-
1
-
-
85036306442
-
-
P. G. Debenedetti, Metastable Liquids: Concepts and Principles (Princeton University Press, Princeton, 1998);, Hydration Processes in Biology. Theoretical and Experimental Approaches, Vol. 305 of NATO Advanced Studies Institute, Series A: Life Sciences, edited by M.-C. Bellissent-Funel (IOS Press, Amsterdam, 1998);, G. W. Robinson, S. Singh, S.-B. Zhu, and M. W. Evans, Water in Biology, Chemistry and Physics (World Scientific, Singapore, 1996)
-
P. G. Debenedetti, Metastable Liquids: Concepts and Principles (Princeton University Press, Princeton, 1998);Hydration Processes in Biology. Theoretical and Experimental Approaches, Vol. 305 of NATO Advanced Studies Institute, Series A: Life Sciences, edited by M.-C. Bellissent-Funel (IOS Press, Amsterdam, 1998);G. W. Robinson, S. Singh, S.-B. Zhu, and M. W. Evans, Water in Biology, Chemistry and Physics (World Scientific, Singapore, 1996).
-
-
-
-
5
-
-
0034226922
-
-
E. Velasco, L. Mederos, G. Navascués, P. C. Hemmer, and G. Stell, Phys. Rev. Lett. 85, 122 (2000);
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 122
-
-
Velasco, E.1
Mederos, L.2
Navascués, G.3
Hemmer, P.C.4
Stell, G.5
-
9
-
-
0001059022
-
-
J. Chem. Phys.J. M. Kincaid and G. Stell, 67, 420 (1977);
-
(1977)
, vol.67
, pp. 420
-
-
Kincaid, J.M.1
Stell, G.2
-
13
-
-
33646334087
-
-
Phys. Lett.J. M. Kincaid and G. Stell, 65A, 131 (1978);
-
(1978)
, vol.65A
, pp. 131
-
-
Kincaid, J.M.1
Stell, G.2
-
16
-
-
0000414702
-
-
A. Voronel, I. Paperno, S. Rabinovich, and E. Lapina, Phys. Rev. Lett. 50, 247 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.50
, pp. 247
-
-
Voronel, A.1
Paperno, I.2
Rabinovich, S.3
Lapina, E.4
-
17
-
-
4243722997
-
-
M. Appapillai and V. Heine, Cavendish Laboratory Technical Report No. 5, 1972 (unpublished)
-
See, for example, W. M. Shyu, J. H. Wehling, and M. R. Cordes, Phys. Rev. B 4, 1802 (1971);M. Appapillai and V. Heine, Cavendish Laboratory Technical Report No. 5, 1972 (unpublished);
-
(1971)
Phys. Rev. B
, vol.4
, pp. 1802
-
-
Shyu, W.M.1
Wehling, J.H.2
Cordes, M.R.3
-
21
-
-
0033886599
-
-
See, for example, S. H. Behrens, D. I. Christl, R. Emmerzael, P. Schurtenberger, and M. Borkovec, Langmuir 16, 2566 (2000);
-
(2000)
Langmuir
, vol.16
, pp. 2566
-
-
Behrens, S.H.1
Christl, D.I.2
Emmerzael, R.3
Schurtenberger, P.4
Borkovec, M.5
-
29
-
-
0000406376
-
-
T. M. Truskett, P. G. Debenedetti, S. Sastry, and S. Torquato, J. Chem. Phys. 111, 2647 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2647
-
-
Truskett, T.M.1
Debenedetti, P.G.2
Sastry, S.3
Torquato, S.4
-
30
-
-
0001574408
-
-
M. R. Sadr-Lahijany, A. Scala, S. V. Buldyrev, and H. E. Stanley, Phys. Rev. Lett. 81, 4895 (1998);
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 4895
-
-
Sadr-Lahijany, M.R.1
Scala, A.2
Buldyrev, S.V.3
Stanley, H.E.4
-
32
-
-
0343026419
-
-
Phys. Rev. EA. Scala, M. R. Sadr-Lahijany, N. Giovambattista, S. V. Buldyrev, H. E. Stanley, 63, 041202 (2001);
-
(2001)
, vol.63
, pp. 41202
-
-
Scala, A.1
Sadr-Lahijany, M.R.2
Giovambattista, N.3
Buldyrev, S.V.4
Stanley, H.E.5
-
34
-
-
0035825620
-
-
G. Franzese, G. Malescio, A. Skibinsky, S. V. Bulderev, and H. E. Stanley, Nature (London) 409, 692 (2001).
-
(2001)
Nature (London)
, vol.409
, pp. 692
-
-
Franzese, G.1
Malescio, G.2
Skibinsky, A.3
Bulderev, S.V.4
Stanley, H.E.5
-
37
-
-
0141637310
-
-
Phys. Rev. EE. A. Jagla63, 061509 (2001);
-
(2001)
, vol.63
, pp. 61509
-
-
Jagla, E.A.1
-
40
-
-
0036467757
-
-
S. Buldyrev, G. Franzese, N. Giovambattista, G. Malescio, M. R. Sadr-Lahijany, A. Scala, A. Skibinsky, and H. E. Stanley, Physica A 304, 23 (2002).
