Theoretical analyses of pressure induced glass transition in water: Signatures of surprising diffusion-entropy scaling across the transition

References

• J.S. Tse and M.L. Klein, Phys. Rev. Lett. 58 (16), 1672 (1987). doi:https://doi.org/10.1103/PhysRevLett.58.1672
   PubMed Web of Science ®Google Scholar
• J.S. Tse and M.L. Klein, J. Chem. Phys. 92 (6), 3992–3994 (1990). doi:https://doi.org/10.1063/1.457812
   Web of Science ®Google Scholar
• J.S. Tse and M.L. Klein. J. Phys. Chem. B. 92 (2), 315–318 (1988). doi:https://doi.org/10.1021/j100313a015
   Web of Science ®Google Scholar
• J. Finney, D. Bowron, A. Soper, T. Loerting, E. Mayer and A. Hallbrucker, Phys. Rev. Lett. 89 (20), 205503 (2002). doi:https://doi.org/10.1103/PhysRevLett.89.205503
   PubMed Web of Science ®Google Scholar
• P.H. Handle, T. Loerting and F. Sciortino, Proc. Natl. Acad. Sci. U. S. A. 114 (51), 13336–13344 (2017). doi:https://doi.org/10.1073/pnas.1700103114
   PubMed Web of Science ®Google Scholar
• J.L. Finney, A. Hallbrucker, I. Kohl, A.K. Soper and D.T. Bowron, Phys. Rev. Lett. 88 (22), 225503 (2002). doi:https://doi.org/10.1103/PhysRevLett.88.225503
   PubMed Web of Science ®Google Scholar
• D.T. Limmer and D. Chandler, Proc. Natl. Acad. Sci. U. S. A. 111 (26), 9413–9418 (2014). doi:https://doi.org/10.1073/pnas.1407277111
   PubMed Web of Science ®Google Scholar
• O. Mishima, L. Calvert and E. Whalley, Nature. 310 (5976), 393–395 (1984). doi:https://doi.org/10.1038/310393a0
   Web of Science ®Google Scholar
• P.H. Poole, F. Sciortino, U. Essmann and H.E. Stanley, Nature. 360 (6402), 324–328 (1992). doi:https://doi.org/10.1038/360324a0
   Web of Science ®Google Scholar
• O. Mishima, L. Calvert and E. Whalley, Nature. 314 (6006), 76–78 (1985). doi:https://doi.org/10.1038/314076a0
   Web of Science ®Google Scholar
• D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, Oxford, 1969).
   Google Scholar
• B. Bagchi, Water in Biological and Chemical Processes: From Structure and Dynamics to Function (Cambridge University Press, New York, 2013).
   Google Scholar
• A. Goncharov, V. Struzhkin, M. Somayazulu, R. Hemley and H. Mao, Science. 273 (5272), 218–220 (1996). doi:https://doi.org/10.1126/science.273.5272.218
   PubMed Web of Science ®Google Scholar
• S. Sastry, P.G. Debenedetti, F. Sciortino and H.E. Stanley, Phys. Rev. E. 53 (6), 6144 (1996). doi:https://doi.org/10.1103/PhysRevE.53.6144
   Web of Science ®Google Scholar
• A. Scala, F.W. Starr, E. La Nave, H. Stanley and F. Sciortino, Phys. Rev. E. 62 (6), 8016 (2000). doi:https://doi.org/10.1103/PhysRevE.62.8016
   Web of Science ®Google Scholar
• J.R. Errington and P.G. Debenedetti, Nature. 409 (6818), 318–321 (2001). doi:https://doi.org/10.1038/35053024
   PubMed Web of Science ®Google Scholar
• C.A. Tulk, J.J. Molaison, A.R. Makhluf, C.E. Manning and D.D. Klug, Nature. 569 (7757), 542–545 (2019). doi:https://doi.org/10.1038/s41586-019-1204-5
   PubMed Web of Science ®Google Scholar
• C.G. Salzmann, J. Chem. Phys. 150 (6), 060901 (2019). doi:https://doi.org/10.1063/1.5085163
   PubMed Web of Science ®Google Scholar
• V.F. Petrenko and R.W. Whitworth, Physics of ice (Oxford University Press, New York, 1999).
