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Power of numerical simulations to complement experimental studies

Examining 'material families' reveals structure-function relationships and demonstrates importance of complementary research.

Building on excellent experimental data, COMP researchers Dr Matti Ropo and Professor Jaakko Akola (Tampere University of Technology) use numerical simulations to enrich understanding of material families, like the Group 15 nitrogen family, and in this case, liquid bismuth. Density functional/molecular dynamics simulations agree well with inelastic neutron scattering (INS) and inelastic x-ray scattering (IXS) experimental results. This work was completed in collaboration with Dr R.O. Jones of the Peter Grünberg Institute at the Jülich Research Centre in Germany.

For more detailed information about this paper, please visit the page of the publisher, the American Institute of Physics: Studying Structure to Understand Function within ‘Material Families’. For the original scientific paper, please visit: Collective excitations and viscosity in liquid Bi.

To learn more about Prof. Akola's work, read more on his group's webpage: Materials and Molecular Modeling at Tampere. 

 

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