Computer simulations ● Nanostructures ● Physical properties

Alain Rochefort is a professor in the Department of Engineering Physics and leader of the Nanostructures Laboratory.

His team develops customized digital tools for description and characterization of nanomaterials.

 

 (514) 340-4711 extension 4787

Unlocking the secrets of nanomaterials

The miniaturization of technology has been ongoing since the advent of transistor. As with any science, however, work on nanotechnologies requires the right tools. At the nanometric scale, the laws of physics are no longer the same. The tools being developed in Professor Rochefort’s lab employ numerical simulations (calculations using computers) to predict, as accurately as possible, the physical properties (electronic, structural, reactive) of nanomaterials and even their interactions (covalent, van der Waals and π-π bonding). For example, slight bending of carbon nanotubes drastically decreases their transmission function, while twisting them has a weak effect on their movement.

And what do these nanostructures look like? They can be anything from molecules to wires, networks, and thin films.

Where to find these tiny tools

Thoroughly understanding the properties of nanomaterials and, in turn, nanostructures makes their use in technology and industry easier. Nanotechnologies have rapidly been adopted (or are being developed) in several industry settings: optics, textiles, food, cosmetology (for sunscreens), the environment, energy (photovoltaic cells), industrial security, electronics, and medicine. Companies that work or collaborate with the Nanostructures Lab can discover the technologies of tomorrow, today.

Nanomaterials, macro-equations

How does one go about predicting nanomaterials’ behaviours? It takes more than pluses and minuses. The Nanostructures team members must take multiple parameters into account: thermodynamics, number of molecules, radiation effects, electrochemical potential, distances between atoms—an awful lot for such a small scale!