Transitions between metastable states in silica clusters

作者: Claudio Brangian , Oreste Pilla , Gabriele Viliani

DOI: 10.1080/13642819908223084

关键词:

摘要: Relaxation phenomena in glasses can be related to jump processes between different minima of the potential energy configuration space. These transitions play a key role low temperature regime, giving rise tunneling systems responsible for anomalous specific heat and thermal conductivity disordered solids with respect crystals. By using recently developed numerical algorithm, we study landscape silica clusters, taking as starting point location first order saddle points. This allows us find great number adjacent minima. We analyze degree cooperativity these connection physical properties topology also identify two-level (pairs constituting system) calculate quantum mechanical ground state splitting by means WKB approximation.

参考文章(17)
L. Angelani, G. Parisi, G. Ruocco, G. Viliani, Connected Network of Minima as a Model Glass: Long Time Dynamics Physical Review Letters. ,vol. 81, pp. 4648- 4651 ,(1998) , 10.1103/PHYSREVLETT.81.4648
R. Stephen. Berry, POTENTIAL SURFACES AND DYNAMICS : WHAT CLUSTERS TELL US Chemical Reviews. ,vol. 93, pp. 2379- 2394 ,(1993) , 10.1021/CR00023A003
G. Daldoss, O. Pilla, G. Viliani, Search for tunnelling centres in Lennard-Jones clusters Philosophical Magazine Part B. ,vol. 77, pp. 689- 698 ,(1998) , 10.1080/13642819808204996
G. Daldoss, O. Pilla, G. Viliani, C. Brangian, G. Ruocco, Energy landscape, two-level systems, and entropy barriers in Lennard-Jones clusters Physical Review B. ,vol. 60, pp. 3200- 3205 ,(1999) , 10.1103/PHYSREVB.60.3200
Jonathan P. K. Doye, David J. Wales, Thermodynamics of Global Optimization Physical Review Letters. ,vol. 80, pp. 1357- 1360 ,(1998) , 10.1103/PHYSREVLETT.80.1357
H Frauenfelder, S. Sligar, P. Wolynes, The energy landscapes and motions of proteins. Science. ,vol. 254, pp. 1598- 1603 ,(1991) , 10.1126/SCIENCE.1749933
Yves Guissani, Bertrand Guillot, A numerical investigation of the liquid–vapor coexistence curve of silica Journal of Chemical Physics. ,vol. 104, pp. 7633- 7644 ,(1996) , 10.1063/1.471471
Peter Hanggi, Escape from a Metastable State Journal of Statistical Physics. ,vol. 42, pp. 105- 148 ,(1986) , 10.1007/BF01010843
Andreas Heuer, Properties of a glass-forming system as derived from its potential energy landscape Physical Review Letters. ,vol. 78, pp. 4051- 4054 ,(1997) , 10.1103/PHYSREVLETT.78.4051
A. Heuer, R. J. Silbey, Microscopic description of tunneling systems in a structural model glass. Physical Review Letters. ,vol. 70, pp. 3911- 3914 ,(1993) , 10.1103/PHYSREVLETT.70.3911