메뉴 건너뛰기




Volumn 133, Issue 16, 2010, Pages

A topology preserving method for generating equilibrated polymer melts in computer simulations

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSIVE DEFORMATIONS; CYCLIC POLYMER; LENGTH SCALE; LINEAR POLYMERS; POLYMER ARCHITECTURE; RANDOM WALK; REPTATION TIME; SIMULATION BOXES; SIMULATION TIME; TOPOLOGICAL STATE; TOPOLOGY PRESERVING;

EID: 78149381241     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3493329     Document Type: Article
Times cited : (24)

References (40)
  • 1
    • 0343417367 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.458541
    • K. Kremer and G. S. Grest, J. Chem. Phys. JCPSA6 0021-9606 92, 5057 (1990). 10.1063/1.458541
    • (1990) J. Chem. Phys. , vol.92 , pp. 5057
    • Kremer, K.1    Grest, G.S.2
  • 3
    • 33749656661 scopus 로고    scopus 로고
    • Direct calculation of the tube potential confining entangled polymers
    • DOI 10.1021/ma060670a
    • Q. Zhou and R. G. Larson, Macromolecules MAMOBX 0024-9297 39, 6737 (2006). 10.1021/ma060670a (Pubitemid 44555119)
    • (2006) Macromolecules , vol.39 , Issue.19 , pp. 6737-6743
    • Zhou, Q.1    Larson, R.G.2
  • 4
    • 73649085815 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.3276800
    • R. Hoy and M. Robbins, J. Chem. Phys. JCPSA6 0021-9606 131, 244901 (2009). 10.1063/1.3276800
    • (2009) J. Chem. Phys. , vol.131 , pp. 244901
    • Hoy, R.1    Robbins, M.2
  • 5
    • 76549101709 scopus 로고    scopus 로고
    • MTHSEK 1022-1344, 10.1002/mats.201090001
    • T. Vettorel and K. Kremer, Macromol. Theory Simul. MTHSEK 1022-1344 19, 44 (2010). 10.1002/mats.201090001
    • (2010) Macromol. Theory Simul. , vol.19 , pp. 44
    • Vettorel, T.1    Kremer, K.2
  • 6
    • 75349101094 scopus 로고    scopus 로고
    • PLEEE8 1063-651X, 10.1103/PhysRevE.81.011804
    • D. MacNeill and J. Rottler, Phys. Rev. E PLEEE8 1063-651X 81, 011804 (2010). 10.1103/PhysRevE.81.011804
    • (2010) Phys. Rev. e , vol.81 , pp. 011804
    • MacNeill, D.1    Rottler, J.2
  • 7
    • 0038298711 scopus 로고    scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.1557473
    • I. Dukovski and M. Muthukumar, J. Chem. Phys. JCPSA6 0021-9606 118, 6648 (2003). 10.1063/1.1557473
    • (2003) J. Chem. Phys. , vol.118 , pp. 6648
    • Dukovski, I.1    Muthukumar, M.2
  • 9
    • 0035827170 scopus 로고    scopus 로고
    • A novel geometric embedding algorithm for efficiently generating dense polymer structures
    • DOI 10.1063/1.1371480
    • M. Müller, J. Nievergelt, S. Santos, and U. W. Suter, J. Chem. Phys. JCPSA6 0021-9606 114, 9764 (2001). 10.1063/1.1371480 (Pubitemid 32585977)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.22 , pp. 9764-9771
    • Muller, M.1    Nievergelt, J.2    Santos, S.3    Suter, U.W.4
  • 11
    • 68349150613 scopus 로고    scopus 로고
    • PBHIAT 1478-3975, 10.1088/1478-3975/6/2/025013
    • T. Vettorel, A. Y. Grosberg, and K. Kremer, Phys. Biol. PBHIAT 1478-3975 6, 025013 (2009). 10.1088/1478-3975/6/2/025013
    • (2009) Phys. Biol. , vol.6 , pp. 025013
    • Vettorel, T.1    Grosberg, A.Y.2    Kremer, K.3
  • 16
    • 0024071054 scopus 로고
    • MAMOBX 0024-9297, 10.1021/ma00187a030
    • I. Carmesin and K. Kremer, Macromolecules MAMOBX 0024-9297 21, 2819 (1988). 10.1021/ma00187a030
    • (1988) Macromolecules , vol.21 , pp. 2819
    • Carmesin, I.1    Kremer, K.2
  • 17
    • 5844327649 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.467470
    • J. S. Shaffer, J. Chem. Phys. JCPSA6 0021-9606 101, 4205 (1994). 10.1063/1.467470
    • (1994) J. Chem. Phys. , vol.101 , pp. 4205
    • Shaffer, J.S.1
  • 19
    • 13244256805 scopus 로고    scopus 로고
    • Structure and volumetric properties of linear and triarm star polyethylenes from atomistic Monte Carlo simulation using new internal rearrangement moves
    • DOI 10.1021/ma048364p
    • L. D. Peristeras, I. G. Economou, and D. N. Theodorou, Macromolecules MAMOBX 0024-9297 38, 386 (2005). 10.1021/ma048364p (Pubitemid 40184313)
