منابع مشابه
Thermodynamics of glasses: a first principle computation
We propose a first principle computation of the thermodynamics of simple fragile glasses starting from the two body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being built of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expansion, valid ...
متن کاملThermodynamics of glasses: a first principles computation
We propose a first principles computation of the thermodynamics of simple fragile glasses starting from the two-body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being build of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expansion, valid...
متن کاملFactors influencing deformation stability of binary glasses.
A possible mechanism of strain accommodation in large deformation of glasses is crystallization; deformation stability is a measure of the resistance of glasses to crystallization. We study the effect of atomic size ratio and atomic stiffness parameter (related to the curvature of the interatomic potential) on deformation stability of binary glasses using molecular static simulations. The defor...
متن کاملThermodynamics of Extraction of Zn2+ from Sulfuric Acid Media with a Mixture of Dehpa and Mehpa
Thermodynamics of extraction of Zn2+ from sulfuric acid media contacting to a mixture of DEHPA and MEHPA diluted with 80 wt% aromatic-aliphatic kerosene with a constant DEHPA to MEHPA ratio is investigated at different acidities, concentrations and temperatures. As a result, the extraction reaction is found to be endothermic with a zinc distribution factor that increases with increasing of the ...
متن کاملfirst principle computation of the low temperature thermodynamics of glasses
We propose a first principle computation of the equilibrium thermodynamics of simple fragile glasses starting from the two body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being built of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expan...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1999
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.480246