Mesoscale modelling of polymer welding

• Published in: Materials science & engineering. A, Structural materials : properties, microstructure and processing Vol. 365; no. 1; pp. 14 - 24
• Main Authors: Anderson, K.L., Wescott, J.T., Carver, T.J., Windle, A.H.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 25.01.2004; Elsevier
• Subjects: Applied sciences; Bonding and welding; Exact sciences and technology; Machinery and processing; Mesoscale modelling; Monté Carlo; Plastics; Polymer; Polymer industry, paints, wood; Simulation; Technology of polymers; Welding; Mesoscale modelling; Polymer; Welding; Simulation; Monté Carlo; Monte Carlo method; Month Carlo; Theoretical study; Modeling; Mesoscale; Lattice model; Numerical simulation; Mesoscale modelling: Polymer; Kinetics; Diffusion; Molecular mass; Interface; Concentration distribution
• ISSN: 0921-5093; 1873-4936
• DOI: 10.1016/j.msea.2003.09.002

A cubic F lattice model of dense polymer systems, implementing a kinetic Metropolis Monté Carlo diffusion algorithm, is used to elucidate the development of intrinsic welding in polymer systems. The validation and parameterisation of this model has been described in a previous publication [Comput. Theor. Polym. Sci. 11 (1) (2001) 17–28.], showing its ability to reproduce bulk relaxation theory while possessing the computational advantage of being able to simulate complex polymer behaviour on ‘realistic’ time and size scales. Here we review the use of this model for simulating the interdiffusion of long amorphous polymer chains subject to simple thermal protocols as well as extensions of the model for simulating more complex welding effects.