Water at negative pressure: nuclear quantum effects

References

• A. Mujica, A. Rubio, A. Munoz and R. Needs, Rev. Mod. Phys. 75, 863–912 (2003). doi:10.1103/RevModPhys.75.863.
   Web of Science ®Google Scholar
• H.K. Mao, X.J. Chen, Y. Ding, B. Li and L. Wang, Rev. Mod. Phys. 90, 015007 (2018). doi:10.1103/RevModPhys.90.015007.
   Web of Science ®Google Scholar
• K. Davitt, E. Rolley, F. Caupin, A. Arvengas and S. Balibar, J. Chem. Phys. 133, 174507 (2010). doi:10.1063/1.3495971.
   PubMedGoogle Scholar
• M. Iyer, V. Gavini and T.M. Pollock, Phys. Rev. B 89, 014108 (2014). doi:10.1103/PhysRevB.89.014108.
   Web of Science ®Google Scholar
• J. Nie, S. Porowski and P. Keblinski, J. Appl. Phys. 126, 035110 (2019). doi:10.1063/1.5097626.
   Google Scholar
• A.R. Imre, A. Drozd-Rzoska, T. Kraska, S.J. Rzoska and K.W. Wojciechowski, J. Phys.: Condens. Matter 20, 244104 (2008).
   Google Scholar
• D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, New York, 1969).
   Google Scholar
• V.F. Petrenko and R.W. Whitworth, Physics of Ice (Oxford University Press, New York, 1999).
   Google Scholar
• E. Sanz, C. Vega, J.L.F. Abascal and L.G. MacDowell, Phys. Rev. Lett. 92, 255701 (2004). doi:10.1103/PhysRevLett.92.255701.
   PubMed Web of Science ®Google Scholar
• C.G. Salzmanna, J. Chem. Phys. 150, 060901 (2019). doi:10.1063/1.5085163.
   PubMedGoogle Scholar
• L. Zhang, H. Wang, R. Car and E. Weinan, Phys. Rev. Lett. 126, 236001 (2021). doi:10.1103/PhysRevLett.126.236001.
   PubMedGoogle Scholar
• A.N. Dunaeva, D.V. Antsyshkin and O.L. Kuskov, Solar Syst. Res. 44, 202–222 (2010). doi:10.1134/S0038094610030044.
   Web of Science ®Google Scholar
• M.A. Solis and J. Navarro, Phys. Rev. B 45, 13080–13083 (1992). doi:10.1103/PhysRevB.45.13080.
   Web of Science ®Google Scholar
• J. Boronat, J. Casulleras and J. Navarro, Phys. Rev. B 50, 3427 (1994). doi:10.1103/PhysRevB.50.3427.
   Google Scholar
• P. Jedlovszky and R. Vallauri, Phys. Rev. E 67, 011201 (2003). doi:10.1103/PhysRevE.67.011201.
   Google Scholar
• A.R. Imre, Phys. Status Solidi B 244, 893–899 (2007). doi:10.1002/pssb.v244:3.
   Google Scholar
• A.R. Imre, A. Drozd-Rzoska, A. Horvath, T. Kraska and S.J. Rzoska, J. Non-Cryst. Solids 354, 4157–4162 (2008). doi:10.1016/j.jnoncrysol.2008.06.033.
   Web of Science ®Google Scholar
• S.J. Henderson and R.J. Speedy, J. Phys. Chem. 91, 3069–3072 (1987). doi:10.1021/j100295a085.
   Web of Science ®Google Scholar
• D.E. Grade, J. Mech. Phys. Solids 36, 353 (1988). doi:10.1016/0022-5096(88)90015-4.
   Web of Science ®Google Scholar
• E. Moshe, S. Eliezer, Z. Henis, M. Werdiger, E. Dekel, Y. Horovitz, S. Maman, I.B. Goldberg and D. Eliezer, Appl. Phys. Lett 76, 1555–1557 (2000). doi:10.1063/1.126094.
   Web of Science ®Google Scholar
• D.J. Dunstan, N.W.A. Van Uden and G.J. Ackland, High Press. Res. 22, 773–778 (2002). doi:10.1080/08957950212441.
