An atomistic investigation on the nanometric cutting mechanism of hard, brittle materials

The demand for ultra precision machined devices and components is growing at a rapid pace in various areas such as the aerospace, energy, optical, electronics and bio-medical industries. Because of their outstanding engineering properties such as high refractive index, wide energy bandgap and low mass density, there is a continuing requirement for developments in manufacturing methods for hard, brittle materials. Accordingly, an assessment of the nanometric cutting of the optical materials silicon and silicon carbide (SiC), which are ostensibly hard and brittle, has been undertaken. Using an approach of parallel molecular dynamics simulations with a three-body potential energy function combined with experimental characterization, this thesis provides a quantitative understanding of the ductile-regime machining of silicon and SiC (polytypes: 3C, 4H and 6H SiC), and the mechanism by which a diamond tool wears during the process. The distinctive MD algorithm developed in this work provides a comprehensive analysis of thermal effects, high pressure phase transformation, tool wear (both chemical and abrasive), influence of crystal anisotropy, cutting forces and machining stresses (hydrostatic and von Mises), hitherto not done so far. The calculated stress state in the cutting zone during nanometric cutting of single crystal silicon indicated Herzfeld–Mott transition (metallization) due to high pressure phase transformation (HPPT) of silicon under the influence of deviatoric stress conditions. Consequently, the transformation of pristine silicon to β-silicon (Si-II) was found to be the likely reason for the observed ductility of bulk silicon during its nanoscale cutting. Tribochemical formation of silicon carbide through a solid state single phase reaction between the diamond tool and silicon workpiece in tandem with sp3-sp2 disorder of carbon atoms from the diamond tool up to a cutting temperature of 959 K has been suggested as the most likely mechanism through which a diamond cutting tool wears while cutting silicon. The recently developed dislocation extraction algorithm (DXA) was employed to detect the nucleation of dislocations in the MD simulations of varying cutting orientation and cutting direction. Interestingly, despite of being a compound of silicon and carbon, silicon carbide (SiC) exhibited characteristics more like diamond, e.g. both SiC iii workpiece and diamond cutting tool were found to undergo sp3-sp2 transition during the nanometric cutting of single crystal SiC. Also, cleavage was found to be the dominant mechanism of material removal on the (111) crystal orientation. Based on the overall analysis, it was found that 3C-SiC offers ease of deformation on either (111) , (110) or (100) setups. The simulated orthogonal components of thrust force in 3C-SiC showed a variation of up to 45% while the resultant cutting forces showed a variation of 37% suggesting that 3C-SiC is anisotropic in its ease of deformation. The simulation results for three major polytypes of SiC and for silicon indicated that 4H-SiC would produce the best sub-surface integrity followed by 3C-SiC, silicon and 6H-SiC. While, silicon and SiC were found to undergo HPPT which governs the ductility in these hard, brittle materials, corresponding evidence of HPPT during the SPDT of polycrystalline reaction bonded SiC (RB-SiC) was not observed. It was found that, since the grain orientation changes from one crystal to another in polycrystalline SiC, the cutting tool experiences work material with different crystallographic orientations and directions of cutting. Thus, some of the grain boundaries cause the individual grains to slide along the easy cleavage direction. Consequently, the cutting chips in RB-SiC are not deformed by plastic mechanisms alone, but rather a combination of phase transformation at the grain boundaries and cleavage of the grains both proceed in tandem. Also, the specific-cutting energy required to machine polycrystalline SiC was found to be lower than that required to machine single crystal SiC. Correspondingly, a relatively inferior machined surface finish is expected with a polycrystalline SiC. Based on the simulation model developed, a novel method has been proposed for the quantitative assessment of tool wear from the MD simulations. This model can be utilized for the comparison of tool wear for various simulation studies concerning graphitization of diamond tools. Finally, based on the theoretical simulation results, a novel method of machining is proposed to suppress tool wear and to obtain a better quality of the machined surface during machining of difficult-to-machine materials

A simulated investigation of ductile response of GaAs in single point diamond turning and experimental validation

