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Volumn 41, Issue 4, 2008, Pages 1537-1551

Monte Carlo scheme for generation and relaxation of dense and nearly jammed random structures of freely jointed hard-sphere chains

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL EFFICIENCY; MONTE CARLO METHODS; TORSIONAL STRESS;

EID: 40549135366     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma702264u     Document Type: Article
Times cited : (48)

References (87)
  • 63
    • 40549110396 scopus 로고    scopus 로고
    • av = 1) corresponding to the same packing density for successive simulations of monoatomic hard-sphere analogs.
    • av = 1) corresponding to the same packing density for successive simulations of monoatomic hard-sphere analogs.
  • 73
    • 40549105565 scopus 로고    scopus 로고
    • Nielaba, P, Mareschal, M, Ciccotti, G, Eds, Springer-Verlag: Berlin
    • Theodorou, D. N. In Molecular Simulations for the Next Decade; Nielaba, P., Mareschal, M., Ciccotti, G., Eds.; Springer-Verlag: Berlin, 2002.
    • (2002) Molecular Simulations for the Next Decade
    • Theodorou, D.N.1
  • 76
    • 40549145691 scopus 로고    scopus 로고
    • dis = 1 as there is no biased selection involved in the move. A more accurate description would be regrowth of end-segments, but in order to be consistent with previous CCB-based modeling studies we have maintained the CCB title to even denote the bare execution.
    • dis = 1 as there is no biased selection involved in the move. A more accurate description would be "regrowth of end-segments", but in order to be consistent with previous CCB-based modeling studies we have maintained the "CCB" title to even denote the bare execution.
  • 81
    • 40549118358 scopus 로고    scopus 로고
    • One could claim that for very dilute athermal systems direct application of MC schemes based solely on the CCB algorithm is adequate even for long chains
    • One could claim that for very dilute athermal systems direct application of MC schemes based solely on the CCB algorithm is adequate even for long chains.
  • 82
    • 40549146041 scopus 로고    scopus 로고
    • av = 1000) is greatly benefited by the application of the adaptive-bias, CCAM scheme built around the sIEB algorithm.
    • av = 1000) is greatly benefited by the application of the adaptive-bias, CCAM scheme built around the sIEB algorithm.
  • 83
    • 40549086762 scopus 로고    scopus 로고
    • The argument is valid for the whole density range simulated in the course of the present work
    • The argument is valid for the whole density range simulated in the course of the present work.
  • 85
    • 40549090050 scopus 로고    scopus 로고
    • av = 1000) suggest that the scaling exponents are in excellent agreement with the Gaussian coil predictions.
    • av = 1000) suggest that the scaling exponents are in excellent agreement with the Gaussian coil predictions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.