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Updated: Jun 20, 2025
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Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
Published on: May 15, 2017
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Crystallization and the liquid-liquid critical point in nonbonded modified-WAC models
Erik Lascaris1, Francesca Marchese1, Nicole Gaspar1
1Department of Chemistry & Physical Sciences, Pace University, New York, New York 10038, USA.
The Journal of Chemical Physics
|July 22, 2024
Summary
Molecular dynamics simulations reveal that liquids with Liquid-Liquid Critical Points (LLCPs) form multiple crystalline phases. Models lacking LLCPs tend to form glasses, potentially hindering LLCP occurrence.
Area of Science:
- Physical Chemistry
- Materials Science
- Computational Physics
Background:
- Liquid-Liquid Critical Points (LLCPs) are known in one-component liquids, but the conditions for their formation are not fully understood.
- The relationship between LLCPs and the crystallization behavior of liquids requires further investigation.
Purpose of the Study:
- To investigate the interplay between LLCPs and crystalline phases in liquids.
- To identify key differences in crystallization behavior between models with and without LLCPs.
Main Methods:
- Utilized molecular dynamics simulations with modified-WAC (mWAC) models.
- Compared mWAC models exhibiting LLCPs with those that do not.
Main Results:
- Models with LLCPs exhibited multiple stable crystalline phases, including a superionic ice-like solid-state ionic conductor.
- Models without LLCPs showed a greater tendency to form glasses over a wider temperature range.
- Glass formation in some models may prevent the occurrence of LLCPs.
Conclusions:
- The presence of an LLCP correlates with the formation of multiple crystalline phases.
- Glass formation can potentially inhibit LLCP occurrence.
- Further research is needed to ascertain the general applicability of these findings.
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