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

Ductile-Regime Machining of Glass Using the Micromilling Process

Glass is a homogeneous material with amorphous crystal structure that is produced through the rapid cooling of its molten state below the glass transition temperature. Glass exhibits many excellent mechanical and physical properties, and it is widely used in automotive, communications, optics, electronics, architectural, and biomedical industries. For certain applications such as DNA microarrays, glass components with microfeatures are typically produced using a combination of photolithography and etching processes, which is generally time consuming and can involve hazardous chemicals. It would be ideal to fabricate some glass devices through mechanical micromachining for some rapid prototyping applications of glass-based devices, but the brittle nature of glass makes machining difficult. The machined surface is usually fractured and requires additional finishing processes that are costly and time consuming. Fortunately, it is found that the glass can be machined in a ductile regime under certain controlled cutting conditions. Machining in the ductile regime can produce continuous cutting chips. For micromilling to be used in the manufacturing of glass-based devices, further machining research is required to find optimum cutting configurations to produce high quality micro-scale features. It is known that the cutting regime transition from brittle to ductile cutting regimes is attributed to the effect of pressure and temperature in the cutting zone. The transition has also been correlated to the undeformed chip thickness. However, the mechanism behind ductile regime machining still cannot be fully explained. In this study, the effect of tilt angle on cutting regime transition has been studied in micromilling crown glass with a micro-ball end mill. Straight glass grooves were machined in a water bath by varying the tool tilt angle and feed rate, and the resulting surface was characterized using a scanning electron microscope and a profilometer to investigate the cutting regime transition. In characterizing the cutting regimes in glass micromilling, rubbing, ductile machining, and brittle machining regimes are hypothesized according to the undeformed chip thickness. In addition, mechanistic stress and temperature models are used in conjunction with experimental data to predict the stress and temperature information in glass micromilling in order to provide insight into why ductile machining happens. For the conditions investigated in this study, a 45¡ tool tilt angle was found to produce the highest ductile machining-related feed rate, 0.32 mm/min, and the best surface finish (less than 60 nm Ra) for feed rates less than 0.32 mm/min. The specific cutting energy relationship is determined based on the experimental force data and the effective undeformed chip thickness, which is derived based on the surface roughness measurements. The predicted stresses indicate that the 45¡ tilt angle easily leads to ductile cutting by increasing the glass fracture toughness while comparing with the performance under the other tilt angles (0¡, 15¡, 30¡, 60¡). The temperature rise is estimated negligible under the investigated micromilling conditions. This study offers a better understanding in optimizing the glass micromilling process, and it is expected that the occurrence of the glass ductile-brittle cutting regime transition will be elucidated based on the advances in glass material properties understanding and milling process modeling

Engineered Surface Properties of Porous Tungsten from Cryogenic Machining

Porous tungsten is used to manufacture dispenser cathodes due to it refractory properties. Surface porosity is critical to functional performance of dispenser cathodes because it allows for an impregnated ceramic compound to migrate to the emitting surface, lowering its work function. Likewise, surface roughness is important because it is necessary to ensure uniform wetting of the molten impregnate during high temperature service. Current industry practice to achieve surface roughness and surface porosity requirements involves the use of a plastic infiltrant during machining. After machining, the infiltrant is baked and the cathode pellet is impregnated. In this context, cryogenic machining is investigated as a substitutionary process for the current plastic infiltration process. Along with significant reductions in cycle time and resource use, surface quality of cryogenically machined un-infiltrated (as-sintered) porous tungsten has been shown to significantly outperform dry machining. The present study is focused on examining the relationship between machining parameters and cooling condition on the as-machined surface integrity of porous tungsten. The effects of cryogenic pre-cooling, rake angle, cutting speed, depth of cut and feed are all taken into consideration with respect to machining-induced surface morphology. Cermet and Polycrystalline diamond (PCD) cutting tools are used to develop high performance cryogenic machining of porous tungsten. Dry and pre-heated machining were investigated as a means to allow for ductile mode machining, yet severe tool-wear and undesirable smearing limited the feasibility of these approaches. By using modified PCD cutting tools, high speed machining of porous tungsten at cutting speeds up to 400 m/min is achieved for the first time. Beyond a critical speed, brittle fracture and built-up edge are eliminated as the result of a brittle to ductile transition. A model of critical chip thickness (hc) effects based on cutting force, temperature and surface roughness data is developed and used to study the deformation mechanisms of porous tungsten under different machining conditions. It is found that when hmax = hc, ductile mode machining of otherwise highly brittle porous tungsten is possible. The value of hc is approximately the same as the average ligament size of the 80% density porous tungsten workpiece

