Stress in Self-Consistent-Field Theory

Christopher A. Tyler, David C. Morse

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

Abstract

A perturbation theory was developed to determine the state of mechanical stress in a nonequilibrium unit cell. The theory was used to calculate derivatives of the free energy in self-consistent-field theory (SCFT) of block copolymer crystals with respect to the changes in the parameters of the unit cell. It was found that the calculated stress vanished which helped in finding the unit cell that minimized the free energy in a time comparable to that required to solve the SCFT equations for a fixed unit cell.

Original languageEnglish (US)
Pages (from-to)8184-8188
Number of pages5
JournalMacromolecules
Volume36
Issue number21
DOIs
StatePublished - Oct 21 2003

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