Energetics, Thermal And Structural Properties Of Hafnium Clusters Via Molecular Dynamics Simulation

Ng , Wei Chun (2016) Energetics, Thermal And Structural Properties Of Hafnium Clusters Via Molecular Dynamics Simulation. Masters thesis, Universiti Sains Malaysia.

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Abstract

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 PTMBHGA untuk menjanakan struktur input pada keadaan asas untuk proses MD. The melting behavior of hafnium clusters (of sizes 2 < n < 99) are studied via molecular dynamics (MD) simulation. The interaction between the hafnium atoms is described by Charged-Optimized Many-Body (COMB) potential.

Item Type:	Thesis (Masters)
Subjects:	Q Science > QC Physics > QC1 Physics (General)
Divisions:	Pusat Pengajian Sains Fizik (School of Physics) > Thesis
Depositing User:	Mr Firdaus Mohamad
Date Deposited:	17 Jan 2017 03:50
Last Modified:	12 Apr 2019 05:25
URI:	http://eprints.usm.my/id/eprint/31639

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