Derivation of coarse-grained potential for polyethylene

Computer Physics Communications

Volumn 142, Issue 1-3, 2001, Pages 224-226

  Fukunaga, Hiroo ^a   Aoyagi, Takeshi ^a   Takimoto, Jun Ichi ^b   Doi, Masao ^a  

^a NAGOYA UNIVERSITY   (Japan)

^b YAMAGATA UNIVERSITY   (Japan)

Author keywords

Coarse grained potential; Molecular dynamics simulation; Polyethylene

Indexed keywords

ATOMIC PHYSICS; CHEMICAL BONDS; ENTHALPY; ENTROPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; THERMAL EFFECTS;

ATOMISTIC MOLECULAR MODEL; COARSE-GRAINED POTENTIALS;

POLYETHYLENES;

EID: 0035892850     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(01)00311-3     Document Type: Conference Paper

References (3)