Fundamental investigations of cutting of silicon for photovoltaic applications

Crystalline silicon (Si) wafers used as substrates in the semiconductor and photovoltaic (PV) industries are traditionally manufactured using a multi-wire slurry sawing (MWSS) technique. Due to its high productivity potential, the fixed abrasive diamond wire sawing (DWS) technique is of considerable interest to Si wafer producers. Although both sawing techniques are currently used in the industry, a fundamental understanding of the underlying process is still lacking, particularly for diamond wire sawing. Consequently, optimization of the wire sawing process is carried out largely based on experience and trial and error. This thesis aims to develop a systematic fundamental understanding of diamond wire sawing of Si materials used for PV applications. First of all, a comparative analysis of the characteristics of silicon wafers cut by slurry and fixed abrasive diamond wire sawing is presented. The analysis results indicate that fixed abrasive diamond wire sawing may be a viable alternative to slurry wire sawing. Modeling and experimental studies of single grit diamond scribing of Si are proposed to shed light on the basic cutting mechanisms. Although Si is brittle at room temperature, it is possible to properly control the cutting conditions to obtain a completely ductile mode of material removal. The effects of material anisotropy, abrasive grit shape, friction condition and external hydrostatic pressure on the ductile-to-brittle mode transition in cutting of single crystal Si (sc-Si) are systematically investigated. Multicrystalline Si (mc-Si) based solar cells take up the majority of the global PV market. Hard inclusions (Silicon carbide and Silicon nitride) in multicrystalline Si (mc-Si) ingots may cause wire breakage and negatively impact the process, surface/subsurface morphology and mechanical properties of the resulting wafer. Their effects are experimentally studied through the single grit diamond scribing on the mc-Si sample with high density of inclusions. Finally, it is identified that there is a correlation between the high dislocation density and the increase of fracture toughness in mc-Si. The increase in fracture toughness leads to greater capability of ductile mode of cutting and higher specific scribing energy in the brittle fracture regime. Results of these fundamental investigations are expected to generate useful knowledge for optimizing the diamond wire sawing process in order to achieve high productivity and minimum surface/subsurface damage.PhDCommittee Chair: Shreyes Melkote; Committee Member: Jianjun Shi; Committee Member: Naresh Thadhani; Committee Member: Steven Danyluk; Committee Member: Steven Lian

Predictive Modeling for Ductile Machining of Brittle Materials

Brittle materials such as silicon, germanium, glass and ceramics are widely used in semiconductor, optical, micro-electronics and various other fields. Traditionally, grinding, polishing and lapping have been employed to achieve high tolerance in surface texture of silicon wafers in semiconductor applications, lenses for optical instruments etc. The conventional machining processes such as single point turning and milling are not conducive to brittle materials as they produce discontinuous chips owing to brittle failure at the shear plane before any tangible plastic flow occurs. In order to improve surface finish on machined brittle materials, ductile regime machining is being extensively studied lately. The process of machining brittle materials where the material is removed by plastic flow, thus leaving a crack free surface is known as ductile-regime machining. Ductile machining of brittle materials can produce surfaces of very high quality comparable with processes such as polishing, lapping etc. The objective of this project is to develop a comprehensive predictive model for ductile machining of brittle materials. The model would predict the critical undeformed chip thickness required to achieve ductile-regime machining. The input to the model includes tool geometry, workpiece material properties and machining process parameters. The fact that the scale of ductile regime machining is very small leads to a number of factors assuming significance which would otherwise be neglected. The effects of tool edge radius, grain size, grain boundaries, crystal orientation etc. are studied so as to make better predictions of forces and hence the critical undeformed chip thickness. The model is validated using a series of experiments with varying materials and cutting conditions. This research would aid in predicting forces and undeformed chip thickness values for micro-machining brittle materials given their material properties and process conditions. The output could be used to machine brittle materials without fracture and hence preserve their surface texture quality. The need for resorting to experimental trial and error is greatly reduced as the critical parameter, namely undeformed chip thickness, is predicted using this approach. This can in turn pave way for brittle materials to be utilized in a variety of applications.Ph.D.Committee Chair: Liang, Steven; Committee Co-Chair: Li, Xiaoping; Committee Member: Garmestani, Hamid; Committee Member: Griffin, Paul; Committee Member: Melkote, Shreyes; Committee Member: Neu, Richar

