We apply computational methods including first principles, tight binding, interatomic potentials, and coupling of length scales approaches to the simulation of mechanical properties. Applications range from static calculations of quantities such as ideal strength and ductility criteria, to dynamic simulations of finite
We apply computational methods including first principles, tight binding, interatomic potentials, and coupling of length scales approaches to the simulation of mechanical properties. Applications range from static calculations of quantities such as ideal strength and ductility criteria, to dynamic simulations of finite-temperature ideal strength and dynamic fracture.
Mechanical properties are determined by the int