In this paper, molecular dynamic (MD) simulation was adopted to study the ductile response of single-crystal GaAs during single-point diamond turning (SPDT). The variations of cutting temperature, coordination number, and cutting forces were revealed through MD simulations. SPDT experiment was also carried out to qualitatively validate MD simulation model from the aspects of normal cutting force. The simulation results show that the fundamental reason for ductile response of GaAs during SPDT is phase transition from a perfect zinc blende structure (GaAs-I) to a rock-salt structure (GaAs-II) under high pressure. Finally, a strong anisotropic machinability of GaAs was also found through MD simulations

An investigation on micro cutting mechanics: Modelling, simulations and experimental case studies

This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University London.Micro cutting is becoming increasingly important since miniature and micro components/products have become more and more demanded in precision engineering applications and consumer goods in a daily life. Meanwhile, it has not been thoroughly investigated yet. Scientific understanding of the fundamentals in micro cutting mechanics and physics is vital for micro manufacturing of micro or miniature components and products. Consequently, the scientific investigation on micro cutting mechanics is critically needed, particularly on its key fundamental aspects on which a systematic approach and key enabling technologies are developed for micro manufacturing. Therefore, three key fundamental aspects of micro cutting mechanics have been identified for this PhD project and a comprehensive systematic research has been performed through both theoretical and experiment-based investigations. The three aspects of micro cutting mechanics mainly include dynamic stiffness investigation, innovative micro cutting force modelling, and the study on micro cutting heat, temperature and their partitioned distribution. All experiment-based investigations are undertaken on a diamond turning machine test rig supported with a fast tool servo (FTS) using different reconfigured experimental setups. The finite element (FE)-based analysis is conducted to further support the in-depth analysis on the micro cutting phenomena especially the modelling and simulation of micro cutting force and temperature. Accordingly, both micro cutting force modelling and micro cutting temperature are investigated using modelling and simulation supported by well-designed experimental cutting trials and validations.The investigation on dynamic stiffness in the micro cutting system is focused on its effects on the micro cutting process and its control strategies. The burrs formation and machining accuracy are explored in relation with control of the dynamic stiffness. Furthermore, the control algorithm for dynamic stiffness is developed accordingly in order to minimise burrs formation and stabilize the micro cutting accuracy.The micro cutting force modelling is performed based on specific cutting force, i.e. modelling the cutting force at the unit cutting length or area as coined as the amplitude aspect of the proposed cutting force modelling. The cutting force against a dynamically varied cutting time interval is proposed as the spatial aspect of the cutting force formulation. The amplitude aspect can provide the insight into the micro cutting phenomena particularly in relation with the chip formation and size-effects. The spatial aspect, using a on the wavelet transform (WT) technique and standard deviation analysis can render the dynamic behaviour of the micro cutting force, particularly representing the dynamic effects of the cutting process and its correlation with tool wear.The micro cutting temperature is investigated to formulate the scientific understanding of cutting temperature, heat and their partitioned distribution particularly at the tool-workpiece-chip interface zone in ultraprecision and micro cutting using a diamond cutting tool. The contribution to knowledge at this aspect is to represent the partitioned cutting heat in the micro cutting process and their different behaviours compared to the conventional metal cutting. The scientific approach to modelling micro cutting application (MMCA), i.e. based on modelling-simulation combined with experimental validation, is further evaluated and validated to illustrate the overall benefits of this research investigation through micro cutting of single crystal silicon (for ultraprecision machining of large-sized infrared devices). This approach is established in light of combining all the three aspects of the above investigation on micro cutting mechanics. The research results show the approach can lead to industrial scale advantages for ultraprecision and micro cutting but driven by the scientific understanding of micro manufacturing technology. The systematic investigation on dynamic stiffness control, micro cutting force modelling, micro cutting heat and temperature and their integrated approach can contribute well to the future micro cutting applications

Micromachining

To present their work in the field of micromachining, researchers from distant parts of the world have joined their efforts and contributed their ideas according to their interest and engagement. Their articles will give you the opportunity to understand the concepts of micromachining of advanced materials. Surface texturing using pico- and femto-second laser micromachining is presented, as well as the silicon-based micromachining process for flexible electronics. You can learn about the CMOS compatible wet bulk micromachining process for MEMS applications and the physical process and plasma parameters in a radio frequency hybrid plasma system for thin-film production with ion assistance. Last but not least, study on the specific coefficient in the micromachining process and multiscale simulation of influence of surface defects on nanoindentation using quasi-continuum method provides us with an insight in modelling and the simulation of micromachining processes. The editors hope that this book will allow both professionals and readers not involved in the immediate field to understand and enjoy the topic

