On Relative Stability of Selected Hard Tetramer Solids
نویسندگان
چکیده
منابع مشابه
On the stability of the plastic crystal phase of hard dumbbell solids
We consider the thermodynamic properties of the solid phase and solid-fluid phase equilibria of hard dumbbells. The focus of the present work is a more detailed study of the stability of the orientationally disordered (plastic crystal) solid phase relative to other solid phases and to the fluid. Our results indicate that the plastic crystal is not stable for values of L* (the separation of the ...
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By extending the nonequilibrium potential refinement algorithm and lattice switch method to the semigrand ensemble, the semigrand potentials of the fcc and hcp structures of polydisperse hard-sphere crystals are calculated with the bias sampling scheme. The result shows that the fcc structure is more stable than the hcp structure for polydisperse hard-sphere crystals below the terminal polydisp...
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ژورنال
عنوان ژورنال: Computational Methods in Science and Technology
سال: 2010
ISSN: 1505-0602
DOI: 10.12921/cmst.2010.16.02.141-146