Reverse Monte Carlo modeling of amorphous alloys and covalent glasses
نویسندگان
چکیده
منابع مشابه
Reverse Monte Carlo modeling of amorphous silicon
An implementation of the reverse Monte Carlo algorithm is presented for the study of amorphous tetrahedral semiconductors. By taking into account a number of constraints that describe the tetrahedral bonding geometry along with the radial distribution function, we construct a model of amorphous silicon using the reverse Monte Carlo technique. Starting from a completely random configuration, we ...
متن کاملReverse Monte Carlo modeling of ion conducting network glasses: an evaluation based on molecular dynamics simulations.
We investigate the quality of structural models generated by the Reverse Monte Carlo (RMC) method in a typical application to glass systems. To this end we calculate diffraction data from a Li(2)O-SiO(2) molecular dynamics (MD) simulation and use it, in addition to minimal pair distances and coordination numbers of silicon (oxygen) to oxygen (silicon) ions, as input for RMC modeling. Then we co...
متن کاملReverse Monte Carlo modelling
Reverse Monte Carlo (RMC) modelling is a general method of structural modelling based on experimental data. RMC modelling can be applied to many different sorts of data, simultaneously if wished. Powder and single-crystal neutron diffraction (including isotopic substitution), x-ray diffraction (including anomalous scattering) and electron diffraction, extended x-ray absorption fine structure an...
متن کاملOptimized Monte Carlo Method for glasses
A new Monte Carlo algorithm is introduced for the simulation of supercooled liquids and glass formers, and tested in two model glasses. The algorithm is shown to thermalize well below the Mode Coupling temperature and to outperform other optimized Monte Carlo methods. Using the algorithm, we obtain finite size effects in the specific heat. This effect points to the existence of a large correlat...
متن کاملMonte Carlo algorithms for diluted spin glasses
Recently a cluster Monte Carlo algorithm has been used very successfully in the two-dimensional Edwards-Anderson (EA) model. We show that this algorithm and a variant thereof can also be used successfully in models with a non-zero spin glass transition temperature. The application of such algorithms to the site-diluted EA model in three dimensions is discussed and the efficiency of the two algo...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2002
ISSN: 0108-7673
DOI: 10.1107/s0108767302087007