Three-Dimensional MOS Process Development

A novel MOS technology for three-dimensional integration of electronic circuits on silicon substrates was developed. Selective epitaxial growth and epitaxial lateral overgrowth of monocrystalline silicon over oxidized silicon were employed to create locally restricted silicon-on-insulator device islands. Thin gate oxides were discovered to deteriorate in ambients typically used for selective epitaxial growth. Conditions of general applicability to silicon epitaxy systems were determined under which this deterioration was greatly reduced. Selective epitaxial growth needed to be carried out at low temperatures. However, crystalline defects increase as deposition temperatures are decreased. An exact dependence between the residual moisture content in epitaxial growth ambients, deposition pressure, and deposition temperature was determined which is also generally applicable to silicon epitaxy systems. The dependences of growth rates and growth rate uniformity on loading, temperature, flow rates, gas composition, and masking oxide thickness were investigated for a pancake type epitaxy reactor. A conceptual model was discussed attempting to describe the effects peculiar to selective epitaxial growth. The newly developed processing steps were assembled to fabricate three dimensional silicon-on-insulator capacitors. These capacitors were electrically evaluated. Surface state densities were in the order of 1O11cm-2 eV-1 and therefore within the range of applicability for a practical CMOS process. Oxidized polysilicon gates were overgrown with silicon by epitaxial lateral overgrowth. The epitaxial silicon was planarized and source and drain regions were formed above the polysilicon gates in Silicon-on-insulator material. The modulation of the source-drain current by bias changes of the buried gate was demonstrated

