn, O.5
  • 8
    • 52949145633 scopus 로고    scopus 로고
    • 10.2174/156802608785849030
    • D. K. Smith, Curr. Top. Med. Chem. 8 (14), 1187-1203 (2008). 10.2174/156802608785849030
    • (2008) Curr. Top. Med. Chem. , vol.8 , Issue.14 , pp. 1187-1203
    • Smith, D.K.1
  • 12
    • 33748266722 scopus 로고    scopus 로고
    • 10.1021/jp062700h
    • Q. Shi, S. Izvekov, and G. A. Voth, J. Phys. Chem. B 110 (31), 15045-15048 (2006). 10.1021/jp062700h
    • (2006) J. Phys. Chem. B , vol.110 , Issue.31 , pp. 15045-15048
    • Shi, Q.1    Izvekov, S.2    Voth, G.A.3
  • 19
  • 20
  • 28
    • 60049083996 scopus 로고    scopus 로고
    • 10.1140/epje/i2008-10413-5
    • H. Wang, C. Junghans, and K. Kremer, Eur. Phys. J. E 28 (2), 221-229 (2009). 10.1140/epje/i2008-10413-5
    • (2009) Eur. Phys. J. e , vol.28 , Issue.2 , pp. 221-229
    • Wang, H.1    Junghans, C.2    Kremer, K.3
  • 37
    • 84868340720 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-137-007241 for the comparison between the pair distributions obtained from the atomistic and coarse-grained models for polyethylene; the energy profiles for the hybrid models; the comparison between the radial distributions functions obtained for the coarse-grained and the hybrid models.
    • See supplementary material at http://dx.doi.org/10.1063/1.4759504 E-JCPSA6-137-007241 for the comparison between the pair distributions obtained from the atomistic and coarse-grained models for polyethylene; the energy profiles for the hybrid models; the comparison between the radial distributions functions obtained for the coarse-grained and the hybrid models.
  • 40
    • 31544472856 scopus 로고    scopus 로고
    • 10.1021/ma0514774
    • Q. Sun and R. Faller, Macromolecules 39 (2), 812-820 (2006). 10.1021/ma0514774
    • (2006) Macromolecules , vol.39 , Issue.2 , pp. 812-820
    • Sun, Q.1    Faller, R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.