Multiscale Problems in Polymer Science: Simulation Approaches
- 1 March 2001
- journal article
- Published by Springer Nature in MRS Bulletin
- Vol. 26 (3) , 205-210
- https://doi.org/10.1557/mrs2001.43
Abstract
Polymer materials range from industrial commodities, such as plastic bags, to high-tech polymers used for optical applications, and all the way to biological systems, where the most prominent example is DNA. They can be crystalline, amorphous (glasses, melts, gels, rubber), or in solution. Polymers in the glassy state are standard materials for many applications (yogurt cups, compact discs, housings for technical equipment, etc.).Keywords
This publication has 26 references indexed in Scilit:
- Local Reorientation Dynamics of Semiflexible Polymers in the MeltMacromolecules, 2000
- A new mechanism for penetrant diffusion in amorphous polymers: Molecular dynamics simulations of phenol diffusion in bisphenol-A-polycarbonateThe Journal of Chemical Physics, 1999
- The MesoDyn project: software for mesoscale chemical engineeringJournal of Molecular Structure: THEOCHEM, 1999
- Alternative off-lattice model with continuous backbone mass for polymersPhysical Review E, 1999
- Self-consistent-field theories for complex fluidsJournal of Physics: Condensed Matter, 1998
- Reverse Mapping of Coarse-Grained Polyethylene Chains from the Second Nearest Neighbor Diamond Lattice to an Atomistic Model in Continuous SpaceMacromolecules, 1997
- Orthorhombic phase of crystalline polyethylene: A Monte Carlo studyThe Journal of Chemical Physics, 1997
- Modeling polyethylene with the bond fluctuation modelThe Journal of Chemical Physics, 1997
- A Mapping of Realistic onto Abstract Polymer Models and an Application to Two Bisphenol PolycarbonatesMacromolecules, 1994
- YASP: A molecular simulation packageComputer Physics Communications, 1993