The phase diagram of ice: a quasi-harmonic study based on a flexible water model

The phase diagram of ice is studied by a quasi-harmonic approximation. The free energy of all experimentally known ice phases has been calculated with the flexible q-TIP4P/F model of water. The only exception is the high pressure ice X, in which the presence of symmetric O-H-O bonds prevents its modeling with this empirical interatomic potential. The simplicity of our approach allows us to study ice phases at state points of the T-P plane that have been omitted in previous simulations using free energy methods based on thermodynamic integration. The effect in the phase diagram of averaging the proton disorder that appears in several ice phases has been studied. It is found particularly relevant for ice III, at least for cell sizes typically used in phase coexistence simulations. New insight into the capability of the employed water model to describe the coexistence of ice phases is presented. We find that the H-ordered ices IX and XIV, as well as the H-disordered ice XII, are particularly stable for this water model. This fact disagrees with experimental data. The unexpected large stability of ice IX is a property related to the TIP4P-character of the water model. Only after omission of these three stable ice phases, the calculated phase diagram becomes in reasonable qualitative agreement to the experimental one in the T-P region corresponding to ice Ih, II, III, V, and VI. The calculation of the phase diagram in the quantum and classical limits shows that the most important quantum effect is the stabilization of ice II due to its lower zero-point energy when compared to that one of ices Ih, III, and V.Comment: 13 pages, 8 figures, 5 table

Atypical Thermonuclear Supernovae from Tidally Crushed White Dwarfs

Suggestive evidence has accumulated that intermediate mass black holes (IMBH) exist in some globular clusters. As stars diffuse in the cluster, some will inevitable wander sufficiently close to the hole that they suffer tidal disruption. An attractive feature of the IMBH hypothesis is its potential to disrupt not only solar-type stars but also compact white dwarf stars. Attention is given to the fate of white dwarfs that approach the hole close enough to be disrupted and compressed to such extent that explosive nuclear burning may be triggered. Precise modeling of the dynamics of the encounter coupled with a nuclear network allow for a realistic determination of the explosive energy release, and it is argued that ignition is a natural outcome for white dwarfs of all varieties passing well within the tidal radius. Although event rates are estimated to be significantly less than the rate of normal Type Ia supernovae, such encounters may be frequent enough in globular clusters harboring an IMBH to warrant a search for this new class of supernova.Comment: 13 pages, 4 figures, ApJ, accepte