Modeling of laser interactions with metals using a hybrid atomistic-continuum approach

The modeling of interaction of metallic materials with lasers requires an accurate description of laser energy absorption, heat generation/transfer, and energy dissipation that can result in ablation, spallation, melting and shock compression. Such a capability is available through a hybrid atomistic-continuum method that combines classical molecular dynamics (MD) with the two-temperature model (TTM) to model the ultra-fast heating, melting, and shock generation in metals. The MD-TTM framework is extended to FCC Al and BCC Ta systems, wherein the electronic-temperature-dependent electron heat capacity, electron thermal conductivity, and electron-phonon coupling factor are parameterized via first-principles simulations. The capability is demonstrated by investigating the spall failure behaviors of Al and Ta systems under femtosecond laser shock loading. The talk will discuss the details of MD-TTM simulations, including the implementation of the framework, the parameterization of the TTM, and the interaction of lasers with microstructures of Al and Ta systems.