**Journal of Theoretical**

and Applied Mechanics

and Applied Mechanics

**56**, 3, pp. 601-614, Warsaw 2018

DOI: 10.15632/jtam-pl.56.3.601

### Coarse-graining models for molecular dynamics simulations of FCC metals

simulations of FCC metals. To this aim, at first, a proper map between beads of the

CG models and atoms of the all-atom (AA) system is assigned, afterwards mass of the beads

and the parameters of the CG models are determined in a manner that the CG models and

the original all-atom model have the same physical properties. To evaluate and compare

precision of these four CG models, different static and dynamic simulations are conducted.

The results show that these CG models are at least 4 times faster than the AA model, while

their errors are less than 1 percent.

*Keywords*: accelerated molecular dynamics, coarse-grain models, FCC metals, EAM potential

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