Journal
SOFT MATTER
Volume 8, Issue 44, Pages 11310-11317Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2sm26536b
Keywords
-
Categories
Funding
- National Science Foundation (NSF) [DMR-0907338]
- Deutsche Forschungsgemeinschaft (DFG) [GL 733/1-1]
- DFG [SFB 602]
- National Science Foundation [OCI-0910735]
- Minnesota Supercomputing Institute
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [0907338] Funding Source: National Science Foundation
- Office of Advanced Cyberinfrastructure (OAC)
- Direct For Computer & Info Scie & Enginr [0910735] Funding Source: National Science Foundation
Ask authors/readers for more resources
Coarse-grained theories of dense polymer liquids such as block copolymer melts predict a universal dependence of equilibrium properties on a few dimensionless parameters. For symmetric diblock copolymer melts, such theories predict a universal dependence on only chi N and (N) over bar, where chi is an effective interaction parameter, N is the degree of polymerization, and (N) over bar is a measure of overlap. We test whether simulation results for the structure factor S(q) obtained from several different simulation models are consistent with this two-parameter scaling hypothesis. We compare results from three models: (1) a lattice Monte Carlo model, the bond-fluctuation model, (2) a bead-spring model with harsh repulsive interactions, similar to that of Kremer and Grest, and (3) a bead-spring model with very soft repulsion between beads, and strongly overlapping beads. We compare results from pairs of simulations of different models that have been designed to have matched values of (N) over bar, over a range of values of chi N and N, and devise methods to test the scaling hypothesis without relying on any prediction for how the phenomenological interaction parameter chi depends on more microscopic parameters. The results strongly support the scaling hypothesis, even for rather short chains, confirming that it is indeed possible to give an accurate universal description of simulation models that differ in many details.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available