Energetics, Thermal And Structural Properties Of Hafnium Clusters Via Molecular Dynamics Simulation
Kelakuan keleburan gugusan hafnium (saiz 2 < n < 99 ) dikaji melalui simulasi dinamik molekul (MD). Interaksi antara atom hafnium diperihalkan dengan keupayaan Charged-Optimized Many-Body (COMB). Keupayaan COMB yang sama digunakan bersama dengan algoritma pengoptimuman global yang dikenali...
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| Format: | Thesis |
| Language: | English |
| Published: |
2016
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| Subjects: | |
| Online Access: | http://eprints.usm.my/31639/1/Ng_Wei_Chun.pdf |
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