First-order transition of a nanoscale heteropolymer chain with Lennard-Jones potential

Abraham F. Jalbout, Aned De Leon

Research output: Contribution to journalArticlepeer-review

Abstract

The thermodynamic properties of a 30 mer nanoscale heteropolymer chain were calculated with a Lennard-Jones (LJ) potential. A first order liquid to solid phase transition was observed as the final result of our calculations, with a minimum energy state at around -335 (reduced units) and a maximum energy state at around -194 (reduced units).

Original languageEnglish
Pages (from-to)231-232
Number of pages2
JournalJournal of Computational and Theoretical Nanoscience
Volume6
Issue number1
DOIs
StatePublished - Jan 2009
Externally publishedYes

Keywords

  • Heteropolymer
  • Lennard-Jones
  • Liquid
  • Monte carlo simulations
  • Phase transition

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