Discrete and Continuous Models and Applied Computational ScienceDiscrete and Continuous Models and Applied Computational Science2658-46702658-7149Peoples' Friendship University of Russia8362Research ArticleParallel Algorithm and MPI Implementation of Numerical Study of Phase Transition in the 3D Thermal Spike ModelAmirkhanovI VLaboratory of Information Technologiescamir@jinr.ruZemlyanayaE VLaboratory of Information Technologieselena@jinr.ruSarkerN RLaboratory of Information Technologiessarker@jinr.ruSarkhadovI SLaboratory of Information Technologiesibrohim@jinr.ruTukhlievZ KLaboratory of Information Technologieszafar@jinr.ruSharipovZ ALaboratory of Information Technologieszarif@jinr.ruJoint Institute for Nuclear Research15022014220621008092016Copyright © 2014,2014We present an algorithm and parallel computer code for numerical investigation of the thermal processes and phase transitions in materials irradiated by the high energy heavy ion beams. We employ the modified thermal spike model based on the coupled heat conductivity equations for the electron gas and the ion lattice subsystems in the target sample. This system of equations is numerically solved in the cylindrical coordinate system in axially non-symmetric (3D) case. We utilize an expansion of the source function in spherical harmonics, a finite difference approximation and semi-explicit numerical scheme. The dynamics of phase transitions is implemented on the basis of the enthalpy approach. The mathematical formulation of the problem is given; a numerical scheme is described; a parallel algorithm is presented on the basis of the MPI technique (Message Passing Interface). The test calculations on the K100 multi-processor cluster (KIAM RAS, Moscow) with various dimension of the finite-difference mesh and with different number of parallel processors demonstrate efficiency of the C++/MPI code.modelingnumerical methodsphase transitionsthermal spike modelparallel algorithmмоделированиечисленные методыфазовый переходмодель термического пикапараллельный алгоритм