An investigation of mechanics in nanomachining of Gallium Arsenide

The first two decades of the 21st Century have seen a wide exploitation of Gallium Arsenide (GaAs) in photoemitter device, microwave devices, hall element, solar cell, wireless communication as well as quantum computation device due to its superior material properties, such as higher temperature resistance, higher electronic mobility and energy gap that outperforms silicon. Ultra-precision multiplex two dimensional (2D) or three dimensional (3D) free-form nanostructures are often required on GaAs-based devices, such as radio frequency power amplifiers and switches used in the 5G smart mobile wireless communication. However, GaAs is extremely difficult to machine as its elastic modulus, Knoop hardness and fracture toughness are lower than other semiconductor materials such as silicon and germanium. This PhD thesis investigated the mechanics of nanomachining of GaAs through molecular dynamics (MD) simulation combined with single point diamond turning (SPDT) and atomic force microscope (AFM) based experimental characterization in order to realise ductile-regime nanomachining of GaAs, which is the most important motivation behind this thesis. The investigation of mechanics of nanomachining of GaAs included studies on cutting temperature, cutting forces, origin ductile plasticity, atomic scale friction, formation mechanism of sub-surface damage, wear mechanism of diamond cutting tool. Machinability of GaAs at elevated temperature was also studied in order to develop thermally-assisted nanomachining process in the future to facilitate plastic material deformation and removal. This thesis contributed to address the knowledge gaps such as what is the incipient plasticity, how does the sub-surface damage form and how does the diamond cutting tool wear during nanomachining of GaAs. Firstly, this thesis investigated the cutting zone temperature, cutting forces and origin of plasticity of GaAs material, including single crystal GaAs and polycrystalline GaAs during SPDT process. The experimental and MD simulation study showed GaAs has a strong anisotropic machinability. The simulation results indicated that the deformation of polycrystalline GaAs is accompanied by dislocation nucleation in the grain boundaries (GBs) leading to the initiation of plastic deformation. Furthermore, the 1/2 is the main type of dislocation responsible for ductile plasticity in polycrystalline GaAs. A phenomenon of fluctuation from wave crests to wave troughs in the cutting forces was only observed during cutting of polycrystalline GaAs, not for single-crystal GaAs. Secondly, this thesis studied the atomic scale friction during AFM-based nanomachining process. a strong size effect was observed when the scratch depths are below 2 nm in MD simulations and 15 nm from the AFM experiments respectively. A strong quantitative corroboration was obtained between the MD simulations and the AFM experiments in the specific scratch energy and more qualitative corroboration with the pile up and the kinetic coefficient of friction. This conclusion suggested that the specific scratch energy is insensitive to the tool geometry and the speed of scratch used in this investigation but the pile up and kinetic coefficient of friction are dependent on the geometry of the tool tip. Thirdly, this thesis investigated formation mechanism of sub-surface damage and wear mechanism of diamond cutting tool during nanomachining of GaAs. Transmission Electron Microscope (TEM) measurement of sub-surface of machined nanogrooves on GaAs and MD simulation of dislocation movement indicated the dual slip mechanisms i.e. shuffle-set slip mechanism and glide-set slip mechanism, and the creation of dislocation loops, multi dislocation nodes, and dislocation junctions governed the formation mechanism of sub-surface damage of GaAs during nanomachining process. Elastic-plastic deformation at the apex of the diamond tip was observed in MD simulations. Meanwhile, a transition of the diamond tip from its initial cubic diamond lattice structure sp3 hybridization to graphite lattice structure sp2 hybridization was revealed. Graphitization was, therefore, found to be the dominant wear mechanism of the diamond tip during nanometric cutting of single crystal GaAs. Finally, in MD simulations study of cutting performance at elevated temperature, hotter conditions resulted in the reduction of cutting forces by 25% however, the kinetic coefficient of friction went up by about 8%. While material removal rate was found to increase with the increase of the substrate temperature, it was accompanied by an increase of the sub-surface damage in the substrate. Moreover, a phenomenon of chip densification was found to occur during hot cutting which referred to the fact that the amorphous cutting chips obtained from cutting at low temperature will have lower density than the chips obtained from cutting at higher temperatures.The first two decades of the 21st Century have seen a wide exploitation of Gallium Arsenide (GaAs) in photoemitter device, microwave devices, hall element, solar cell, wireless communication as well as quantum computation device due to its superior material properties, such as higher temperature resistance, higher electronic mobility and energy gap that outperforms silicon. Ultra-precision multiplex two dimensional (2D) or three dimensional (3D) free-form nanostructures are often required on GaAs-based devices, such as radio frequency power amplifiers and switches used in the 5G smart mobile wireless communication. However, GaAs is extremely difficult to machine as its elastic modulus, Knoop hardness and fracture toughness are lower than other semiconductor materials such as silicon and germanium. This PhD thesis investigated the mechanics of nanomachining of GaAs through molecular dynamics (MD) simulation combined with single point diamond turning (SPDT) and atomic force microscope (AFM) based experimental characterization in order to realise ductile-regime nanomachining of GaAs, which is the most important motivation behind this thesis. The investigation of mechanics of nanomachining of GaAs included studies on cutting temperature, cutting forces, origin ductile plasticity, atomic scale friction, formation mechanism of sub-surface damage, wear mechanism of diamond cutting tool. Machinability of GaAs at elevated temperature was also studied in order to develop thermally-assisted nanomachining process in the future to facilitate plastic material deformation and removal. This thesis contributed to address the knowledge gaps such as what is the incipient plasticity, how does the sub-surface damage form and how does the diamond cutting tool wear during nanomachining of GaAs. Firstly, this thesis investigated the cutting zone temperature, cutting forces and origin of plasticity of GaAs material, including single crystal GaAs and polycrystalline GaAs during SPDT process. The experimental and MD simulation study showed GaAs has a strong anisotropic machinability. The simulation results indicated that the deformation of polycrystalline GaAs is accompanied by dislocation nucleation in the grain boundaries (GBs) leading to the initiation of plastic deformation. Furthermore, the 1/2 is the main type of dislocation responsible for ductile plasticity in polycrystalline GaAs. A phenomenon of fluctuation from wave crests to wave troughs in the cutting forces was only observed during cutting of polycrystalline GaAs, not for single-crystal GaAs. Secondly, this thesis studied the atomic scale friction during AFM-based nanomachining process. a strong size effect was observed when the scratch depths are below 2 nm in MD simulations and 15 nm from the AFM experiments respectively. A strong quantitative corroboration was obtained between the MD simulations and the AFM experiments in the specific scratch energy and more qualitative corroboration with the pile up and the kinetic coefficient of friction. This conclusion suggested that the specific scratch energy is insensitive to the tool geometry and the speed of scratch used in this investigation but the pile up and kinetic coefficient of friction are dependent on the geometry of the tool tip. Thirdly, this thesis investigated formation mechanism of sub-surface damage and wear mechanism of diamond cutting tool during nanomachining of GaAs. Transmission Electron Microscope (TEM) measurement of sub-surface of machined nanogrooves on GaAs and MD simulation of dislocation movement indicated the dual slip mechanisms i.e. shuffle-set slip mechanism and glide-set slip mechanism, and the creation of dislocation loops, multi dislocation nodes, and dislocation junctions governed the formation mechanism of sub-surface damage of GaAs during nanomachining process. Elastic-plastic deformation at the apex of the diamond tip was observed in MD simulations. Meanwhile, a transition of the diamond tip from its initial cubic diamond lattice structure sp3 hybridization to graphite lattice structure sp2 hybridization was revealed. Graphitization was, therefore, found to be the dominant wear mechanism of the diamond tip during nanometric cutting of single crystal GaAs. Finally, in MD simulations study of cutting performance at elevated temperature, hotter conditions resulted in the reduction of cutting forces by 25% however, the kinetic coefficient of friction went up by about 8%. While material removal rate was found to increase with the increase of the substrate temperature, it was accompanied by an increase of the sub-surface damage in the substrate. Moreover, a phenomenon of chip densification was found to occur during hot cutting which referred to the fact that the amorphous cutting chips obtained from cutting at low temperature will have lower density than the chips obtained from cutting at higher temperatures

