Hot Paper: Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure

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The extent to which long-time dynamics of a single tracer particle can be enhanced were tested using a combination of simulations and liquid-state theory in this hot paper. It was found that adding a soft repulsion to interactions with neighbouring particles of a hard-sphere-like tracer particle could significantly enhance the long-time diffusivity.

Graphical abstract: Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure

Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure
James Carmer ,  Gaurav Goel ,  Mark J. Pond ,  Jeffrey R. Errington and Thomas M. Truskett
Soft Matter, 2012, Advance Article
DOI: 10.1039/C1SM06932B

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