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Volumn 66, Issue 5, 2002, Pages 14-

Metastable liquid-liquid phase transition in a single-component system with only one crystal phase and no density anomaly

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM PHASE DIAGRAMS; HIGH DENSITY LIQUID (HDL); LIQUID-LIQUID PHASE TRANSITION; LOW DENSITY LIQUID (LDI);

EID: 37649027127     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.66.051206     Document Type: Article
Times cited : (108)

References (96)
  • 1
    • 85036306442 scopus 로고    scopus 로고
    • 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).
  • 9
    • 0001059022 scopus 로고
    • J. Chem. Phys.J. M. Kincaid and G. Stell, 67, 420 (1977);
    • (1977) , vol.67 , pp. 420
    • Kincaid, J.M.1    Stell, G.2
  • 12
    • 0001286466 scopus 로고
    • Phys. Lett.D. Levesque and J. J. Weis, 60A, 473 (1977);
    • (1977) , vol.60A , pp. 473
    • Levesque, D.1    Weis, J.J.2
  • 13
    • 33646334087 scopus 로고
    • Phys. Lett.J. M. Kincaid and G. Stell, 65A, 131 (1978);
    • (1978) , vol.65A , pp. 131
    • Kincaid, J.M.1    Stell, G.2
  • 17
    • 4243722997 scopus 로고
    • M. Appapillai and V. Heine, Cavendish Laboratory Technical Report No. 5, 1972 (unpublished)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 B 4, 1802 (1971);M. Appapillai and V. Heine, Cavendish Laboratory Technical Report No. 5, 1972 (unpublished);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
  • 37
    • 0141637310 scopus 로고    scopus 로고
    • Phys. Rev. EE. A. Jagla63, 061509 (2001);
    • (2001) , vol.63 , pp. 61509
    • Jagla, E.A.1
  • 41
    • 85036375254 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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).
  • 56
    • 0030650777 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • Phys. Rev. Lett.D. J. Lacks, 84, 4629 (2000);
    • (2000) , vol.84 , pp. 4629
    • Lacks, D.J.1
  • 64
    • 85036190394 scopus 로고    scopus 로고
    • 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
  • 77
    • 0012575830 scopus 로고
    • Physica (Amsterdam)G. S. Rushbrooke, 28, 259 (1960);
    • (1960) , vol.28 , pp. 259
    • Rushbrooke, G.S.1
  • 87
    • 85036433660 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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).
  • 91
    • 85036159427 scopus 로고    scopus 로고
    • 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.


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