Numerical Modeling of Rock Drilling With Finite Elements

Rock drilling is the process employed to retrieve both the conventional and the unconventional resources, such as gas and oil buried deep under the ground. This study attempts to improve the understanding of the interaction between the drilling bit and rock by investigating the mechanics involved. In terms of achieving such a goal, a numerical modeling, if successful, can provide insights that are not possible through either field tests or laboratory experiments. When the cutting depth progresses from shallow to deep, there is a failure mode transition from ductile to brittle, and a critical depth that governs this transition. This study introduced Bažant’s simple size effect law into interpreting the transition process of rock cutting. By treating the cutting depth as a measure of size, the law was found applied well to rock cutting based upon the data available in the literature, and the Finite Element Method (FEM) modeling results. By introducing the concept of characteristic length, this study also reinterpreted the previous understanding of the critical depth in rock cutting, by introducing the concept of characteristic length, and obtained the influence of characteristic length on critical depth through numerical modeling. The Mechanical Specific Energy (MSE) and the Rate of Penetration (ROP) are two key factors for evaluating the efficiency of a drilling process and together they form a good base for strategizing a desirable drilling operation. In the absence of cutter wear rate, a relationship between MSE and ROP for a rectangular cutter has previously been suggested. This study presented a simple model for a circular cutter that includes the wear progression, which could explain the laboratory result of cutting high strength rock under high pressure. The operation of a drilling bit in the field is mainly achieved through circular cutting action. This study extended the previous efforts and modeled first the circular cutting of a single disc cutter. This effort then formed the basis of a full drilling bit modeling presented at the end

Ultra-high precision grinding of BK7 glass

With the increase in the application of ultra-precision manufactured parts and the absence of much participation of researchers in ultra-high precision grinding of optical glasses which has a high rate of demand in the industries, it becomes imperative to garner a full understanding of the production of these precision optics using the above-listed technology. Single point inclined axes grinding configuration and Box-Behnken experimental design was developed and applied to the ultra-high precision grinding of BK7 glass. A high sampling acoustic emission monitoring system was implemented to monitor the process. The research tends to monitor the ultra-high precision grinding of BK7 glass using acoustic emission which has proven to be an effective sensing technique to monitor grinding processes. Response surface methodology was adopted to analyze the effect of the interaction between the machining parameters: feed, speed, depth of cut and the generated surface roughness. Furthermore, back propagation Artificial Neural Network was also implemented through careful feature extraction and selection process. The proposed models are aimed at creating a database guide to the ultra-high precision grinding of precision optics

Design of ultraprecision machine tools with application to manufacturing of miniature and micro components

Currently the underlying necessities for predictability, producibility and productivity remain big issues in ultraprecision machining of miniature/microproducts. The demand on rapid and economic fabrication of miniature/microproducts with complex shapes has also made new challenges for ultraprecision machine tool design. In this paper the design for an ultraprecision machine tool is introduced by describing its key machine elements and machine tool design procedures. The focus is on the review and assessment of the state-of-the-art ultraprecision machining tools. It also illustrates the application promise of miniature/microproducts. The trends on machine tool development, tooling, workpiece material and machining processes are pointed out