   Web of Science ®Google Scholar
• W.M.H. Verbeeten, M. Sanchez-Soto and M.L. Maspoch, J. Appl. Polymer Sci. 139, e52295 (2022). doi:10.1002/app.v139.23.
   Google Scholar
• P.H. Poole, F. Sciortino, U. Essmann and H.E. Stanley, Nature 360, 324–328 (1992). doi:10.1038/360324a0.
   Web of Science ®Google Scholar
• J.L.F. Abascal and C. Vega, J. Chem. Phys. 134, 186101 (2011). doi:10.1063/1.3585676.
   PubMed Web of Science ®Google Scholar
• V. Bianco, P.M. de Hijes, C.P. Lamas, E. Sanz and C. Vega, Phys. Rev. Lett. 126, 015704 (2021). doi:10.1103/PhysRevLett.126.015704.
   PubMedGoogle Scholar
• P. Gallo, M. Minozzi and M. Rovere, Phys. Rev. E 75, 011201 (2007). doi:10.1103/PhysRevE.75.011201.
   Google Scholar
• A.R. Imre, A. Baranyai, U.K. Deiters, P.T. Kiss, T. Kraska and S.E. Quiones Cisneros, Int. J. Thermophys. 34, 2053–2064 (2013). doi:10.1007/s10765-013-1518-8.
   Web of Science ®Google Scholar
• P.A. Netz, F.W. Starr, H.E. Stanley and M.C. Barbosa, J. Chem. Phys. 115, 344–348 (2001). doi:10.1063/1.1376424.
   Web of Science ®Google Scholar
• G. Pallares, M.A. Gonzalez, J.L.F. Abascal, C. Valeriani and F. Caupin, Phys. Chem. Chem. Phys. 18, 5896–5900 (2016). doi:10.1039/C5CP07580G.
   PubMed Web of Science ®Google Scholar
• M. Sega, B. Fabian, A.R. Imre and P. Jedlovszky, J. Phys. Chem. C 121, 12214–12219 (2017). doi:10.1021/acs.jpcc.7b02573.
   Web of Science ®Google Scholar
• A. Singraber, T. Morawietz, J. Behler and C. Dellago, J. Phys.: Condens. Matter 30, 254005 (2018).
   PubMedGoogle Scholar
• H.E. Stanley, M.C. Barbosa, S. Mossa, P.A. Netz, F. Sciortino, F.W. Starr and M. Yamada, Physica. A. 315, 281–289 (2002). doi:10.1016/S0378-4371(02)01536-4.
   Web of Science ®Google Scholar
• M.E.M. Azouzi, C. Ramboz, J.F. Lenain and F. Caupin, Nature Phys. 9, 38–41 (2013). doi:10.1038/nphys2475.
   Web of Science ®Google Scholar
• G. Pallares, M.E.M. Azouzi, M.A. Gonzalez, J.L. Aragones, J.L.F. Abascal, C. Valeriani and F. Caupin, PNAS USA 111, 7936–7941 (2014). doi:10.1073/pnas.1323366111.
   PubMed Web of Science ®Google Scholar
• A.D. Alvarenga, M. Grimsditch and R.J. Bodnar, J. Chem. Phys. 98, 8392–8396 (1993). doi:10.1063/1.464497.
   Web of Science ®Google Scholar
• C. Qiu, Y. Krueger, M. Wilke, D. Marti, J. Ricka and M. Frenz, Phys. Chem. Chem. Phys. 18, 28227–28241 (2016). doi:10.1039/C6CP04250C.
   PubMed Web of Science ®Google Scholar
• C.A. Stan, P.R. Willmott, H.A. Stone, J.E. Koglin, M. Liang, A.L. Aquila, J.S. Robinson, K.L. Gumerlock, G. Blaj, R.G. Sierra, S. Boutet, S.A.H. Guillet, R.H. Curtis, S.L. Vetter, H. Loos, J.L. Turner and F.J. Decker, J. Phys. Chem. Lett. 7, 2055–2062 (2016). doi:10.1021/acs.jpclett.6b00687.
