Optical surface quality and molecular dynamics modelling of ultra-high precision optical silicon machining

Abdulkadir, Lukman Niyi

Title: Optical surface quality and molecular dynamics modelling of ultra-high precision optical silicon machining
Creator: Abdulkadir, Lukman Niyi
Subject: Lasers -- Industrial applications
Subject: Manufacturing processes
Subject: Materials science
Date Issued: 2019-04
Date: 2019-04
Type: Master's theses
Type: text
Identifier: http://hdl.handle.net/10948/66551
Identifier: vital:75600
Description: Hard and brittle materials, such as silicon, silicon carbide etc., are widely used in aerospace, integrated circuit, and other fields due to their excellent physical and chemical properties. However, these materials display poor machinability owing to hardness, brittleness, non-linearity in machining process and complexities in selecting suitable machining parameters and tool geometry. These leads to low quality lenses due to subsurface damage and surface micro-crack. Additionally, it is experimentally very difficult to observe all nanoscale physical phenomena due to in-process measurement problems, inaccessible contact area of tool and workpiece, and the difficulty of surface analysis. With the use of molecular dynamics (MD) which is a comprehensive nanoscale modelling technique, proper selection of process parameters, tool geometry and online monitoring techniques, production of freeform optics is possible through Ultra-high precision diamond turning (UHPDT). Though, depending on view point, machinability in UHPDT may be in terms of tool wear rate, hardness, chip morphology, surface roughness, and other benchmarks. These situations have called for more insights, which on the long run will help to achieve high precision manufacturing with predictability, repeatability, productivity and high infrared (IR) optical quality. In this thesis, UHPDT of monocrystalline silicon at atomistic scale was conducted to investigate combined effects of edge radius, feed rate, cutting speed, depth of cut, rake and clearance angles hitherto not done so far. Using appropriate potential functions with the MD algorithm, comprehensive analysis of thermal effects, diamond tool wear, phase change, cutting forces and machining stresses (normal, shear, hydrostatic and von Mises) were carried out. Dislocation extraction algorithm (DXA) and radial distribution function (RDF) were used to evaluate dislocation nucleation, variations in bond lengths, microstructural transformation and represents structural changes in histogram form. Selected parameters for optical quality surface roughness were afterwards compared and optimized through response surface methodology (RSM) based on Box Behnken (BBD) and Taguchi L9 methods. The results indicated that, silicon atoms in the chip formation zone undergo high pressure phase transformation (HPPT) at high hydrostatic pressure and temperature Silicon microstructure transformed from four-coordinated diamond cubic structure (Si-I) to unstable six-coordinated body-centered tetragonal structure (β-silicon) which then transformed to amorphous silicon atoms (a-Si) through amorphization. These resulted in plastic deformation and defects in the machining zone causing subsurface damage. Stress analysis indicated that the compressive stress in the machining zone (i.e.amorphous region) suppressed crack formation contributing to continuous plastic flow which is responsible for silicon ductile-mode cutting. Furthermore, formation of silicon carbide which constituted diamond wear was observed to be by sp3 - sp2 diamond carbon atom disorder and tribochemistry. The tribochemistry occurred through both multiphase and solid-state single-phase reaction between diamond tool and silicon workpiece at cutting temperatures above and below 959 K. Both the experimental findings and the simulation results reveal that, at edge radius less than uncut chip thickness, tool wear was more of rake wear than flank wear. Tool wear and kinetic friction reduced as the edge radius approached the uncut chip thickness while forces, stresses and SCE increased. When machining silicon at different ratio, silicon stress state, SCE, SSD, forces (reduced with increase in clearance angle), shear plane, chip velocity and chip ratio increased as edge radius and rake angle increased, while, kinetic friction, chip length and thickness reduced. The crystal lattice of the machined surfaces and subsurface deformed layer depth increased with increase in edge radius, feed and rake angle. Amongst all tested and analysed parameters, feed rate had the highest influence on surface quality while depth of cut showed the least. Acoustic emission was also monitored during machining and its results statistically analysed. The trends of the monitored acoustic emissions showed its capability to adequately represent and predict surface roughness results. Based on the developed simulation model a novel method for quantitative assessment of tool wear was proposed. The proposed model can be used to compare tool wear using graphitization and tribochemistry to decide the path and mode of the diamond tool wear. Finally, based on the experiment results and predictive model, a novel combination and hierarchical arrangement of the considered factors capable of suppressing tool wear and improve attainable machined surface roughness when turning hard-to-machine materials was proposed.
Description: Thesis (PhD) -- Faculty of Engineering, the Built Environment, and Technology, School of Engineering, 2019
Format: computer
Format: online resource
Format: application/pdf
Format: 1 online resource (XXX pages)
Format: pdf
Publisher: Nelson Mandela University
Publisher: Faculty of Engineering, the Built Environment, and Technology
Language: English
Rights: Nelson Mandela University
Rights: All Rights Reserved
Rights: Open Access

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