Interaction potentials W-S

From: Evgeniya Volkova (eaxev_at_nottingham.ac.uk)
Date: Wed Dec 15 2010 - 08:13:40 CST

Dear Sir/ Madam,

I am a new postgraduate student in Polymer Research Group at the University of Nottingham. I am working on modelling multi-phase ceramic/metal nanocomposites under shock-loading. Nanocomposites consist of nanoparticles of ceramics, Inorganic Fullerenes WS2 (Tungsten(IV) sulphide) like nanoparticles and Aluminium alloy as a matrix.

I have got two questions. Could you, please, help me with it?

The first one is that I have to obtain interaction potentials W-S (Tungsten-Sulfur), W-W, S-S for modelling my nanocomposite. Could you, please, advise me how I can obtain these potentials for inorganic structure?

The second one is:
After I will get interaction potentials how I can obtain mechanical properties of inorganic fullerene WS2 (Young's modulus, Poisson ratio).

Yours faithfully,
Evgeniya Volkova
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Polymer Composites Research Group
Room B02
ITRC Building
Division of Materials, Mechanics and Structures
Faculty of Engineering
University Park
The University of Nottingham
Nottingham
NG7 2RD
UK

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