**4. Summary**

We used MD simulation to study the cutting of an Fe single crystal using tools with various rake angles. Focusing on the (110)[001] cut system, we obtained the following findings.


The dependencies were simple as long as cutting was dictated by a single dislocation glide mechanism. For other cut systems, the situation became more complex and could no longer be described in the framework of the single shear cutting model. An example is given in Appendix A.

In future work, it will be interesting to investigate how the cutting depth *d* and the curvature radius *r* of the tool edge influence our conclusions. In applications, these two lengths will be larger than the values adopted in the present study, but may have a similar relation, *d*/*r*, as the one adopted in the present work, where we used *d*/*r* = 5. As long as a single crystalline grain is cut, one could therefore presume that our ideas are relevant; but this hypothesis needs to be further investigated. In particular, experimental verification of our prediction of the effect of the rake angle on the cutting of single crystals would be highly appreciated.

**Author Contributions:** I.A.A. performed the simulations and analyzed the results. I.A.A. and H.M.U. designed the work, discussed the results, and wrote the manuscript. All authors read and agreed to the published version of the manuscript.

**Funding:** This research was funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation), Project Number 172116086–SFB 926.

**Acknowledgments:** Access to the computational resources provided by the compute cluster "Elwetritsch" of the University of Kaiserslautern is appreciated.

**Conflicts of Interest:** The authors declare no conflict of interest.