   PubMed Web of Science ®Google Scholar
• V. Holten, C. Qiu, E. Guillerm, M. Wilke, J. Ricka, M. Frenz and F. Caupin, J. Phys. Chem. Lett. 8, 5519–5522 (2017). doi:10.1021/acs.jpclett.7b02563.
   PubMed Web of Science ®Google Scholar
• Y.E. Altabet, R.S. Singh, F.H. Stillinger and P.G. Debenedetti, Langmuir 33, 11771–11778 (2017). doi:10.1021/acs.langmuir.7b02339.
   PubMed Web of Science ®Google Scholar
• F. Caupin, A. Arvengas, K. Davitt, M.E.M. Azouzi, K.I. Shmulovich, C. Ramboz, D.A. Sessoms and A.D. Stroock, J. Phys.: Condens. Matter 24, 284110 (2012).
   PubMedGoogle Scholar
• J.W. Biddle, R.S. Singh, E.M. Sparano, F. Ricci, M.A. Gonzalez, C. Valeriani, J.L.F. Abascal, P.G. Debenedetti, M.A. Anisimov and F. Caupin, J. Chem. Phys. 146, 034502 (2017). doi:10.1063/1.4973546.
   PubMed Web of Science ®Google Scholar
• F. Caupin and M.A. Anisimov, J. Chem. Phys. 151, 034503 (2019). doi:10.1063/1.5100228.
   PubMedGoogle Scholar
• A. Zaragoza, C.S.P. Tripathi, M.A. Gonzalez, J.L.F. Abascal, F. Caupin and C. Valeriani, J. Chem. Phys. 152, 194501 (2020). doi:10.1063/5.0002745.
   PubMedGoogle Scholar
• M.A. Gonzalez, G. Menzl, J.L. Aragones, P. Geiger, F. Caupin, J.L.F. Abascal, C. Dellago and C. Valeriani, J. Chem. Phys. 141, 18C511 (2014). doi:10.1063/1.4896216.
   PubMedGoogle Scholar
• G. Menzl, M.A. Gonzalez, P. Geiger, F. Caupin, J.L.F. Abascal, C. Valeriani and C. Dellago, PNAS USA 113, 13582–13587 (2016). doi:10.1073/pnas.1608421113.
   PubMed Web of Science ®Google Scholar
• F. Magaletti, M. Gallo and C.M. Casciola, Sci. Rep. 11, 20801 (2021). doi:10.1038/s41598-021-99863-z.
   PubMedGoogle Scholar
• I. Sanchez-Burgos, M.C. Muniz, J.R. Espinosa and A.Z. Panagiotopoulos, J. Chem. Phys. 158, 184504 (2023). doi:10.1063/5.0144500.
   PubMedGoogle Scholar
• C.P. Lamas, C. Vega, E.G. Noya and E. Sanz, J. Chem. Phys. 158, 124504 (2023). doi:10.1063/5.0139470.
   PubMedGoogle Scholar
• M. Duska, J. Chem. Phys. 152, 174501 (2020). doi:10.1063/5.0006431.
   PubMedGoogle Scholar
• A.R. Imre, G. Mayer, G. Hazi, R. Rozas and T. Kraska, J. Chem. Phys. 128, 114708 (2008). doi:10.1063/1.2837805.
   PubMed Web of Science ®Google Scholar
• C.P. Herrero, Phys. Rev. B 68, 172104 (2003). doi:10.1103/PhysRevB.68.172104.
   Google Scholar
• T. Matsui, T. Yagasaki, M. Matsumoto and H. Tanaka, J. Chem. Phys. 150, 041102 (2019). doi:10.1063/1.5083021.
   PubMedGoogle Scholar
• C.P. Herrero, R. Ramírez and G. Herrero-Saboya, Chem. Phys. 573, 112005 (2023). doi:10.1016/j.chemphys.2023.112005.
   Google Scholar
• R.P. Feynman, Statistical Mechanics (Addison-Wesley, New York, 1972).
   Google Scholar
• H. Kleinert, Path Integrals in Quantum Mechanics, Statistics and Polymer Physics (World Scientific, Singapore, 1990).
   Google Scholar
• M.J. Gillan, Phil. Mag. A 58, 257 (1988). doi:10.1080/01418618808205187.
