Open Access. Powered by Scholars. Published by Universities.®
Engineering Science and Materials Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 3 of 3
Full-Text Articles in Engineering Science and Materials
Traction-Separation Relationships For Hydrogen-Induced Grain Boundary Embrittlement In Nickel Via Molecular Dynamics Simulations, Wesley Allen Barrows
Traction-Separation Relationships For Hydrogen-Induced Grain Boundary Embrittlement In Nickel Via Molecular Dynamics Simulations, Wesley Allen Barrows
Graduate Theses and Dissertations
The deleterious effects of atomic and molecular hydrogen on the mechanical properties of metals have long been observed. Although several theories exist describing the mechanisms by which hydrogen negatively influences the failure of materials, a consensus has yet to be reached regarding the exact mechanism or combination of mechanisms. Two mechanisms have gained support in explaining hydrogen’s degradative role in non-hydride forming metals: hydrogen-enhanced localized plasticity and hydrogen-enhanced decohesion. Yet, the interplay between these mechanisms and microstructure in metallic materials has not been explained. Accordingly, for this thesis, the three main objectives are: (i) to develop a numerical methodology to …
Orientation Controllable Epitaxial Vapor-Liquid-Solid Semiconductor Nanowire Synthesis On Silicon Substrate, Sung Hwan Chung
Orientation Controllable Epitaxial Vapor-Liquid-Solid Semiconductor Nanowire Synthesis On Silicon Substrate, Sung Hwan Chung
Open Access Dissertations
Semiconductor nanowires synthesized via the vapor-liquid-solid (VLS) mechanism have attracted extensive research interest in recent years owing to their unique structure as a promising candidate for the future electronic devices. Germanium and silicon nanowires, in particular, are compatible with the current silicon-based technology via direct assembly. However, one of the main challenges for the successful nanowire application in large-scale is the lack of the method for obtaining nanowires in desired positions and directions. Therefore, the comprehensive, systematic understanding of epitaxial nanowire growth and the more suitable method to align nanowires on novel structure are required. In this work, the synthesis …
Molecular Dynamics Study Of Diffusion Of O2 Penetrates In Uncrosslinked Polydimethysiloxane (Pdms), Crosslinked Pdms, And Pdms-Based Nanocomposites, Varun Ullal
Graduate Theses and Dissertations
Molecular dynamics simulations are used to study diffusion of O2 molecules in pure polydimethysiloxane (PDMS), crosslinked PDMS, and PDMS-based nanocomposites. The PDMS chains and penetrates are modeled using a hybrid interatomic potential which treats the Si-O atoms along the chain backbone explicitly while coarse-graining the methyl side groups and penetrates. By tracking the diffusion of penetrates in the system and subsequently computing their mean-squared displacement, diffusion coefficients are obtained. In pure PDMS models of varying molecular weight, diffusivity of the O22 penetrates is found to have an inverse relationship with chain length. Simulation models with longer chains …