By the recent advancements of nano-technology, “chemical reactions” at nano-scale
significantly affect the mechanical property and performance at macro-scale,
therefore the electronic-level control of the chemical reaction is essential
even in heavy and large mechanical systems. Especially, because the functions of
the mechanical systems are generated by “motion”, electronic-level understanding
of the multi-physics phenomena including the “chemical reaction” and “friction,
impact, stress, fluid, electric field, heat etc.” is very important. Therefore,
we thought that the introduction of the quantum chemistry to the mechanical
engineering field is a promising approach thus we have developed a multi-physics
simulator based on quantum chemical molecular dynamics method. Furthermore, we
realized its successful applications to a wide variety of low-carbon mechanical
systems.
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