   Google Scholar
• D.M. Ceperley, Rev. Mod. Phys. 67, 279 (1995). doi:10.1103/RevModPhys.67.279.
   Web of Science ®Google Scholar
• C.P. Herrero and R. Ramírez, J. Phys.: Condens. Matter 26, 233201 (2014).
   PubMed Web of Science ®Google Scholar
• S. Habershon, T.E. Markland and D.E. Manolopoulos, J. Chem. Phys. 131 (2), 024501 (2009). doi:10.1063/1.3167790.
   PubMed Web of Science ®Google Scholar
• S. Habershon and D.E. Manolopoulos, J. Chem. Phys. 131, 244518 (2009). doi:10.1063/1.3276109.
   PubMed Web of Science ®Google Scholar
• R. Ramírez and C.P. Herrero, Phys. Rev. B 84, 064130 (2011). doi:10.1103/PhysRevB.84.064130.
   Google Scholar
• P. Hamm, G.S. Fanourgakis and S.S. Xantheas, J. Chem. Phys. 147, 064506 (2017). doi:10.1063/1.4993166.
   PubMedGoogle Scholar
• A. Eltareb, G.E. Lopez and N. Giovambattista, Phys. Chem. Chem. Phys. 23, 6914–6928 (2021). doi:10.1039/D0CP04325G.
   PubMed Web of Science ®Google Scholar
• R. Ramírez and C.P. Herrero, J. Chem. Phys. 133, 144511 (2010). doi:10.1063/1.3503764.
   PubMedGoogle Scholar
• C.P. Herrero and R. Ramírez, J. Chem. Phys. 134, 094510 (2011). doi:10.1063/1.3559466.
   PubMed Web of Science ®Google Scholar
• S. Habershon and D.E. Manolopoulos, J. Chem. Phys. 135, 224111 (2011). doi:10.1063/1.3666011.
   PubMedGoogle Scholar
• C.P. Herrero and R. Ramírez, Phys. Rev. B 84, 224112 (2011). doi:10.1103/PhysRevB.84.224112.
   Google Scholar
• S. Rasti and J. Meyer, J. Chem. Phys. 150, 234504 (2019). doi:10.1063/1.5097021.
   PubMedGoogle Scholar
• C.P. Herrero and R. Ramirez, Chem. Phys. 461, 125–136 (2015). doi:10.1016/j.chemphys.2015.09.011.
   Web of Science ®Google Scholar
• B.S. Gonzalez, E.G. Noya, C. Vega and L.M. Sese, J. Phys. Chem. B 114, 2484–2492 (2010). doi:10.1021/jp910770y.
   PubMedGoogle Scholar
• R. Ramírez, N. Neuerburg and C.P. Herrero, J. Chem. Phys. 139, 084503 (2013). doi:10.1063/1.4818875.
   PubMedGoogle Scholar
• A. Eltareb, G.E. Lopez and N. Giovambattista, Sci. Rep. 12, 6004 (2022). doi:10.1038/s41598-022-09525-x.
   PubMedGoogle Scholar
• L. Hernández de la Peña, M.S. Gulam Razul and P.G. Kusalik, J. Chem. Phys. 123, 144506 (2005). doi:10.1063/1.2049283.
   PubMedGoogle Scholar
• T.F. Miller and D.E. Manolopoulos, J. Chem. Phys. 123, 154504 (2005). doi:10.1063/1.2074967.
   PubMed Web of Science ®Google Scholar
• L. Hernández de la Peña and P.G. Kusalik, J. Chem. Phys. 125, 054512 (2006). doi:10.1063/1.2238861.
   PubMedGoogle Scholar
• W.B. Holzapfel, J. Chem. Phys. 56, 712 (1972). doi:10.1063/1.1677221.
   Web of Science ®Google Scholar
• K. Nygård, M. Hakala, S. Manninen, A. Andrejczuk, M. Itou, Y. Sakurai, L.G.M. Pettersson and K. Hämäläinen, Phys. Rev. E 74, 031503 (2006). doi:10.1103/PhysRevE.74.031503.
