Monte Carlo Simulations of Polymeric Materials
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Simulation and Design".
Deadline for manuscript submissions: closed (1 December 2020) | Viewed by 7256
Special Issue Editor
Interests: static and kinetic monte carlo simulations; physical properties of various model host-guest systems; monte carlo simulations of chosen non-linear optical effects in polymeric and liquid crystalline materials
Special Issue Information
Dear Colleagues,
Polymers are macromolecules in which many monomeric repeat units are connected to form long chains. Therefore, properties of polymer systems are related to phenomena on length and time scales ranging over many orders of magnitude. This separation of scales entails difficulties. These properties may be studied using Monte Carlo (MC) approaches. Various MC models disregard detailed information on chemical structure nevertheless collective phenomena, which exhibit universal behavior of chains, can be described. This approach combines methodological simplicity with powerful prediction possibilities. Results obtained using MC simulations reproduce a large variety of static and dynamic effects in polymer systems. These simulations significantly enhance our understanding of the theoretical concepts on the properties of macromolecular systems.
The applications of polymeric materials and their composites are still increasing. MC modeling offers insights into the effects related to materials and devices based on polymers. For this reason a MC method can be successfully applied to a wide spectrum of problems in modern material sciences. This Special Issue aims to highlight recent achievements in the development of MC simulation methods and models and their applications to various polymer systems and devices. It is my pleasure to invite you to submit your results in the form of either full papers, communications, or reviews.
Potential areas and applications include, but are not limited to, the following:
- Lattice and continuum MC models of polymers;
- MC modeling of polymer-based devices;
- MC modeling of DNA-based materials and other biopolymers;
- Stochastic MC modeling of polymer systems;
Dr. Grzegorz Pawlik
Guest Editor
Manuscript Submission Information
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Keywords
- Computer modeling
- Monte Carlo simulations
- Modeling of polymers
- Modeling of soft matter
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