4-8 July 2016
Kramer Law building
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=10&confId=86">The Proceedings of SAIP2016</a> published on 24 December 2017

Modeling of the Debye Temperature, Melting Entropy and Enthalpy of Nanomaterials

8 Jul 2016, 11:30
20m
2A (Kramer Law building)

2A

Kramer Law building

UCT Middle Campus Cape Town
Oral Presentation Track G - Theoretical and Computational Physics Theoretical and Computational Physics (1)

Speaker

Dr Madan Singh (National University of Lesotho)

Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?

Yes

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Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

Free surface atoms experience a different state than do atoms in the bulk of material. As a consequence, the energy associated with these atoms will be different from the atoms of the bulk. The excess energy associated with the surface atom is called the free surface energy. In bulk materials, such free energy is neglected because it is associated with only few layers of atoms near the surface and the ratio of the volume occupied by the surface atoms and the total volume of the material is extremely small. However for the nanomaterials, the surface to volume ratio is significant. Based on this theory, we report a theoretical model, free of adjustable parameters, the shape and size dependent Debye temperature, Melting entropy and Enthalpy of Au, Ag and In nanomaterials. In this report, we adopt the top down approach using classical thermodynamics by considering Lindemann’s criterion to study the size and shape effect. The results obtained are compared with the available experimental data. A good agreement between the model prediction and the experimental data support the theory developed.

Primary author

Dr Madan Singh (National University of Lesotho)

Co-author

Prof. Spirit Tlali (National University of Lesotho)

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