Speaker
Mr
Tshegofatso Michael Phaahla
(University of Limpopo)
Description
Titanium clusters is one of the central theme in cluster science to investigate the evolution of the electronic, structural and magnetic properties of the metal clusters as a function of cluster size. The atomic structures and dynamics of nanoclusters have been of crucial importance in both experimental and theoretical studies owing to their useful physical and chemical properties in various industrial applications. In particular, the titanium metal clusters have been shown to strongly dependent on their internal clusters energy which dictate the geometrical arrangement and growth patterns. In this study, molecular dynamics simulation was used to investigate the temperature effects on pure Ti metal nanoclusters in both vacuum and under pressure of Argon gas. The effect of gas phase environment on the structural growth and dynamical properties was interrogated by subjecting the nanoclusters to various temperatures in the range of 300K – 2000K. The radial distribution functions and diffusivity were examined to study the structural changes as a function of temperature. It was found that the gas phase and the vacuum structures melting point correspond well with the experimental data. Furthermore, the diffusivity of both the gas phase and vacuum increases as the temperature is increased. This observations is important in the production of titanium metal and development of titanium metal components for industrial and aerospace applications
Supervisor details<br><b>If not a student, type N/A.</b><br>Student abstract submision<br>requires supervisor permission:<br>please give their name,<br> institution and email address.
Prof P. E. Ngoepe
Phuti.Ngoepe@ul.ac.za
University of Limpopo
Prof H. R. Chauke
Hr.Chauke@ul.ac.za
University of Limpopo
| Please confirm that you<br>have carefully read the<br>abstract submission instructions<br>under the menu item<br>"Call for Abstracts"<br><b>(Yes / No)</b> | Yes |
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| Consideration for<br>student awards<br><b>Choose one option<br>from those below.</b><br>N/A<br>Hons<br>MSc<br>PhD | PhD |
Primary author
Mr
Tshegofatso Michael Phaahla
(University of Limpopo)
