A Potential Energy Landscape Study of the Amorphous-Amorphous Transformation in H${}_2$O

Abstract

We study the potential energy landscape explored during a compression-decompression cycle for the SPC/E (extended simple point charge) model of water. During the cycle, the system changes from low density amorphous ice (LDA) to high density amorphous ice (HDA). After the cycle, the system does not return to the same region of the landscape, supporting the interesting possibility that more than one significantly different configuration corresponds to LDA. We find that the regions of the landscape explored during this transition have properties remarkably different from those explored in thermal equilibrium in the liquid phase.

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Cited by in corpus (14)

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• Phase Diagram of Amorphous Solid Water: Low-Density, High-Density, and Very-High-Density Amorphous Ices
• Structural Order in Glassy Water
• Link between the diversity, heterogeneity and kinetic properties of amorphous ice structures
• Potential Energy Landscape of TIP4P/2005 water
• Potential Energy Landscape of the Apparent First-Order Phase Transition between Low-Density and High-Density Amorphous Ice
• Glass Polymorphism in TIP4P/2005 Water: A Description Based on the Potential Energy Landscape Formalism
• Influence of sample preparation on the transformation of low-density to high-density amorphous ice: An explanation based on the Potential Energy Landscape
• Properties of ideal Gaussian glass-forming systems
• Ice polyamorphism in the minimal Mercedes-Benz model of water