  Currently, Si vacancy ($\mathrm{V}_\mathrm{Si}$) color centers in SiC are of
significant interest due to their potential applications in quantum sensing and
quantum communication. Meanwhile, the qualities of laser-induced color centers
are well guaranteed. Femtosecond laser processing suffices for increasing the
yield of $\mathrm{V}_\mathrm{Si}$ color centers in bulk materials and forms
crater-shaped enriched regions on the surface. However, there is a notable
absence of existing simulation methods to explain the mechanisms behind
laser-assisted $\mathrm{V}_\mathrm{Si}$ color center generation. In this work,
we design a three-dimensional molecular dynamics (3D-MD) model using an
integral hemi-ellipsoidal shell mathematical model to simulate the interaction
of Gaussian laser beams with bulk materials. Furthermore, we calculate the
transmittance, absorption coefficient, refractive index, and reflectivity of
$4H$-SiC. Then, the absorptance of a 1030 nm laser in 350 {\mu}m-thick $4H$-SiC
material is abtained to simulate the energy loss during the actual processing.
Finally, the study analyzes the movement trajectories of
$\mathrm{V}_\mathrm{Si}$ color centers and explains the source of
$\mathrm{V}_\mathrm{Si}$ on the surface. This analysis explains the reasons for
the enrichment of color centers in the crater-shaped regions formed after laser
deposition. Our work provides an effective 3D-MD modeling approach to study the
processing mechanisms of laser interaction with semiconductor materials,
offering insights into efficient $\mathrm{V}_\mathrm{Si}$ color center creation
processes.
