Title page for etd-0727113-173401


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URN etd-0727113-173401
Author Hsin-Hong Huang
Author's Email Address No Public.
Statistics This thesis had been viewed 5334 times. Download 552 times.
Department Mechanical and Electro-Mechanical Engineering
Year 2012
Semester 2
Degree Master
Type of Document
Language zh-TW.Big5 Chinese
Title The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method
Date of Defense 2013-07-15
Page Count 95
Keyword
  • Molecular dynamics
  • Bulk metallic glass
  • MgZnCa
  • Basin-Hopping
  • Force-Matching
  • Tight-Binding
  • Fitting
  • Abstract This research will combine the Force-Matching method and Basin-Hopping method to develop a new method for fitting the potential function parameters of the multi-element alloys. The combination of Force-Matching and Basin-Hopping methods not only can give the fitting parameters accurately and rapidly, but also can be used in the molecular mechanics to obtain a reasonable structure and mechanical properties of material. The new parameters obtained by this fitting approach are able to decrease the relative errors between simulation and experiment of metallic glass.
    The choice of potential function is Tight-binding function that can describe the interaction of transition metallic atoms accurately. The MgZnCa bulk metallic glass is chose to verify the parameters for simulation. Owing to the high complexity of the interaction between atoms it is more difficult to fit the potential parameters for the respective pair, including the potential parameters of Mg-Mg, Zn-Zn, Ca-Ca, Mg-Zn, Mg-Ca and Zn-Ca interactions. The combination of FM and BH methods can fit out the six potential parameters accurately and rapidly. Those parameters will be used in molecular dynamics to investigate the mechanical properties and compared with experiment values.
    Advisory Committee
  • J. C. Huang - chair
  • Che-Hsin Lin - co-chair
  • Cheng-Tang Pan - co-chair
  • Shin-Pon Ju - advisor
  • Files
  • etd-0727113-173401.pdf
  • Indicate in-campus at 2 year and off-campus access at 2 year.
    Date of Submission 2013-08-27

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