Low-temperature behavior of core-softened models: Water and silica behavior

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 63, Issue 6, 2001, Pages

  Jagla, E A ^a  

^a CENTRO ATÓMICO BARILOCHE   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; FLUID DYNAMICS; LOW TEMPERATURE PROPERTIES; MATHEMATICAL MODELS; MONTE CARLO METHODS; PHASE TRANSITIONS; SILICA; STABILITY; WATER;

CORE-SOFTENED MODEL; FIRST-ORDER AMORPHOUS-AMORPHOUS TRANSITION; GLASS FORMING FLUID; GLOBAL MECHANICAL INSTABILITY; METROPOLIS ALGORITHM;

FLUIDS;

EID: 0141637310     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.63.061509     Document Type: Article

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22. Note that ‘’fluctuations” present in all results shown at (Formula presented) are originated in mechanical instabilities of the system, which are due to spatial inhomogeneities, and then they are not due to short simulation time. In fact in our (Formula presented) simulations it can be formally considered that the simulation time is arbitrarily large, since mechanical equilibrium is achieved at each simulated point.
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26. Experiments and simulations show that silica does not reach its original density upon compression-decompression, but remains in a densified state, which is not exactly the behavior of our model without attraction. But actually some amount of attraction exists indeed in silica, and then this effect can be easily justified with our model, even in a case in which a first-order transition is absent.