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Volumn 62, Issue 2, 2000, Pages 2388-2404

Molecular correlations in a supercooled liquid

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; DEGREES OF FREEDOM (MECHANICS); HYDROGEN BONDS; LIQUIDS; MOLECULAR STRUCTURE; MOLECULES; SUPERCOOLING; THERMAL EFFECTS; WATER;

EID: 0034238660     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.62.2388     Document Type: Article
Times cited : (32)

References (71)
  • 1
    • 85036257043 scopus 로고    scopus 로고
    • See, for example, Proceedings of the 6th International Workshop on Disordered Systems, Andalo [Philos. Mag B 77 (1998)];. Proceedings of the 3rd International Discussion Meeting on Relaxation in Complex Systems, Vigo [J. Non-Cryst. Solids 235-237, (1998)]
    • See, for example, Proceedings of the 6th International Workshop on Disordered Systems, Andalo [Philos. Mag B 77 (1998)];.Proceedings of the 3rd International Discussion Meeting on Relaxation in Complex Systems, Vigo [J. Non-Cryst. Solids 235-237, (1998)]
  • 3
    • 85036240226 scopus 로고    scopus 로고
    • R. Schilling in Disorder Effects on Relaxational Processes, edited by R. Richert and A. Blumen (Springer, Berlin, 1994)
    • R. Schilling in Disorder Effects on Relaxational Processes, edited by R. Richert and A. Blumen (Springer, Berlin, 1994).
  • 4
    • 0000795084 scopus 로고
    • See, for example, S. Franz and G. Parisi, J. Phys. I 5, 1401 (1995), and references therein.
    • (1995) J. Phys. I , vol.5 , pp. 1401
    • Franz, S.1    Parisi, G.2
  • 17
    • 85036430767 scopus 로고    scopus 로고
    • Dynamics of Disordered Materials, Vol. 37 of Proceedings in Physics, edited by D. Richter, A. J. Dianoux, W. Petry, and J. Teixera, (Springer, Berlin, 1989)
    • Dynamics of Disordered Materials, Vol. 37 of Proceedings in Physics, edited by D. Richter, A. J. Dianoux, W. Petry, and J. Teixera, (Springer, Berlin, 1989).
  • 18
    • 85036192429 scopus 로고    scopus 로고
    • Relaxation Kinetics in Supercooled Liquids—Mode Coupling Theory and its Experimental Tests, edited by S. Yip, special issue of Transp. Theory Stat. Phys. 24, (1995)
    • Relaxation Kinetics in Supercooled Liquids—Mode Coupling Theory and its Experimental Tests, edited by S. Yip, special issue of Transp. Theory Stat. Phys. 24, (1995).
  • 34
    • 85036147678 scopus 로고    scopus 로고
    • The ionic glass former CKN could be considered as an exception, although it contains molecular units like (Formula presented) ions
    • The ionic glass former CKN could be considered as an exception, although it contains molecular units like (Formula presented) ions.
  • 38
    • 85036432769 scopus 로고    scopus 로고
    • C. Theis, Diploma thesis, Johannes Gutenberg-Universität Mainz, 1997
    • C. Theis, Diploma thesis, Johannes Gutenberg-Universität Mainz, 1997.
  • 44
    • 85036412833 scopus 로고    scopus 로고
    • A. Winkler, Diploma thesis, Johannes Gutenberg-Universität Mainz, 1998
    • A. Winkler, Diploma thesis, Johannes Gutenberg-Universität Mainz, 1998.
  • 45
    • 85036266480 scopus 로고    scopus 로고
    • The validity of the factorization in (i) is guaranteed when the largest eigenvalue (Formula presented) of the stability matrix (see, e.g., 18 for simple liquids) at the critical temperature related to the nonlinear equation for the nonergodicity parameter is not degenerate. In the case that the vertices of the memory kernel that enters the MCT equations are positive, this is automatically fulfilled. Since the vertices occurring in MMCT are neither real nor positive this nondegeneracy does not hold necessarily. Nevertheless, we expect that (Formula presented) in the generic case is nondegenerate. An investigation of (Formula presented) for a system of diatomic molecules confirms this statement 28. The second scaling law is easily proved by showing that the Laplace transformed MMCT equations for (Formula presented) are invariant under the rescaling (Formula presented) for any real number y, provided the microscopic frequencies are neglected
    • The validity of the factorization in (i) is guaranteed when the largest eigenvalue (Formula presented) of the stability matrix (see, e.g., 18 for simple liquids) at the critical temperature related to the nonlinear equation for the nonergodicity parameter is not degenerate. In the case that the vertices of the memory kernel that enters the MCT equations are positive, this is automatically fulfilled. Since the vertices occurring in MMCT are neither real nor positive this nondegeneracy does not hold necessarily. Nevertheless, we expect that (Formula presented) in the generic case is nondegenerate. An investigation of (Formula presented) for a system of diatomic molecules confirms this statement 28. The second scaling law is easily proved by showing that the Laplace transformed MMCT equations for (Formula presented) are invariant under the rescaling (Formula presented) for any real number y, provided the microscopic frequencies are neglected.
  • 51
    • 85036422407 scopus 로고    scopus 로고
    • The orientational order in simulated liquid water has recently been studied in real space via the introduction of ad hoc angular correlations. See
    • The orientational order in simulated liquid water has recently been studied in real space via the introduction of ad hoc angular correlations.
  • 64
    • 85036398431 scopus 로고    scopus 로고
    • Properties of the molecular correlators under rotations for the case of linear molecules have been discussed in 2223 and for arbitrary molecules in 24
    • Properties of the molecular correlators under rotations for the case of linear molecules have been discussed in 2223 and for arbitrary molecules in 24.
  • 67
    • 85036243507 scopus 로고    scopus 로고
    • The minimum seen in all correlators around 0.5 ps is a finite-size effect connected to the low frequency cutoff of the density of states imposed by the boundary conditions and/or by the undamped propagation of the sound waves through the boundary conditions. Enhanced oscillations in the picosecond region have been observed in several molecular dynamics studies of supercooled liquids, especially close to the ideal-glass transitions, and finite-size-effect studies have shown that these oscillations are spurious. In network-forming liquids there is evi-dence that the finite-size effects may be superimposed on a much weaker oscillation associated with the time domain manifestation of the boson peak
    • The minimum seen in all correlators around 0.5 ps is a finite-size effect connected to the low frequency cutoff of the density of states imposed by the boundary conditions and/or by the undamped propagation of the sound waves through the boundary conditions. Enhanced oscillations in the picosecond region have been observed in several molecular dynamics studies of supercooled liquids, especially close to the ideal-glass transitions, and finite-size-effect studies have shown that these oscillations are spurious. In network-forming liquids there is evi-dence that the finite-size effects may be superimposed on a much weaker oscillation associated with the time domain manifestation of the boson peak.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.