MPI Implementation of the 2D and 3D Simulation of Phase Transitions in Materials Irradiated by Heavy Ion Beams within the Thermal Spike Model

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We present the MPI-based implementation of the method of 2D and 3D calculations of the evolution of temperature fields and the phase transitions dynamics in materials irradiated by high-energy heavy ion and by pulsed ion beams. We utilize a modified thermal spike model based on a system of coupled heat conductivity equation describing thermal processes in the electron and ion subsystems of the target sample. Such equations are numerically solved in the cylindrical coordinate system in axially symmetric (2D) and axially nonsymmetrical (3D) cases. The dynamics of phase transitions is realized on the basis of Stephan’s problem in the framework of the enthalpy approach. The mathematical formulation of the problem is given; a numerical scheme is described; a parallel algorithm is presented. The numerical results confirm the efficiency of our approach and the corresponding MPI/C++ computer code. It is shown that the results of numerical simulations are in agreement with experimental estimations of the track sizes which appear in the target samples exposed to heavy ion.

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I Amirkhanov

Joint Institute for Nuclear Research

Email: camir@jinr.ru
Laboratory of Information Technologies

E Zemlyanaya

Joint Institute for Nuclear Research

Email: elena@jinr.ru
Laboratory of Information Technologies

N Sarker

Joint Institute for Nuclear Research

Email: sarker@jinr.ru
Laboratory of Information Technologies

I Sarkhadov

Joint Institute for Nuclear Research

Email: ibrohim@jinr.ru
Laboratory of Information Technologies

Z Tukhliev

Joint Institute for Nuclear Research

Email: zafar@jinr.ru
Laboratory of Information Technologies

Z Sharipov

Joint Institute for Nuclear Research

Email: zarif@jinr.ru
Laboratory of Information Technologies

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