Andrey Kudinov

• National Research Nuclear University MEPhI

Thermal decomposition of methane was simulated at high temperature and pressure using the molecular dynamics method. The calculation was carried out employing ReaxFFlg potential. We show the dependence of the decomposition products on time and the results of methane polymerization at constant temperature. We also show the influence of gradual tempe...

Shockwave compression of methane was simulated using the molecular dynamics method with Hugoniostat and MSST approach. The calculation was carried out employing ReaxFFlg potential. We show comparison of simulated Hugoniots for pressure range 0,1-44 GPa and times required for simulation run of two different methods. We also compare two ReaxFF potent...

The molecular dynamics method was used for simulation of thermal decomposition of hydrogen molecules. As a test substances, we used liquid hydrogen. Interaction between hydrogen molecules in the system was described by the ReaxFF potential force field (2008). We show the time dependences of change in the amount of decomposition products. The activa...

For the first time we demonstrate the application of the equation of state based on a perturbation theory to calculate the properties of condensed aluminum on isothermal and shock compression. For a description of the interatomic interaction in metals the Morse pair potential is used. The calculation results are in good agreement with an experiment...