# Glass-forming ability of Lennard-Jones trimers

**Authors:** Ulf R. Pedersen

arXiv: 1907.01792 · 2019-07-04

## TL;DR

This study investigates how the geometry of Lennard-Jones trimers influences their ability to form glasses, identifying an optimal angle around 83 degrees for glass formation.

## Contribution

It provides the first systematic analysis of trimer angle effects on melting temperatures and glass-forming ability in Lennard-Jones systems.

## Key findings

- Maximum glass-forming ability at 83-degree angle.
- Liquid dynamics slow down with increasing angle.
- Different crystal structures favor specific angles.

## 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.

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Source: https://tomesphere.com/paper/1907.01792