Describing bond-breaking processes by reactive potentials: Importance of an environment-dependent interaction range

By Lars Pastewka, P. Pou, R. Pérez, Peter Gumbsch, M. Moseler. 2008

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Machine Learning a General-Purpose Interatomic Potential for Silicon (2018, methodology): “126 J. Tersoff, Phys.”
Graphitization of amorphous carbons: A comparative study of interatomic potentials (2016, background): “This includes the addition of oxygen [21], the use of an environmentdependent screening function to improve the description of bond making and breaking [23, 25] and the inclusion of charge-equilibration to describe polar bonds [24].”
Atomistic aspects of fracture (2015, methodology): “A similar anisotropy was also found in DFT calculations for diamond (Pastewka et al. 2008) and used as a test to validate simpler semi-empirical bond order potentials.”
Fracture of graphene: a review (2015, background): “dependent interaction range (Pastewka et al. 2008), and SED-REBO (Perriot et al.”