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Full-Text Articles in Nanoscience and Nanotechnology

Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn Apr 2016

Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn

Open Access Theses

Molecular dynamics (MD) simulations provide a useful and simple means of calculating the nanoscale thermal properties of materials, which requires special analysis since the thermal properties of materials change when their dimensions reach the nanoscale. In this research, MD is used to investigate the nanoscale phonon thermal transport of materials that are attracting much interest in the areas of materials science and nuclear physics. In order to evaluate two distinct methods of calculating the thermal conductivity of materials using MD, the simulation methods are first applied to Si. Once an understanding of each simulation method is established, they are then …


Development Of A Multiscale Atomistic Code To Investigate Self-Organized Pattern Formation Induced By Ion Irradiation, Zhangcan Yang Oct 2013

Development Of A Multiscale Atomistic Code To Investigate Self-Organized Pattern Formation Induced By Ion Irradiation, Zhangcan Yang

Open Access Dissertations

Various self-organized patterns including ripples and quantum dots can be induced by ion beam sputtering (IBS). For the past decades, the understanding of such phenomenon has been mainly relied on the Bradley-Harper theory that attributes the formation of self-organized patterns to the interplay between roughening by curvature dependence of erosion and smoothening by surface diffusion. Recently, the development of the crater function theory has overturned this erosion-based paradigm to a redistribution-based paradigm. The theory has proved that erosion is irrelevant and negligible in the pattern formation at low and intermediate incidence angles. Despite the success, there are still some questions …