Journal
EPL
Volume 97, Issue 5, Pages -Publisher
EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY
DOI: 10.1209/0295-5075/97/56005
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Funding
- IPSHMEC [11YZ20]
- NNSFC [10832006, 10825520, 11105088]
- KIP of CAS
- Shanghai Supercomputer Center of China
- Dr. Bernard W. Gamson Computational Science Center at Yeshiva College
- NSF Chemistry Division [CHE 0911389, CHE 0908218]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0908218, 0911389] Funding Source: National Science Foundation
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Using a primitive water model, we find that the strength of tetrahedral interactions can change the behavior of liquid water from the liquid-liquid critical point scenario to the singularity-free scenario. Specifically, we find that the strongly tetrahedral model has a liquid-liquid critical point from which the Widom line emanates with a negative slope, but that the weakly tetrahedral model lacks the second critical point and the line of the specific heat maxima analogous to the Widom line has a positive slope. The strongly tetrahedral interaction is characterized by a double-step potential that depends on hydrogen-bond bending, while the weakly tetrahedral interaction has a uniform single-step potential. Copyright (C) EPLA, 2012
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