-
(2002)
Physica A
, vol.304
, pp. 23
-
-
Buldyrev, S.1
Franzese, G.2
Giovambattista, N.3
Malescio, G.4
Sadr-Lahijany, M.R.5
Scala, A.6
Skibinsky, A.7
Stanley, H.E.8
-
41
-
-
85036375254
-
-
J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic Press, London, 1976)
-
J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic Press, London, 1976).
-
-
-
-
42
-
-
84870726202
-
-
D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, San Diego, 1996);, M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1989)
-
D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, San Diego, 1996);M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1989).
-
-
-
-
43
-
-
0034642491
-
-
S. Falconi, M. Nardone, G. Monaco, and W. Crichton (private communication)
-
Y. Katayama, T. Mizutani, W. Utsumi, O. Shimomura, M. Yamakata, and K. Funakoshi, Nature (London) 403, 170 (2000);S. Falconi, M. Nardone, G. Monaco, and W. Crichton (private communication).
-
(2000)
Nature (London)
, vol.403
, pp. 170
-
-
Katayama, Y.1
Mizutani, T.2
Utsumi, W.3
Shimomura, O.4
Yamakata, M.5
Funakoshi, K.6
-
45
-
-
0000256814
-
-
P. H. Poole, F. Sciortino, U. Essmann, and H. E. Stanley, Nature (London) 360, 324 (1992);
-
(1992)
Nature (London)
, vol.360
, pp. 324
-
-
Poole, P.H.1
Sciortino, F.2
Essmann, U.3
Stanley, H.E.4
-
47
-
-
43949149492
-
-
H. E. Stanley, C. A. Angell, U. Essmann, M. Hemmati, P. H. Poole, and F. Sciortino, Physica A 206, 122 (1994);
-
(1994)
Physica A
, vol.206
, pp. 122
-
-
Stanley, H.E.1
Angell, C.A.2
Essmann, U.3
Hemmati, M.4
Poole, P.H.5
Sciortino, F.6
-
48
-
-
24444475043
-
-
F. Sciortino, P. H. Poole, U. Essmann, and H. E. Stanley, Phys. Rev. E 55, 727 (1997);
-
(1997)
Phys. Rev. E
, vol.55
, pp. 727
-
-
Sciortino, F.1
Poole, P.H.2
Essmann, U.3
Stanley, H.E.4
-
49
-
-
0000965995
-
-
P. H. Poole, F. Sciortino, T. Grande, H. E. Stanley, and C. A. Angell, Phys. Rev. Lett. 73, 1632 (1994);
-
(1994)
Phys. Rev. Lett.
, vol.73
, pp. 1632
-
-
Poole, P.H.1
Sciortino, F.2
Grande, T.3
Stanley, H.E.4
Angell, C.A.5
-
50
-
-
0001523624
-
-
Phys. Rev. Lett.S. Harrington, R. Zhang, P. H. Poole, F. Sciortino, and H. E. Stanley, 78, 2409 (1997);
-
(1997)
, vol.78
, pp. 2409
-
-
Harrington, S.1
Zhang, R.2
Poole, P.H.3
Sciortino, F.4
Stanley, H.E.5
-
51
-
-
0031029277
-
-
P. H. Poole, T. Grande, C. A. Angell, and P. F. McMillan, Science 275, 322 (1997);
-
(1997)
Science
, vol.275
, pp. 322
-
-
Poole, P.H.1
Grande, T.2
Angell, C.A.3
McMillan, P.F.4
-
52
-
-
0002502463
-
-
M. Canpolat, F. W. Starr, A. Scala, M. R. Sadr-Lahijany, O. Mishima, S. Havlin, and H. E. Stanley, Chem. Phys. Lett. 294, 9 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.294
, pp. 9
-
-
Canpolat, M.1
Starr, F.W.2
Scala, A.3
Sadr-Lahijany, M.R.4
Mishima, O.5
Havlin, S.6
Stanley, H.E.7
-
56
-
-
0030650777
-
-
C. A. Angell et al
-
C. T. Moynihan, in Structure and Dynamics of Glasses and Glass Formers, edited by C. A. Angell et al., Mater. Res. Soc. Symp. Proc. 455 (MRS, Pittsburgh, 1997), p. 411;
-
Mater. Res. Soc. Symp. Proc.
, vol.455
, pp. 411
-
-
Moynihan, C.T.1
-
61
-
-
0000442348
-
-
Phys. Rev. Lett.D. J. Lacks, 84, 4629 (2000);
-
(2000)
, vol.84
, pp. 4629
-
-
Lacks, D.J.1
-
64
-
-
85036190394
-
-
S. Sastry and C. A. Angell (unpublished)., For a review on liquid-liquid phase transitions, see New Kinds of Phase Transitions: Transformations in Disordered Substances, NATO Advances Research Workshop, Volga River, edited by V. V. Brazhkin, S. V. Buldyrev, V. N. Ryzhov, and H. E. Stanley (Kluwer, Dordrecht, 2002)
-
C. A. Angell, S. Borick, and M. Grabow, J. Non-Cryst. Solids 207, 463 (1996);S. Sastry and C. A. Angell (unpublished).For a review on liquid-liquid phase transitions, see New Kinds of Phase Transitions: Transformations in Disordered Substances, NATO Advances Research Workshop, Volga River, edited by V. V. Brazhkin, S. V. Buldyrev, V. N. Ryzhov, and H. E. Stanley (Kluwer, Dordrecht, 2002).
