서강대학교

초록/요약 도움말

A three dimensional model for dynamic evolution based on multi-physics approach has been presented. Diffuse interface model is employed to describe the evolution in terms of both temporal and spatial dependence of continuum functions and provides a general framework for simulating many complicated micro / nano-structures in real materials. Attention is focused on a full nonlinear evolution simulation to reveal the dynamic process from early perturbation to late structure. Energetic components involving the interface energy and kinetics of diffusion is incorporated into the diffuse interface model. The semi-implicit Fourier spectral scheme is applied for high efficiency and numerical stability. The diffuse interface model incorporates multiple mechanisms related with each component is systematically integrated for high reliability of computational analysis. Moreover, the fidelity of the estimated efficacy of chemotherapy is enhanced by atomic information associated to the diffusion characteristics. Meanwhile, Molecular dynamics (MD) simulations provide ideal tool for studying the interfacial properties. This thesis also proposes a three dimensional of self-assembly of micro / nano-structures related with temperature field. One general mechanism is surface diffusion. The computational method aims to investigate the mechanical behaviors and test self-assembly of special materials into useful micro / nano-structures. The theoretical model provides an efficient verification on experimental work and encourages the current approach to define the geometries required in actual practice.