ABSTRACT
This chapter addresses to users of finite element codes who want to learn more about Molecular Dynamic Unite Element Method, its background in molecular mechanics, the new class of finite elements needed to obtain the same results as traditional molecular dynamic (MD) software, applicable time integration schemes, and other implementation issues. A lot of constitutive material models have been developed so far to describe softening behavior, hysteresis loops, friction, or fatigue. The mechanical behavior observed in the classical MD simulations can be used as motivation for models on microscale. Regardless of the length scale, numerical models can be classified by the simulation technique used, namely, particle mechanics or continuum mechanics. A basic simplification of the Schrodinger equation which is named after Max Born and Julius Robert Oppenheimer is to separate the equations of motion with regard to the electrons and the nuclei.
