Modeling and simulation of surface profile forming process of microlenses and their application in optical interconnection devices

Free space micro-optical systems require to integrate microlens array, micromirrors, optical waveguides, beam splitter, etc. on a single substrate. Out-of-plane microlens array fabricated by direct lithography provides pre-alignment during mask fabrication stage and has the advantage of mass manufacturing at low cost. However, this technology requires precise control of the surface profile of microlenses, which is a major technical challenge. The quality control of the surface profile of microlenses limits their applications. In this dissertation, the surface forming process of the out-of-plane microlenses in UV-lithography fabrication was modeled and simulated using a simplified cellular automata model. The microlens array was integrated with micromirrors on a single silicon substrate to form a free space interconnect system. The main contributions of this dissertation include: (1) The influences of different processing parameters on the final surface profiles of microlenses were thoroughly analyzed and discussed. A photoresist etching model based on a simplified cellular automata algorithm was established and tested. The forming process and mechanism of the microlens surface profile were explained based on the established model. (2) Microlens arrays with different parameters were designed, fabricated, and tested. The experiment results were compared with the simulation results. The possible causes for the deviation were discussed. (3) A microlens array based beam relay for optical interconnection application was proposed. A sequence of identical microlens array was fabricated on a single silicon substrate simultaneously and its optical performance was tested. A fast replication method for the microlens optical interconnects using PDMS and UV curable polymer was developed. A selective deposition method of micro-optical elements using PDMS ‘lift-off’ technique was realized. No shadow mask was needed during deposition process. With the continuous advances in the integration of micro-optical systems, direct lithography of micro-optical elements will be a potential technology to provide both precision alignment and low cost in manufacturing process. Microlenses and microlens array with precisely controlled surface profiles will be an important part in the micro-optical system

Sub-50nm x-ray lithography with application to a coupled quantum dot device

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1998.Includes bibliographical references (p. 214-231).by David John Donat Carter.Ph.D

Colorectal Cancer Through Simulation and Experiment

Colorectal cancer has continued to generate a huge amount of research interest over several decades, forming a canonical example of tumourigenesis since its use in Fearon and Vogelstein’s linear model of genetic mutation. Over time, the field has witnessed a transition from solely experimental work to the inclusion of mathematical biology and computer-based modelling. The fusion of these disciplines has the potential to provide valuable insights into oncologic processes, but also presents the challenge of uniting many diverse perspectives. Furthermore, the cancer cell phenotype defined by the ‘Hallmarks of Cancer’ has been extended in recent times and provides an excellent basis for future research. We present a timely summary of the literature relating to colorectal cancer, addressing the traditional experimental findings, summarising the key mathematical and computational approaches, and emphasising the role of the Hallmarks in current and future developments. We conclude with a discussion of interdisciplinary work, outlining areas of experimental interest which would benefit from the insight that mathematical and computational modelling can provide

Potential field theory and its applications to classical mechanical problems

Advances in many scientific fields are expected to come from work in nanotechnology. Engineering at nano-scales presents novel problems that classical mechanics cannot solve. Many engineers are uncomfortable designing at this level because classical or continuum mechanics does not apply and quantum mechanics is said to apply in a tangible way. There are unique opportunities to contribute to the design, controls, and analysis of systems that are particularly suited to mechanical engineering. Within the derivations of classical mechanics are assumptions that limit its use to bulk engineering. These assumptions are examined to determine what principles can be extended to smaller scales. To allow engineers to do their job at these scales, it is necessary to understand strength and how changing scales affects the strength of material this leads directly to sets of variables necessary for engineering at any scale. Potential field theory is an old method that is experiencing a resurgence of interest. Potential fields are used to study quantum mechanics at the atomic scale, crack and dislocation mobility at the micro-scale, and even bulk analysis. It encompasses many problems that can be formulated using partial differential equations. These series solutions are well suited for computerized numerical approximation. Because of recent advances in computational abilities, potential field theory deserves a fresh look as a candidate for multiscale modeling and as the math that binds each level together

