AbstractsPhysics

Abstract Modification of surface structure of metals by short pulse laser irradiation is increasingly used for tailoring surface properties for the needs of practical applications. The rapid energy deposition and shallow heat affected zones in the irradiated metal targets minimize the residual damage and enable micro/nanostructuring of surfaces with good quality and reproducibility. The limited understanding of the underlying physics and interrelations between the processes responsible for laser-induced structural transformations, however, slows down the design of new laser driven techniques for advanced material processing. Under conditions when the fast rates of the laser-induced processes and the small size of laser-modified regions present a challenge for experimental characterization, computational modeling is playing an increasingly important role in the development of the theoretical understanding of the laser-materials interactions and the advancement of laser applications. In this computational study, the microscopic mechanisms and kinetics of fast laser-induced phase transformations in metal targets irradiated by short laser pulses are investigated in large-scale atomistic computer simulations. The computational model used in the simulations combines the classical molecular dynamics method with a continuum description of the laser excitation of conduction band electrons, electron-phonon equilibration, and electron heat conduction in the irradiated metal targets. The characteristics of short pulse laser interaction with metal targets in vacuum and under conditions of spatial confinement by a solid transparent overlayer are investigated in a series of atomistic simulations. Three distinct regimes of the material response to the laser energy deposition are identified in the simulations, namely, the regime of laser-induced melting and solidification of the surface region of the target, the regime of photomechanical spallation, and the so-called “phase explosion regime” characterized by an explosive disintegration of a superheated surface region into a vapor and small liquid droplets. The confinement by a transparent overlayer has strong effect on the laser induced processes, including the decrease in the maximum depth of melting and suppression of the spallation and phase explosion. The computational investigation of the laser-induced generation of crystal defects reveals the formation of a high density of point defects (mostly vacancies and some interstitials) in the surface regions of the metal targets. The generation of a high density of vacancies have important implications on the physical, chemical, and mechanical properties of the surface layers. Computational analysis reveals a strong correlation between the solidification front velocity and the concentration of vacancies, which in turn suggests that the vacancies are mainly generated at the rapidly advancing solidification front under conditions of strong undercooling below the melting temperature of the target material. The laser-induced generation… Advisors/Committee Members: Zhigilei, Leonid (advisor).