   Google Scholar
• C.G. Salzmann, P.G. Radaelli, B. Slater and J. Finney, Phys. Chem. Chem. Phys. 13 (41), 18468–18480 (2011). doi:https://doi.org/10.1039/c1cp21712g
   PubMed Web of Science ®Google Scholar
• T. Loerting, V. Fuentes-Landete, C.M. Tonauer and T.M. Gasser, Commun. Chem. 3 (1), 1–4 (2020). doi:https://doi.org/10.1038/s42004-020-00349-2
   PubMed Web of Science ®Google Scholar
• T. Yagasaki, M. Matsumoto and H. Tanaka, J. Phys. Chem. B. 122 (31), 7718–7725 (2018). doi:https://doi.org/10.1021/acs.jpcb.8b04441
   PubMed Web of Science ®Google Scholar
• E.B. Moore and V. Molinero, Nature. 479 (7374), 506–508 (2011). doi:https://doi.org/10.1038/nature10586
   PubMed Web of Science ®Google Scholar
• J.C. Palmer, P.H. Poole, F. Sciortino and P.G. Debenedetti, Chem. Rev. 118 (18), 9129–9151 (2018). doi:https://doi.org/10.1021/acs.chemrev.8b00228
   PubMed Web of Science ®Google Scholar
• P.G. Debenedetti, F. Sciortino and G.H. Zerze, Science. 369 (6501), 289–292 (2020). doi:https://doi.org/10.1126/science.abb9796
   PubMed Web of Science ®Google Scholar
• K.H. Kim, K. Amann-Winkel, N. Giovambattista, A. Späh, F. Perakis, H. Pathak, M.L. Parada, C. Yang, D. Mariedahl and T. Eklund, Science. 370 (6519), 978–982 (2020). doi:https://doi.org/10.1126/science.abb9385
   PubMed Web of Science ®Google Scholar
• J. Chiu, F.W. Starr and N. Giovambattista, J. Chem. Phys. 139 (18), 184504 (2013). doi:https://doi.org/10.1063/1.4829276
   PubMed Web of Science ®Google Scholar
• J. Engstler and N. Giovambattista, J. Chem. Phys. 147 (7), 074505 (2017). doi:https://doi.org/10.1063/1.4998747
   PubMed Web of Science ®Google Scholar
• M. Santra, R.S. Singh and B. Bagchi, J. Phys. Chem. B. 117 (42), 13154–13163 (2013). doi:https://doi.org/10.1021/jp4031199
   PubMed Web of Science ®Google Scholar
• P. Banerjee and B. Bagchi, J. Chem. Phys. 149 (21), 214704 (2018). doi:https://doi.org/10.1063/1.5054151
   PubMed Web of Science ®Google Scholar
• M. Matsumoto, S. Saito and I. Ohmine, Nature. 416 (6879), 409–413 (2002). doi:https://doi.org/10.1038/416409a
   PubMed Web of Science ®Google Scholar
• K. Mochizuki, M. Matsumoto and I. Ohmine, Nature. 498 (7454), 350–354 (2013). doi:https://doi.org/10.1038/nature12190
   PubMed Web of Science ®Google Scholar
• E. Małolepsza and T. Keyes, J. Chem. Theo. Comput. 11 (12), 5613–5623 (2015). doi:https://doi.org/10.1021/acs.jctc.5b00637
   PubMed Web of Science ®Google Scholar
• S. Han, M. Choi, P. Kumar and H.E. Stanley, Nat. Phys. 6 (9), 685–689 (2010). doi:https://doi.org/10.1038/nphys1708
   Web of Science ®Google Scholar
