• DOI:10.1103/PhysRevE.96.032144
• Corpus ID: 27403818

Cluster sizes in a classical Lennard-Jones chain.

@article{LeeDadswell2017ClusterSI,
  title={Cluster sizes in a classical Lennard-Jones chain.},
  author={G R Lee-Dadswell and Nicholas Barrett and Michael Power},
  journal={Physical review. E},
  year={2017},
  volume={96 3-1},
  pages={
          032144
        }
}

• G. Lee-Dadswell, N. Barrett, Michael Power
• Published 1 July 2017
• Mathematics, Physics, Medicine
• Physical review. E

The definitions of breaks and clusters in a one-dimensional chain in equilibrium are discussed. Analytical expressions are obtained for the expected cluster length, 〈K〉, as a function of temperature and pressure in a one-dimensional Lennard-Jones chain. These expressions are compared with results from molecular dynamics simulations. It is found that 〈K〉 increases exponentially with β=1/k_{B}T and with pressure, P in agreement with previous results in the literature. A method is illustrated for using 〈K〉(β,P) to generate a "phase diagram" for the Lennard-Jones chain. Some implications for the study of heat transport in Lennard-Jones chains are discussed.