RT info:eu-repo/semantics/article
T1 Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon
A1 Fisicaro, Giuseppe
A1 Pelaz Montes, María Lourdes
A1 López Martín, Pedro
A1 La Magna, Antonino
K1 Silicon
K1 Laser irradiation
K1 Irradicación con láser
AB 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 formalism, implementation, and related tests of our computational code are discussed in detail. As an application example we analyze the evolution of the defect system caused by P ion implantation in Si under nanosecond pulsed irradiation. The simulation results suggest a significant annihilation of the implantation damage which can be well controlled by the laser fluence.
PB American Physical Society
SN 1539-3755
YR 2012
FD 2012
LK http://uvadoc.uva.es/handle/10324/28969
UL http://uvadoc.uva.es/handle/10324/28969
LA eng
NO Physical Review E, 2012, 86, 036705
NO Producción Científica
DS UVaDOC
RD 23-nov-2024