• E.B. Moore, E. de la Llave, K. Welke, D.A. Scherlis and V. Molinero, Phys. Chem. Chem. Phys. 12 (16), 4124–4134 (2010). doi:https://doi.org/10.1039/b919724a
   PubMed Web of Science ®Google Scholar
• D.T. Limmer and D. Chandler, J. Chem. Phys. 137 (4), 044509 (2012). doi:https://doi.org/10.1063/1.4737907
   PubMed Web of Science ®Google Scholar
• I.M. Svishchev and P.G. Kusalik, Phys. Rev. Lett. 73 (7), 975–978 (1994). doi:https://doi.org/10.1103/PhysRevLett.73.975
   PubMed Web of Science ®Google Scholar
• F. Leoni, R. Shi, H. Tanaka and J. Russo, J. Chem. Phys. 151 (4), 044505 (2019). doi:https://doi.org/10.1063/1.5100812
   PubMed Web of Science ®Google Scholar
• S.C. Gay, E. Smith and A.D. Haymet, J. Chem. Phys. 116 (20), 8876–8880 (2002). doi:https://doi.org/10.1063/1.1471556
   Web of Science ®Google Scholar
• X. Wei, S. Xiao and J. Ni, Mol. Simu. 36 (11), 823–830 (2010). doi:https://doi.org/10.1080/08927021003774287
   Web of Science ®Google Scholar
• M. Hirata, T. Yagasaki, M. Matsumoto and H. Tanaka, Langmuir. 33 (42), 11561–11569 (2017). doi:https://doi.org/10.1021/acs.langmuir.7b01764
   PubMed Web of Science ®Google Scholar
• K. Mochizuki, K. Himoto and M. Matsumoto, Phys. Chem. Chem. Phys. 16 (31), 16419–16425 (2014). doi:https://doi.org/10.1039/C4CP01616E
   PubMed Web of Science ®Google Scholar
• J. S. Tse. , Nature 569, 495–496 (2019).
   PubMed Web of Science ®Google Scholar
• L. Tisza, Generalized Thermodynamics (MIT Press, Cambridge, 1966).
   Google Scholar
• T.V. Ramakrishnan and M. Yussouff, Phys. Rev. B. 19 (5), 2775 (1979). doi:https://doi.org/10.1103/PhysRevB.19.2775
   Web of Science ®Google Scholar
• S. Acharya and B. Bagchi, J. Chem. Phys. 153 (18), 184701 (2020). doi:https://doi.org/10.1063/5.0022818
   PubMed Web of Science ®Google Scholar
• S. Mukherjee and B. Bagchi, J. Phys. Chem. C. 124 (13), 7334–7340 (2020). doi:https://doi.org/10.1021/acs.jpcc.0c02030
   Web of Science ®Google Scholar
• S. Banerjee, R. Biswas, K. Seki and B. Bagchi, J. Chem. Phys. 141 (12), 124105 (2014). doi:https://doi.org/10.1063/1.4895905
   PubMed Web of Science ®Google Scholar
• Y. Rosenfeld, Phys. Rev. A. 15 (6), 2545–2549 (1977). doi:https://doi.org/10.1103/PhysRevA.15.2545
   Web of Science ®Google Scholar
• K. Seki and B. Bagchi, J. Chem. Phys. 143 (19), 194110 (2015). doi:https://doi.org/10.1063/1.4935969
   PubMed Web of Science ®Google Scholar
• G. Adam and J.H. Gibbs, J. Chem. Phys. 43 (1), 139–146 (1965). doi:https://doi.org/10.1063/1.1696442
   Web of Science ®Google Scholar
• B. Bagchi, Statistical Mechanics for Chemistry and Materials Science (CRC Press, Boca Raton, Florida, 2018).