Predictive Modelling of Tribological Systems using Movable Cellular Automata

In the science of tribology, where there is an enormous degree of uncertainty, mathematical models that convey state-of-the-art scientific knowledge are invaluable tools for unveiling the underlying phenomena. A well-structured modelling framework that guarantees a connection between mathematical representations and experimental observations, can help in the systematic identification of the most realistic hypotheses among a pool of possibilities. This thesis is concerned with identifying the most appropriate computational model for the prediction of friction and wear in tribological applications, and the development of a predictive model and simulation tool based on the identified method. Accordingly, a thorough review of the literature has been conducted to find the most appropriate approach for predicting friction and wear using computer simulations, with the multi-scale approach in mind. It was concluded that the Movable Cellular Automata (MCA) method is the most suitable method for multi-scale modelling of tribological systems. It has been established from the state-of-the-art review in Chapter 2 of this thesis, that it is essential to be able to model continuous as well as discontinuous behaviour of materials on a range of scales from atomistic to micro scales to be able to simulate the first-bodies and third body simultaneously (also known as a multi-body) in a tribological system. This can only be done using a multi-scale particle-based method because continuum methods such as FEM are none-predictive and are not capable of describing the discontinuous nature of materials on the micro scale. The most important and well-known particle-based methods are molecular dynamics (MD) and the discrete element methods (DEM). Although MD has been widely used to simulate elastic and plastic deformation of materials, it is limited to the atomistic and nanoscales and cannot be used to simulate materials on the macro-scale. On the other hand, DEM is capable of simulating materials on the meso/micro scales and has been expanded since the algorithm was first proposed by Cundall and Strack, in 1979 and adopted by a number of scientific and engineering disciplines. However, it is limited to the simulation of granular materials and elastic brittle solid materials due to its contact configurations and laws. Even with the use of bond models to simulate cohesive and plastic materials, it shows major limitations with parametric estimations and validation against experimental results because its contact laws use parameters that cannot be directly obtained from the material properties or from experiments. The MCA method solves these problems using a hybrid technique, combining advantages of the classical cellular automata method and molecular dynamics and forming a model for simulating elasticity, plasticity and fracture in ductile consolidated materials. It covers both the meso and micro scales, and can even “theoretically” be used on the nano scale if the simulation tool is computationally powerful enough. A distinguishing feature of the MCA method is the description of interaction of forces between automata in terms of stress tensor components. This way a direct relationship between the MCA model parameters of particle interactions and tensor parameters of material constitutive law is established. This makes it possible to directly simulate materials and to implement different models and criteria of elasticity, plasticity and fracture, and describe elastic-plastic deformation using the theory of plastic flow. Hence, in MCA there is no need for parametric fitting because all model parameters can be directly obtained from the material mechanical properties. To model surfaces in contact and friction behaviour using MCA, the particle size can be chosen large enough to consider the contacting surface as a rough plane, which is the approach used in all MCA studies of contacting surfaces so far. The other approach is to specify a very small particle size so that it can directly simulate a real surface, which allows for the direct investigation of material behaviour and processes on all three scale levels (atomic, meso and macro) in an explicit form. This has still been proven difficult to do because it is too computationally extensive and only a small area of the contact can be simulated due to the high numbers of particles required to simulate a real solid. Furthermore, until now, no commercial software is available for MCA simulations, only a 2D MCA demo-version which was developed by the Laboratory of CAD of Materials at the Institute of Strength Physics and Materials Science in Tomsk, Russia, in 2005. The developers of the MCA method use their own in-house codes. This thesis presents the successful development of a 3D MCA open-source software for the scientific and tribology communities to use. This was done by implementing the MCA method within the framework of the open-source code LIGGGHTS. It follows the formulations of the 3D elastic-plastic model developed by the authors including Sergey G. Psakhie, Valentin L. Popov, Evgeny V. Shilko, and the external supervisor on this thesis Alexey Yu. Smolin, which has been successfully implemented in the open-source code LIGGGHTS. Details of the mathematical formulations can be found in [1]–[3], and section 3.5 of this thesis. The MCA model has been successfully implemented to simulate ductile consolidated materials. Specifically, new interaction laws were implemented, as well as features related to particle packing, particle interaction forces, bonding of particles, and others. The model has also been successfully verified, validated, and used in simulating indentation. The validation against experimental results showed that using the developed model, correct material mechanical response can be simulated using direct macroscopic mechanical material properties. The implemented code still shows limitations in terms of computational capacity because the parallelization of the code has not been completely implemented yet. Nevertheless, this thesis extends the capabilities of LIGGGHTS software to provide an open-source tool for using the MCA method to simulate solid material deformation behaviour. It also significantly increases the potential of using MCA in an HPC environment, producing results otherwise difficult to obtain