   Google Scholar
• B. Pamuk, J.M. Soler, R. Ramírez, C.P. Herrero, P.W. Stephens, P.B. Allen and M.V. Fernández-Serra, Phys. Rev. Lett. 108, 193003 (2012). doi:10.1103/PhysRevLett.108.193003.
   PubMedGoogle Scholar
• G.J. Martyna, M.E. Tuckerman, D.J. Tobias and M.L. Klein, Mol. Phys. 87, 1117 (1996). doi:10.1080/00268979600100761.
   Web of Science ®Google Scholar
• M.E. Tuckerman and A. Hughes, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B.J. Berne, G. Ciccotti and D. F. Coker (Word Scientific, Singapore, 1998), p. 311.
   Google Scholar
• G.J. Martyna, A. Hughes and M.E. Tuckerman, J. Chem. Phys. 110, 3275–3290 (1999). doi:10.1063/1.478193.
   Web of Science ®Google Scholar
• M.E. Tuckerman, in Quantum Simulations of Complex Many–Body Systems: From Theory to Algorithms, edited by J. Grotendorst, D. Marx and A. Muramatsu (NIC, FZ Jülich, 2002), p. 269.
   Google Scholar
• C.A. Angell, M. Oguni and W.J. Sichina, J. Phys. Chem. 86, 998–1002 (1982). doi:10.1021/j100395a032.
   Web of Science ®Google Scholar
• I. Shvab and R.J. Sadus, Fluid Phase Equil. 407, 7–30 (2016). doi:10.1016/j.fluid.2015.07.040.
   Web of Science ®Google Scholar
• M.F. Herman, E.J. Bruskin and B.J. Berne, J. Chem. Phys. 76, 5150 (1982). doi:10.1063/1.442815.
   Web of Science ®Google Scholar
• C.P. Herrero and R. Ramírez, J. Phys. Chem. Solids 171, 110980 (2022). doi:10.1016/j.jpcs.2022.110980.
   Google Scholar
• J. Gu, A. Tian and G. Yan, Sci. China Ser. B-Chem. 39, 29–36 (1996).
   Web of Science ®Google Scholar
• M.R. Milovanovic, J.M. Zivkovic, D.B. Ninkovic, I.M. Stankovic and S.D. Zaric, Phys. Chem. Chem. Phys. 22, 4138–4143 (2020). doi:10.1039/C9CP07042G.
   PubMed Web of Science ®Google Scholar
• C.C. Yu, K.Y. Chiang, M. Okuno, T. Seki, T. Ohto, X. Yu, V. Korepanov, H.O. Hamaguchi, M. Bonn, J. Hunger and Y. Nagata, Nat. Commun. 11, 5977 (2020). doi:10.1038/s41467-020-19759-w.
   PubMedGoogle Scholar
• T. Seki, K.Y. Chiang, C.C. Yu, X. Yu, M. Okuno, J. Hunger, Y. Nagata and M. Bonn, J. Phys. Chem. Lett. 11, 8459–8469 (2020). doi:10.1021/acs.jpclett.0c01259.
   PubMed Web of Science ®Google Scholar
• F. Sciortino, U. Essmann, H.E. Stanley, M. Hemmati, J. Shao, G.H. Wolf and C.A. Angell, Phys. Rev. E 52, 6484–6491 (1995). doi:10.1103/PhysRevE.52.6484.
   Web of Science ®Google Scholar
• R. Ramírez and C.P. Herrero, J. Chem. Phys. 149, 041102 (2018). doi:10.1063/1.5045528.
   PubMedGoogle Scholar
• H.B. Callen, Thermodynamics and an Introduction to Thermostatistics (John Wiley, New York, 1985).
   Google Scholar
• R.J. Speedy, J. Phys. Chem. 86, 3002 (1982). doi:10.1021/j100212a038.
   Web of Science ®Google Scholar
• R.J. Speedy, J. Phys. Chem. 86, 982–991 (1982). doi:10.1021/j100395a030.
   Web of Science ®Google Scholar
• R. Ramírez and C.P. Herrero, Phys. Rev. B 101, 235436 (2020). doi:10.1103/PhysRevB.101.235436.
   Google Scholar