-
(1996)
J. Non-Cryst. Solids
, vol.207
, pp. 463
-
-
Angell, C.A.1
Borick, S.2
Grabow, M.3
-
71
-
-
85007439225
-
-
V. V. Brazhkin, E. L. Gromnitskaya, O. V. Stalgorova, and A. G. Lyapin, Rev. High Pressure Sci. Technol. 7, 1129 (1998);
-
(1998)
Rev. High Pressure Sci. Technol.
, vol.7
, pp. 1129
-
-
Brazhkin, V.V.1
Gromnitskaya, E.L.2
Stalgorova, O.V.3
Lyapin, A.G.4
-
77
-
-
0012575830
-
-
Physica (Amsterdam)G. S. Rushbrooke, 28, 259 (1960);
-
(1960)
, vol.28
, pp. 259
-
-
Rushbrooke, G.S.1
-
87
-
-
85036433660
-
-
The equations of state can be obtained following three different routes 16: by thermodynamic integration of (Formula presented) by using the Clausius virial theorem, or by integration of the Maxwell relations between P, entropy, and total energy. As already known 16, due to the approximated nature of the HNC closure, the results of the three different routes do not coincide, i.e., the theory is thermodynamically inconsistent. The inconsistency can be partially removed by modifying the closure in such a way that it depends on a parameter. This parameter is usually fixed by requiring that the virial pressure is equal to the pressure calculated through the compressibility route. In this way a more accurate estimate of the spinodal line is obtained and, due to the thermodynamic consistency, also the binodal (or coexistence) line can be calculated. However the numerical procedures becomes much more computational-time consuming than the solution of the HNC equations without the thermodynamic consistency. Therefore, for an extensive investigation in the parameter space of the model potential, we choose to solve the integral equations in the HNC approximation without imposing thermodynamic consistency
-
The equations of state can be obtained following three different routes 16: by thermodynamic integration of (Formula presented) by using the Clausius virial theorem, or by integration of the Maxwell relations between P, entropy, and total energy. As already known 16, due to the approximated nature of the HNC closure, the results of the three different routes do not coincide, i.e., the theory is thermodynamically inconsistent. The inconsistency can be partially removed by modifying the closure in such a way that it depends on a parameter. This parameter is usually fixed by requiring that the virial pressure is equal to the pressure calculated through the compressibility route. In this way a more accurate estimate of the spinodal line is obtained and, due to the thermodynamic consistency, also the binodal (or coexistence) line can be calculated. However the numerical procedures becomes much more computational-time consuming than the solution of the HNC equations without the thermodynamic consistency. Therefore, for an extensive investigation in the parameter space of the model potential, we choose to solve the integral equations in the HNC approximation without imposing thermodynamic consistency.
-
-
-
-
88
-
-
0000883322
-
-
The overall shape of the instability line with two local maxima is consistent with the phase diagram derived by C. F. Tejero and M. Baus, Phys. Rev. E 57, 4821 (1998) within a van der Walls approach for an effective density-dependent interaction potential.
-
(1998)
Phys. Rev. E
, vol.57
, pp. 4821
-
-
Tejero, C.F.1
Baus, M.2
-
89
-
-
85036319917
-
-
D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995)
-
D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995).
-
-
-
-
90
-
-
33750587438
-
-
H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. Di Nola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
Di Nola, A.4
Haak, J.R.5
-
91
-
-
85036159427
-
-
It is known that in finite systems a first-order transition gives rise to a transition region rather than a transition line (well defined only in the thermodynamic limit) 17
-
It is known that in finite systems a first-order transition gives rise to a transition region rather than a transition line (well defined only in the thermodynamic limit) 17.
-
-
-
-
92
-
-
0027654029
-
-
M. H. J. Hagen, E. J. Meijer, G. C. A. M. Mooij, D. Frenkel, and H. N. W. Lekkerkerker, Nature (London) 365, 425 (1993);
-
(1993)
Nature (London)
, vol.365
, pp. 425
-
-
Hagen, M.H.J.1
Meijer, E.J.2
Mooij, G.C.A.M.3
Frenkel, D.4
Lekkerkerker, H.N.W.5
-
93
-
-
0000366714
-
-
C. F. Tejero, A. Daanoun, H. N. W. Lekkerkerker, and M. Baus, Phys. Rev. Lett. 73, 752 (1994);
-
(1994)
Phys. Rev. Lett.
, vol.73
, pp. 752
-
-
Tejero, C.F.1
Daanoun, A.2
Lekkerkerker, H.N.W.3
Baus, M.4
|