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Volumn 43, Issue 7, 2010, Pages 3156-3160

Quantitative analysis on the validity of a coarse-grained model for nonequilibrium polymeric liquids under flow

Author keywords

[No Author keywords available]

Indexed keywords

ASYMPTOTIC BEHAVIORS; ATOMISTIC MODELS; BOND-STRETCHING; COARSE GRAINED MODELS; COARSE-GRAINED; CONFORMATION TENSOR; FINITE CHAINS; FLOW STRENGTH; LOW STRAIN RATES; NON EQUILIBRIUM; POLYMERIC LIQUIDS; QUANTITATIVE ANALYSIS; SMALL VARIATIONS;

EID: 77951578683     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma100070p     Document Type: Article
Times cited : (38)

References (24)
  • 13
    • 77951561571 scopus 로고    scopus 로고
    • (b) Soft Matter 2009, 5, 3920.
    • (2009) Soft Matter , vol.5 , pp. 3920
  • 16
  • 18
    • 77951611530 scopus 로고    scopus 로고
    • note
    • In the coarse-grained MD simulations with CG models which are very close to the real chemistry, like the one used in this work, the real friction is usually not included because (a) the degree of coarsegraining is not too large and thus maintains a reasonable accuracy close to the atomistic model and (b) it is generally not feasible to estimate accurately the friction coefficient a priori due to the insufficient time-scale separation between the atomistic and CG descriptions. In contrast, for coarser CG models where there is a clear separation of time scales between the atomistic and CG descriptions, physical friction forces can be explicitly taken into account in the equations of motion, as there have been a few works; see, for example, ref 12.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.