References
- Flory , P. J. 1969 . Statistical Mechanics of Chain Molecules , New York : Wiley .
- Flory , P. J. 1976 . “Statistical thermodynamics of random networks,” . Proc. Roy. Soc. Lond. A , 351 : 351
- Treloar , L. R. G. 1975 . The Physics of Rubber Elasticity, , 3rd ed. , Oxford University Press .
- Dossin , L. M. and Graessley , W. W. 1979 . “Rubber elasticity of well-characterized Polybutadiene networks,” . Macromolecules , 12 : 123
- Brown , D. and Clarke , J. H. R. 1986 . “Molecular dynamics computer simulation of polymer fibre microstructure,” . J. Chem. Phys. , 84 : 2858 (Note that the values of the potential parameters kx and ϵ' published in this reference were incorrect. The actual values used were 36.784 and 0.1089kJmol−1, respectively.)
- Weber , T. A. and Helfand , E. 1979 . “Molecular dynamics simulation of polymers. I Structure,” . J. Chem. Phys. , 71 : 4760
- Steele , D. 1985 . “An ab initio investigation of the torsional potential function on n-butane,” . J. Chem. Soc. Farad. Trans. II , 81 : 1077
- Richardson , M. J. , Flory , P. J. and Jackson , J. B. 1964 . “The crystallization and melting of copolymers of polymethylene,” . Polymer , 4 : 221
- Ryckaert , J.-P. and Bellemans , A. 1978 . “Molecular dynamics of liquid alkanes,” . Farad. Disc. Chem. Soc. , 66 : 95
- Weber , T. A. 1978 . “Simulation of n-butane using a skeletal alkane model,” . J. Chem. Phys. , 69 : 2347
- Ryckaert , J.-P and Bellemans , A. 1975 . “Molecular dynamics of liquid n-butane near its boiling point,” . Chem. Phys. Letts. , 30 : 123
- Holliday , L. and White , J. W. 1971 . “The stiffness of polymers in relation to their structure,” . Pure Appl. Chem. , 25 : 545
- Treloar , L. R. G. 1960 . “Calculations of elastic moduli of polymer crystals: I. Polyethylene and Nylon 66,” . Polymer , 1 : 95
- Berendsen , H. J. C. , Postma , J. P. M. , van Gunsteren , W. F. , Di Nola , A. and Haak , J. R. 1984 . “Molecular dynamics with coupling to an external bath,” . J. Chem. Phys. , 81 : 3684
- Andersen , H. C. 1980 . “Molecular dynamics simulations at constant pressure and/or temperature,” . J. Chem. Phys. , 72 : 2384
- Parinello , M. and Rahman , A. 1980 . “Crystal structure and pair potentials: A molecular dynamics study,” . Phys. Rev. Letts. , 45 : 1196
- Ryckaert , J.-P. and Ciccotti , G. 1983 . “Introduction of Andersen's demon in the molecular dynamics of systems with constraints,” . J. Chem. Phys. , 78 : 7368
- Brown , D. and Clarke , J. H. R. 1984 . “A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids,” . Mol. Phys. , 51 : 1243
- Flory , P. J. 1985 . “Molecular theory of rubber elasticity,” . Polymer Journal , 17 : 1
- Bueche , F. 1962 . Physical Properties of Polymers , New York : Wiley . ch. 1
- Jernigan , R. L. and Flory , P. J. 1969 . “Distribution functions for chain molecules,” . J. Chem. Phys. , 50 : 4185
- Brown , D. 1987 . “Vectorising your MD program for the Cyber 205 the Brode and Ahlrichs way,” . In Information Quarterly for Computer Simulation of Condensed Phases Vol. 24 , 39 This is an informal publication available on request from SERC Daresbury Laboratory, Warrington WA4 4AD, UK The CCP5 Newsletter
- Brode , S. and Ahlrichs , R. 1986 . “An optimized MD program for the vector computer Cyber 205,” . Comp. Phys. Comm. , 42 : 51
- Rossignol , J. , Seguela , R. and Rietsch , F. 1988 . “Mechanical behaviour of linear low density polyethylene fibres,” . Polymer , 29 : 43
- Ward , I. M. 1983 . Mechanical Properties of Solid Polymers, , 2nd. Ed. , Wiley . ch. 11
- Popli , R. and Mandelkern , L. 1987 . “Influence of structural and morphological factors on the mechanical properties of the polyethylenes,” . J. Poly. Sci.: Part B: Poly. Phys. , 25 : 441
- Parrish , M. and Brown , N. 1971 . “Yield phenomenon in oriented Polyethylene Terephthalate,” . In Plastic Deformation of Polymers , Edited by: Peterlin , A. 189 – 209 . New York : Marcel Dekker .
- Tabor , D. 1970 . Gases, liquids and solids , Glasgow : Penguin . chs. 8 & 9
- Brown , D. and Clarke , J. H. R. 1986 . “Constant-stress nonequilibrium molecular dynamics: Shearing of the soft-sphere crystal and fluid,” . Phys. Rev. A , 34 : 2093
- Glenz , W. and Peterlin , A. 1971 . “Infrared studies of drawn Polyethylene. Part I. Changes in orientation and conformation of highly drawn linear Polyethylene,” . In Plastic Deformation of Polymers , Edited by: Peterlin , A. 13 – 29 . New York : Marcel Dekker .