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Glass-forming ability of Lennard-Jones trimers

Materials Science 2019-07-04 v1 Soft Condensed Matter

Abstract

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.

Keywords

Cite

@article{arxiv.1907.01792,
  title  = {Glass-forming ability of Lennard-Jones trimers},
  author = {Ulf R. Pedersen},
  journal= {arXiv preprint arXiv:1907.01792},
  year   = {2019}
}

Comments

5 pages, 6 figures