| URN |
etd-0727113-173401 |
|---|
| Author |
Hsin-Hong Huang |
|---|
| Author's Email Address |
No Public. |
|---|
| Statistics |
This thesis had been viewed 5584 times. Download 712 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 |
Indicate in-campus at 2 year and off-campus access at 2 year. |
|---|
| Date of Submission |
2013-08-27 |
|---|
