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NSYSU

1. Huang, Hsin-Hong. The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method.

Degree: Master, Mechanical and Electro-Mechanical Engineering, 2013, NSYSU

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. Advisors/Committee Members: J. C. Huang (chair), Cheng-Tang Pan (chair), Che-Hsin Lin (chair), Shin-Pon Ju (committee member).

Subjects/Keywords: Molecular dynamics; Bulk metallic glass; MgZnCa; Basin-Hopping; Force-Matching; Tight-Binding; Fitting

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Huang, H. (2013). The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-173401

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Huang, Hsin-Hong. “The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method.” 2013. Thesis, NSYSU. Accessed May 20, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-173401.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Huang, Hsin-Hong. “The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method.” 2013. Web. 20 May 2019.

Vancouver:

Huang H. The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method. [Internet] [Thesis]. NSYSU; 2013. [cited 2019 May 20]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-173401.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Huang H. The development of fitting potential parameter of the molecular mechanics by Basin-Hopping method. [Thesis]. NSYSU; 2013. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0727113-173401

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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