메뉴 건너뛰기




Volumn 85, Issue 2, 2012, Pages

Reduced-order molecular-dynamics model for polystyrene by equivalent-structure coarse graining

Author keywords

[No Author keywords available]

Indexed keywords

BONDED INTERACTIONS; COARSE GRAINED MODELS; COARSE GRAINING; COARSE-GRAINED; CURRENT MODELS; ELLIPSOIDAL PARTICLES; ENERGY EQUIVALENCE; EQUIVALENT MODEL; EXPLICIT REPRESENTATION; FINE-SCALE SIMULATION; HIGHER FREQUENCIES; HOMOGENIZATION PROCESS; INTERACTION POTENTIALS; LOCAL STRUCTURE; MODELING SYSTEMS; MOLECULAR-DYNAMICS MODEL; NONBONDED INTERACTION; RADIAL DISTRIBUTION FUNCTIONS; REDUCED ORDER; REDUCED ORDER MODELS; RIGID BODY; SPHERICAL PARTICLE; STRUCTURAL ELEMENTS; STRUCTURE AND DYNAMICS; TIME-SCALES;

EID: 84857522795     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.85.026702     Document Type: Article
Times cited : (5)

References (24)
  • 1
    • 0036591017 scopus 로고    scopus 로고
    • Using adhesion to probe viscoelasticity of polymer film surfaces: A quartz crystal microbalance study
    • DOI 10.1140/epje/i2000-10102-5
    • J. A. Forrest, Eur. Phys. J. E EPJSFH 1292-8941 10.1140/epje/i2000-10102- 5 8, 261 (2002). (Pubitemid 36185019)
    • (2002) European Physical Journal E , vol.8 , Issue.2 , pp. 129-136
    • Forrest, J.A.1    Mattsson, J.2    Borjesson, L.3
  • 4
    • 33746378829 scopus 로고    scopus 로고
    • ACPODY 0323-7648 10.1002/(SICI)1521-4044(19 9802)49:2/3<61::AID-APOL6 1>3.0.CO;2-V
    • W. Tschöp, K. Kremer, J. Batoulis, T. Bürger, and O. Hahn, Acta Polym. ACPODY 0323-7648 10.1002/(SICI)1521-4044(199802)49:2/3<61::AID- APOL61>3.0.CO;2-V 49, 61 (1998).
    • (1998) Acta Polym. , vol.49 , pp. 61
    • Tschöp, W.1    Kremer, K.2    Batoulis, J.3    Bürger, T.4    Hahn, O.5
  • 5
    • 33746378829 scopus 로고    scopus 로고
    • ACPODY 0323-7648 10.1002/(SICI)1521-4044(19 9802)49:2/3<75::AID-APOL7 5>3.0.CO;2-5
    • W. Tschöp, K. Kremer, O. Hahn, J. Batoulis, and T. Bürger, Acta Polym. ACPODY 0323-7648 10.1002/(SICI)1521-4044(199802)49:2/3<75::AID- APOL75>3.0.CO;2-5 49, 75 (1998).
    • (1998) Acta Polym. , vol.49 , pp. 75
    • Tschöp, W.1    Kremer, K.2    Hahn, O.3    Batoulis, J.4    Bürger, T.5
  • 7
    • 2342556445 scopus 로고    scopus 로고
    • Automatic coarse graining of polymers
    • DOI 10.1016/j.polymer.2003.11.053, PII S0032386104002812
    • R. Faller, Polymer POLMAG 0032-3861 10.1016/j.polymer.2003.11.053 45, 3869 (2004). (Pubitemid 38595166)
    • (2004) Polymer , vol.45 , Issue.11 , pp. 3869-3876
    • Faller, R.1
  • 8
    • 33749672504 scopus 로고    scopus 로고
    • Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations
    • DOI 10.1021/ma0606399
    • V. A. Harmandaris, N. P. Adhikari, N. F. A. van der Vegt, and K. Kremer, Macromolecules MAMOBX 0024-9297 10.1021/ma0606399 39, 6708 (2006). (Pubitemid 44555117)
    • (2006) Macromolecules , vol.39 , Issue.19 , pp. 6708-6719
    • Harmandaris, V.A.1    Adhikari, N.P.2    Van Der Vegt, N.F.A.3    Kremer, K.4
  • 10
    • 27844448643 scopus 로고    scopus 로고
    • Systematic coarse-graining of atomistic models for simulation of polymeric systems
    • DOI 10.1016/j.compchemeng.2005.05.026, PII S0098135405001638
    • Q. Sun and R. Faller, Comput. Chem. Eng. CCENDW 0098-1354 10.1016/j.compchemeng.2005.05.026 29, 2380 (2005). (Pubitemid 41660485)
    • (2005) Computers and Chemical Engineering , vol.29 , Issue.11-12 SPEC. ISS. , pp. 2380-2385
    • Sun, Q.1    Faller, R.2
  • 12
  • 14
    • 0002467378 scopus 로고
    • JCTPAH 0021-9991 10.1006/jcph.1995.1039
    • S. 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.1
  • 19
    • 6744234112 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.441483
    • J. G. Gay and B. J. Berne, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.441483 74, 3316 (1981).
    • (1981) J. Chem. Phys. , vol.74 , pp. 3316
    • Gay, J.G.1    Berne, B.J.2
  • 20
    • 4243811842 scopus 로고    scopus 로고
    • PLEEE8 1539-3755 10.1103/PhysRevE.67.041710
    • R. Everaers and M. R. Ejtehadi, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.67.041710 67, 041710 (2003).
    • (2003) Phys. Rev. e , vol.67 , pp. 041710
    • Everaers, R.1    Ejtehadi, M.R.2
  • 21
    • 36849101977 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1677837
    • B. J. Berne and P. Pechukas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1677837 56, 4213 (1972).
    • (1972) J. Chem. Phys. , vol.56 , pp. 4213
    • Berne, B.J.1    Pechukas, P.2
  • 22
    • 34547554572 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2179075
    • R. E. M. Babadi and M. R. Ejtehadi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2179075 124, 174708 (2006).
    • (2006) J. Chem. Phys. , vol.124 , pp. 174708
    • Babadi, R.E.M.1    Ejtehadi, M.R.2
  • 23
    • 0010461312 scopus 로고
    • CPMSB6 0303-402X 10.1007/BF01433225
    • B. V. Deryaguin, Kolloid Z. CPMSB6 0303-402X 10.1007/BF01433225 69, 155 (1934).
    • (1934) Kolloid Z. , vol.69 , pp. 155
    • Deryaguin, B.V.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.