Int. J. Computational Materials Science and Surface Engineering, Vol. 9, No. 2, 2020 105 Copyright © 2020 Inderscience Enterprises Ltd. Predictive model for surface accuracy in ultra-high precision single point diamond machining of monocrystalline silicon using RSM and MD Lukman N. Abdulkadir*, Khaled Abou-El-Hossein, Abubakar Ishaq Jumare, Muhammad Mukhtar Liman and Odedeyi Peter Babatunde Precision Engineering Laboratory, Nelson Mandela University, South Africa Email: s215102134@nmmu.ac.za Email: Khaled.Abou-El-Hossein@nmmu.ac.za Email: s214199002@nmmu.ac.za Email: s216651263@nmmu.ac.za Email: s215391292@mandela.ac.za *Corresponding author Abstract: Silicon has enjoyed extensive usage in electronic devices, solar cells and infrared (IR) optics because of its high transmittance at 1.2 to 6.0 μm wavelength range. High quality optical silicon components (Ra less than 8 nm) requires appropriate choice of ductile regime machining cutting conditions that can improve surface roughness and facilitate accurate prediction. To achieve this, three factors, i.e., feed rate, rake angle and nose radius were varied while keeping cutting speed, depth of cut and clearance angle constant. An MD study of the experiment was also carried out for comparison. The result obtained showed that; BBD standard runs 5, 6, 8, 9, and 10 with Ra values between 1.8 and 7 nm are of high form accuracy and satisfied the basic requirement of Ra over the entire IR region for silicon. The MD study was also observed to conform with the Ra result as obtained in the experiment. Keywords: surface roughness; response surface methodology; Box-Behnken; molecular dynamics; subsurface damage. Reference to this paper should be made as follows: Abdulkadir, L.N., Abou-El-Hossein, K., Jumare, A.I., Liman, M.M. and Babatunde, O.P. (2020) ‘Predictive model for surface accuracy in ultra-high precision single point diamond machining of monocrystalline silicon using RSM and MD’, Int. J. Computational Materials Science and Surface Engineering, Vol. 9, No. 2, pp.105–133. Biographical notes: Lukman N. Abdulkadir obtained his Bachelor’s and Master’s in the area of Mechanical Engineering and Production Engineering, respectively from the Abubakar Tafawa Balewa University, Bauchi, Nigeria. He obtained his PhD in Mechatronics Engineering of the Nelson Mandela University in Port Elizabeth. He has published extensively in the field of high