Journal
SCIENTIFIC REPORTS
Volume 2, Issue -, Pages -Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/srep00390
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Funding
- PSC-CUNY
- Professional Staff Congress
- Austrian Science Fund FWF (START) [Y391]
- European Research Council (ERC)
- NSF [CNS-0959856]
- City University of New York
- Direct For Computer & Info Scie & Enginr
- Division Of Computer and Network Systems [0959856] Funding Source: National Science Foundation
- Austrian Science Fund (FWF) [Y 391] Funding Source: researchfish
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Water has multiple glassy states, often called amorphous ices. Low-density (LDA) and high-density (HDA) amorphous ice are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation connects to a first-order liquid-liquid phase transition (LLPT) above the glass transition temperature T-g. Direct experimental evidence of the LLPT is challenging to obtain, since the LLPT occurs at conditions where water rapidly crystallizes. In this work, we explore the implications of a LLPT on the pressure dependence of T-g(P) for LDA and HDA by performing computer simulations of two water models - one with a LLPT, and one without. In the absence of a LLPT, T-g(P) for all glasses nearly coincide. When there is a LLPT, different glasses exhibit dramatically different T-g(P) which are directly linked with the LLPT. Available experimental data for T-g(P) are only consistent with the scenario including a LLPT.
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