Studies of Material Properties on Metal Thin Film and Polyimide by Microscopic Simulations
碩士 === 國立臺灣大學 === 工程科學及海洋工程學研究所 === 105 === Due to the development of the powerful computation algorithm and device, the material modeling is getting more important and reliable. In this thesis, the density functional theory and molecular dynamics are used to study the microscale and nanoscale mater...
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| Format: | Others |
| Language: | en_US |
| Published: |
2017
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| Online Access: | http://ndltd.ncl.edu.tw/handle/03157888771141061301 |
| Summary: | 碩士 === 國立臺灣大學 === 工程科學及海洋工程學研究所 === 105 === Due to the development of the powerful computation algorithm and device, the material modeling is getting more important and reliable. In this thesis, the density functional theory and molecular dynamics are used to study the microscale and nanoscale material properties. By using the density functional theory, the optical properties of gold and silver in bulk and thin film phases are demonstrated. The size-dependent and anisotropic permittivity of thin film are found. By using the molecular dynamics, it is found that the order parameter is an important issue to simulate the material properties due to the strongly orientation-dependent phenomena of properties. Furthermore, the relation of the structure and properties is discussed.
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