    • (2005) Macromolecules , vol.38 , Issue.2 , pp. 386-397
    • Peristeras, L.D.1    Economou, I.G.2    Theodorou, D.N.3
  • 20
    • 0038075663 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.469455
    • J. Gao, J. Chem. Phys. JCPSA6 0021-9606 102, 1074 (1995). 10.1063/1.469455
    • (1995) J. Chem. Phys. , vol.102 , pp. 1074
    • Gao, J.1
  • 26
    • 33846242504 scopus 로고    scopus 로고
    • Formation of entanglements in initially disentangled polymer melts
    • DOI 10.1021/ma062284z
    • D. R. Lippits, S. Rastogi, S. Talebi, and C. Bailly, Macromolecules MAMOBX 0024-9297 39, 8882 (2006). 10.1021/ma062284z (Pubitemid 46101950)
    • (2006) Macromolecules , vol.39 , Issue.26 , pp. 8882-8885
    • Lippits, D.R.1    Rastogi, S.2    Talebi, S.3    Bailly, C.4
  • 28
    • 54849407788 scopus 로고    scopus 로고
    • MAMOBX 0024-9297, 10.1021/ma801232j
    • G. Subramanian and S. Shanbhag, Macromolecules MAMOBX 0024-9297 41, 7239 (2008). 10.1021/ma801232j
    • (2008) Macromolecules , vol.41 , pp. 7239
    • Subramanian, G.1    Shanbhag, S.2
  • 29
    • 70349974721 scopus 로고    scopus 로고
    • PLEEE8 1063-651X, 10.1103/PhysRevE.80.031803
    • R. S. Hoy, K. Foteinopoulou, and M. Kröger, Phys. Rev. E PLEEE8 1063-651X 80, 031803 (2009). 10.1103/PhysRevE.80.031803
    • (2009) Phys. Rev. e , vol.80 , pp. 031803
    • Hoy, R.S.1    Foteinopoulou, K.2    Kröger, M.3
  • 30
    • 38349107614 scopus 로고    scopus 로고
    • PLEEE8 1063-651X, 10.1103/PhysRevE.77.011801
    • G. Subramanian and S. Shanbhag, Phys. Rev. E PLEEE8 1063-651X 77, 011801 (2008). 10.1103/PhysRevE.77.011801
    • (2008) Phys. Rev. e , vol.77 , pp. 011801
    • Subramanian, G.1    Shanbhag, S.2
  • 31
    • 0002467378 scopus 로고
    • JCTPAH 0021-9991, 10.1006/jcph.1995.1039
    • S. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 117, 1 (1995). 10.1006/jcph.1995.1039
    • (1995) J. Comput. Phys. , vol.117 , pp. 1
    • Plimpton, S.1
  • 32
    • 33646941247 scopus 로고
    • JCPSA6 0021-9606, 10.1063/1.1747157
    • B. H. Zimm and W. H. Stockmayer, J. Chem. Phys. JCPSA6 0021-9606 17, 1301 (1949). 10.1063/1.1747157
    • (1949) J. Chem. Phys. , vol.17 , pp. 1301
    • Zimm, B.H.1    Stockmayer, W.H.2
  • 34
    • 0022909525 scopus 로고
    • JOPQAG 0302-0738, 10.1051/jphys:0198600470120212100
    • M. E. Cates and J. M. Deutsch, J. Phys. (Paris) JOPQAG 0302-0738 47, 2121 (1986). 10.1051/jphys:0198600470120212100
    • (1986) J. Phys. (Paris) , vol.47 , pp. 2121
    • Cates, M.E.1    Deutsch, J.M.2
  • 35
    • 34548038150 scopus 로고    scopus 로고
    • What is the size of a ring polymer in a ring-linear blend?
    • DOI 10.1021/ma0709295
    • B. V. S. Iyer, A. K. Lele, and S. Shanbhag, Macromolecules MAMOBX 0024-9297 40, 5995 (2007). 10.1021/ma0709295 (Pubitemid 47280877)
    • (2007) Macromolecules , vol.40 , Issue.16 , pp. 5995-6000
    • Iyer, B.V.S.1    Lele, A.K.2    Shanbhag, S.3
  • 36
    • 70449090240 scopus 로고    scopus 로고
    • PLEEE8 1063-651X, 10.1103/PhysRevE.80.041806
    • G. Subramanian and S. Shanbhag, Phys. Rev. E PLEEE8 1063-651X 80, 041806 (2009). 10.1103/PhysRevE.80.041806
    • (2009) Phys. Rev. e , vol.80 , pp. 041806
    • Subramanian, G.1    Shanbhag, S.2
  • 37
    • 22744454822 scopus 로고    scopus 로고
    • Primitive path identification and statistics in molecular dynamics simulations of entangled polymer melts
    • DOI 10.1021/ma050347s
    • Q. Zhou and R. G. Larson, Macromolecules MAMOBX 0024-9297 38, 5761 (2005). 10.1021/ma050347s (Pubitemid 41028153)
    • (2005) Macromolecules , vol.38 , Issue.13 , pp. 5761-5765
    • Zhou, Q.1    Larson, R.G.2
  • 40
    • 19944406574 scopus 로고
    • MAMOBX 0024-9297, 10.1021/ma60052a011
    • P. -G. deGennes, Macromolecules MAMOBX 0024-9297 9, 587 (1976). 10.1021/ma60052a011
    • (1976) Macromolecules , vol.9 , pp. 587
    • Degennes, P.-G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.