• Corpus ID: 195791632

Glass-forming ability of Lennard-Jones trimers

@article{Pedersen2019GlassformingAO,
  title={Glass-forming ability of Lennard-Jones trimers},
  author={Ulf R. Pedersen},
  journal={arXiv: Materials Science},
  year={2019}
}

• Ulf R. Pedersen
• Published 3 July 2019
• Chemistry
• arXiv: Materials Science

Melting temperatures at ambient pressure of systems of isosceles Lennard-Jones trimers with angles ranging from 70 degrees to 100 degrees are determined. Two crystal structures are considered: a distorted body centered cubic structure and a distorted face centered cubic structure with preferred angles of 77 and 96 degrees, respectively. Liquid dynamics are slowed down when the angle is increased. A trimer angle of 83 degrees yields the largest distance between isochrones and the melting temperature, suggesting that this value gives the optimal glass-forming ability. It is conjectured that better glass-formers may be found at angles larger than the ones considered in this study.