   Google Scholar
• S.-T. Lin, M. Blanco and W.A. Goddard III, J. Chem. Phys. 119 (22), 11792–11805 (2003). doi:https://doi.org/10.1063/1.1624057
   Web of Science ®Google Scholar
• S.-T. Lin, P.K. Maiti and W.A. Goddard III, J. Phys. Chem. B. 114 (24), 8191–8198 (2010). doi:https://doi.org/10.1021/jp103120q
   PubMed Web of Science ®Google Scholar
• T.A. Pascal, S.-T. Lin and W.A. Goddard III, Phys. Chem. Chem. Phys. 13 (1), 169–181 (2011). doi:https://doi.org/10.1039/C0CP01549K
   PubMed Web of Science ®Google Scholar
• M.A. Caro, T. Laurila and O. Lopez-Acevedo, J. Chem. Phys. 145 (24), 244504 (2016). doi:https://doi.org/10.1063/1.4973001
   PubMed Web of Science ®Google Scholar
• W. Ostwald, J Zeitschrift für physikalische Chemie. 22, 289–330 (1897).
   Google Scholar
• R. Van Santen, J. Phys. Chem. 88 (24), 5768–5769 (1984). doi:https://doi.org/10.1021/j150668a002
   Web of Science ®Google Scholar
• J.Q. Broughton, G.H. Gilmer and K.A. Jackson, Phys. Rev. Lett. 49 (20), 1496–1500 (1982). doi:https://doi.org/10.1103/PhysRevLett.49.1496
   Web of Science ®Google Scholar
• S. Nosé and F. Yonezawa, J. Chem. Phys. 84 (3), 1803–1814 (1986). doi:https://doi.org/10.1063/1.450427
   Web of Science ®Google Scholar
• T.R. Kirkpatrick, D. Thirumalai and P.G. Wolynes, Phys. Rev. A. 40 (2), 1045 (1989). doi:https://doi.org/10.1103/PhysRevA.40.1045
   Web of Science ®Google Scholar
• V. Lubchenko and P.G. Wolynes, Annu. Rev. Phys. Chem. 58, 235–266 (2007). doi:https://doi.org/10.1146/annurev.physchem.58.032806.104653
   PubMed Web of Science ®Google Scholar
• J. Villain, J. Phys. 46 (11), 1843–1852 (1985). doi:https://doi.org/10.1051/jphys:0198500460110184300
   Web of Science ®Google Scholar
• M. Matsumoto, T. Yagasaki and H. Tanaka, J. Comput. Chem. 39 (1), 61–64 (2018). doi:https://doi.org/10.1002/jcc.25077
   PubMed Web of Science ®Google Scholar
• J. Abascal, E. Sanz, R. García Fernández and C. Vega, J. Chem. Phys. 122 (23), 234511 (2005). doi:https://doi.org/10.1063/1.1931662
   PubMed Web of Science ®Google Scholar
• M.J. Abraham, T. Murtola, R. Schulz, S. Páll, J.C. Smith, B. Hess and E. Lindahl, SoftwareX. 1, 19–25 (2015). doi:https://doi.org/10.1016/j.softx.2015.06.001
   Google Scholar
• W.H. Press, S.A. Teukolsky, W.T. Vetterling and B.P. Flannery, Numerical Recipes 3rd Edition: The Art of Scientific Computing (Cambridge University Press, New York, 2007).
   Google Scholar
• S. Nosé, J. Chem. Phys. 81 (1), 511–519 (1984). doi:https://doi.org/10.1063/1.447334
   Web of Science ®Google Scholar
• W.G. Hoover, Phys. Rev. A. 31 (3), 1695 (1985). doi:https://doi.org/10.1103/PhysRevA.31.1695
   PubMed Web of Science ®Google Scholar
• M. Parrinello and A. Rahman, J. Appl. Phys. 52 (12), 7182–7190 (1981). doi:https://doi.org/10.1063/1.328693
   Web of Science ®Google Scholar
• M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 2017).
   Google Scholar
• D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, San Diego, 2001).
   Google Scholar
• T. Darden, D. York and L. Pedersen, J. Chem. Phys. 98 (12), 10089–10092 (1993). doi:https://doi.org/10.1063/1.464397
   Web of Science ®Google Scholar