Integration of Bulk Piezoelectric Materials into Microsystems.

Bulk piezoelectric ceramics, compared to deposited piezoelectric thin-films, provide greater electromechanical coupling and charge capacity, which are highly desirable in many MEMS applications. In this thesis, a technology platform is developed for wafer-level integration of bulk piezoelectric substrates on silicon, with a final film thickness of 5-100μm. The characterized processes include reliable low-temperature (200˚C) AuIn diffusion bonding and parylene bonding of bulk-PZT on silicon, wafer-level lapping of bulk-PZT with high-uniformity (±0.5μm), and low-damage micro-machining of PZT films via dicing-saw patterning, laser ablation, and wet-etching. Preservation of ferroelectric and piezoelectric properties is confirmed with hysteresis and piezo-response measurements. The introduced technology offers higher material quality and unique advantages in fabrication flexibility over existing piezoelectric film deposition methods. In order to confirm the preserved bulk properties in the final film, diaphragm and cantilever beam actuators operating in the transverse-mode are designed, fabricated and tested. The diaphragm structure and electrode shapes/sizes are optimized for maximum deflection through finite-element simulations. During tests of fabricated devices, greater than 12μmPP displacement is obtained by actuation of a 1mm2 diaphragm at 111kHz with <7mW power consumption. The close match between test data and simulation results suggests that the piezoelectric properties of bulk-PZT5A are mostly preserved without any necessity of repolarization. Three generations of resonant vibration energy harvesters are designed, simulated and fabricated to demonstrate the competitive performance of the new fabrication process over traditional piezoelectric deposition systems. An unpackaged PZT/Si unimorph harvester with 27mm3 active device volume produces up to 205μW at 1.5g/154Hz. The prototypes have achieved the highest figure-of-merits (normalized-power-density × bandwidth) amongst previously reported inertial energy harvesters. The fabricated energy harvester is utilized to create an autonomous energy generation platform in 0.3cm3 by system-level integration of a 50-80% efficient power management IC, which incorporates a supply-independent bias circuitry, an active diode for low-dropout rectification, a bias-flip system for higher efficiency, and a trickle battery charger. The overall system does not require a pre-charged battery, and has power consumption of <1μW in active-mode (measured) and <5pA in sleep-mode (simulated). Under 1g vibration at 155Hz, a 70mF ultra-capacitor is charged from 0V to 1.85V in 50 minutes.Ph.D.Electrical EngineeringUniversity of Michigan, Horace H. Rackham School of Graduate Studieshttp://deepblue.lib.umich.edu/bitstream/2027.42/91479/1/aktakka_3.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/91479/2/aktakka_2.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/91479/3/aktakka_1.pd