Calculation of the thermal conductivity coefficient of nanocrystals

Mathematical modeling methods are powerful tools in the design of various types nanosystems and analysis processes taking place them. Note that main tasks mathematical nanoscale systems are: formation nanoelements, interaction individual elements nanosystem, determination structure isolated nanosystem dynamic states, calculation parameters during its with environment, macro nanosystem. With this work, we continue consistent presentation theoretical foundations, modeling, results calculations characteristics nanosystems, based on work different nanosystems. This paper provides physical basis as well numerical for calculating thermal conductivity homogeneous Computer simulation coefficient silicon-based nanocrystals by molecular dynamics was carried out LAMMPS software complex. Equations describing multi-particle MEAM potentials considered. The problem determining has been solved several steps. In calculations, value can be calculated ways. uses Green - Kubo formalism, which associates autocorrelation function heat flow conductivity. Temperature dependencies materials determined. Calculations thermophysical were made. curves temperature dependence dimensions presented. Data obtained using compared experimental data. It found nature values