Reverse Monte Carlo modeling of Li2S-P2S5superionic conductors
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 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 کاملCharge Transport in Polymer Ion Conductors: a Monte Carlo Study
Chain polymers carrying electro-negative atoms (e.g. oxygen or nitrogen) in their repeat unit can act as solvents for certain salts. Well-known examples are Li-salts dissolved in polyethylene-oxide (PEO). At temperatures sufficiently above the glass-transition temperature these polymer-salt solutions show significant DC ionic (Li) conductivities. Such ”polymer electrolytes” offer widespread app...
متن کاملEfficient Monte Carlo Device Modeling
A single-particle approach to full-band Monte Carlo device simulation is presented which allows an efficient computation of drain, substrate and gate currents in deep submicron MOSFETs. In this approach, phase-space elements are visited according to the distribution of real electrons. This scheme is well adapted to a test-function evaluation of the drain current, which emphasizes regions with l...
متن کاملReverse Monte Carlo modeling of thermal disorder in crystalline materials from EXAFS spectra
a r t i c l e i n f o a b s t r a c t Keywords: Reverse Monte Carlo EXAFS Wavelet analysis Germanium Rhenium trioxide In this work we present the Reverse Monte Carlo (RMC) modeling scheme, designed to probe the local structural and thermal disorder in crystalline materials by fitting the wavelet transform (WT) of the EXAFS signal. Application of the method to the analysis of the Ge K-edge and R...
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: Journal of Physics: Conference Series
سال: 2012
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/340/1/012058