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pro vyhledávání: '"Gartner III, Thomas E."'
The isothermal compressibility (i.e., the asymptotic number variance) of equilibrium liquid water as a function of temperature is minimal near ambient conditions. This anomalous non-monotonic temperature dependence is due to a balance between thermal
Externí odkaz:
http://arxiv.org/abs/2405.02271
Publikováno v:
J. Chem. Phys. 159, 054502 (2023)
The possible existence of a liquid-liquid critical point in deeply supercooled water has been a subject of debate in part due to the challenges associated with providing definitive experimental evidence. Pioneering work by Mishima and Stanley [Nature
Externí odkaz:
http://arxiv.org/abs/2302.08540
Autor:
Gartner III, Thomas E., Piaggi, Pablo M., Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.
A longstanding question in water research is the possibility that supercooled liquid water can undergo a liquid-liquid phase transition (LLT) into high- and low-density liquids. We used several complementary molecular simulation techniques to evaluat
Externí odkaz:
http://arxiv.org/abs/2208.13633
Publikováno v:
Nat Commun 12, 3398 (2021)
Much attention has been devoted to water's metastable phase behavior, including polyamorphism (multiple amorphous solid phases), and the hypothesized liquid-liquid transition and associated critical point. However, the possible relationship between t
Externí odkaz:
http://arxiv.org/abs/2106.03944
Autor:
Muniz, Maria Carolina, Gartner III, Thomas E., Riera, Marc, Knight, Christopher, Yue, Shuwen, Paesani, Francesco, Panagiotopoulos, Athanassios Z.
Among the many existing molecular models of water, the MB-pol many-body potential has emerged as a remarkably accurate model, capable of reproducing thermodynamic, structural, and dynamic properties across water's solid, liquid, and vapor phases. In
Externí odkaz:
http://arxiv.org/abs/2103.06978
Publikováno v:
Journal of Chemical Physics; 3/14/2024, Vol. 160 Issue 10, p1-7, 7p
Autor:
Gartner III, Thomas E., Hunter, Kelly M., Lambros, Eleftherios, Caruso, Alessandro, Riera, Marc, Medders, Gregory R., Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G., Paesani, Francesco
Publikováno v:
Journal of Physical Chemistry Letters; 4/28/2022, Vol. 13 Issue 16, p3652-3658, 7p
Autor:
Gartner III, Thomas E., Linfeng Zhang, Piaggi, Pablo M., Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America; 10/20/2020, Vol. 117 Issue 42, p26040-26046, 7p
Publikováno v:
Molecular Systems Design & Engineering; May2020, Vol. 5 Issue 4, p864-875, 12p
Autor:
Kuang, Huihui, Gartner III, Thomas E., Dorneles de Mello, Matheus, Guo, Jun, Zuo, Xiaobing, Tsapatsis, Michael, Jayaraman, Arthi, Kokkoli, Efrosini
Publikováno v:
Nanoscale; 11/14/2019, Vol. 11 Issue 42, p19850-19861, 12p