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Full-Text Articles in Engineering Science and Materials
Modeling And Simulation Of Driven Nanopatterning Of Bulk-Material And Thin-Film Surfaces, Ashish Kumar
Modeling And Simulation Of Driven Nanopatterning Of Bulk-Material And Thin-Film Surfaces, Ashish Kumar
Doctoral Dissertations
Material nanostructures such as nanowires, quantum dots, and nanorings have a wide variety of applications in electronic and photonic devices among numerous others. Assembling uniformly arranged and consistently sized nanostructure patterns on solid material surfaces is a major challenge for nanotechnology. This dissertation focuses on developing predictive models capable of simulation and analysis of such nanopattern formation on bulk material and strained thin film surfaces. Single-layer atomic clusters (islands) of sizes larger than a critical size on crystalline conducting substrates undergo morphological instabilities when driven by an externally applied electric field or thermal gradient. We have conducted a systematic and …
Failure Simulations At Multiple Length Scales In High Temperature Structural Alloys, Chao Pu
Failure Simulations At Multiple Length Scales In High Temperature Structural Alloys, Chao Pu
Doctoral Dissertations
A number of computational methodologies have been developed to investigate the deformation and damage mechanism of various structural materials at different length scale and under extreme loading conditions, and also to provide insights in the development of high-performance materials.
In microscopic material behavior and failure modes, polycrystalline metals of interest include heterogeneous deformation field due to crystalline anisotropy, inter/intra grain or phase and grain boundary interactions. Crystal plasticity model is utilized to simulate microstructure based polycrystalline materials, and micro-deformation information, such as lattice strain evolution, can be captured based on crystal plasticity finite element modeling (CPFEM) in ABAQUS. The comparison …
Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He
Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He
Doctoral Dissertations
Improving the durability and utilization efficiency of the platinum-on-carbon (Pt/C) catalyst is of vital importance to the commercialization of the polymer electrolyte membrane fuel cell (PEMFC). This body of work provides molecular level insights to aid the fulfillment of this goal. Chapter 1 describes the use of molecular dynamics (MD) simulation in an effort to understand the Pt/C degradation issue from the nano-adhesion point of view. The roles of catalyst nanoparticle size, shape, Pt/C surface oxidation and the extent of ionomer film hydration are investigated to study their effects on nano-particle adhesion. It is found that the adhesion force strengthens …