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Pulsed laser irradiation of damaged solids promotes ultrafast nonequilibrium kinetics, on the submicrosecond scale, leading to microscopic modifications of the material state. Reliable theoretical predictions of this evolution can be achieved only by simulating particle interactions in the presence of large and transient gradients of the thermal field. We propose a kinetic Monte Carlo (KMC) method for the simulation of damaged systems in the extremely far-from-equilibrium conditions caused by the laser irradiation. The reference systems are nonideal crystals containing point defect excesses, an order of magnitude larger than the equilibrium density, due to a preirradiation ion implantation process. The thermal and, eventual, melting problem is solved within the phase-field methodology, and the numerical solutions for the space-and time-dependent thermal field were then dynamically coupled to the KMC code. The …
American Physical Society
Publication date: 
27 Sep 2012

Giuseppe Fisicaro, L Pelaz, P Lopez, Antonino La Magna

Biblio References: 
Volume: 86 Issue: 3 Pages: 036705
Physical Review E