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Open Access research with a European policy impact...

The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of Open Access research papers by Strathclyde researchers, including by researchers from the European Policies Research Centre (EPRC).

EPRC is a leading institute in Europe for comparative research on public policy, with a particular focus on regional development policies. Spanning 30 European countries, EPRC research programmes have a strong emphasis on applied research and knowledge exchange, including the provision of policy advice to EU institutions and national and sub-national government authorities throughout Europe.

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Fundamental measure theory for pure systems with soft, spherically repulsive interactions

Sweatman, M.B. (2002) Fundamental measure theory for pure systems with soft, spherically repulsive interactions. Journal of Physics: Condensed Matter, 14 (46). pp. 11921-11932. ISSN 0953-8984

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Abstract

Fundamental measure theory (FMT) has recently been extended to penetrable spheres and soft spherical interactions (soft-FMT) (Schmidt M 1999 Phys. Rev. E 60 R6291; 2000 J. Phys.: Condens. Matter 11 10 163). This paper presents these theories in a unified description for a pure system and also describes a simple procedure that is thought to improve the accuracy of FMT for soft, spherically repulsive interactions. An ultra-soft interaction, which is a model for the interaction of star polymers with arm number about 8 in a good solvent, is investigated and a simple procedure is found to significantly improve the accuracy of bulk thermodynamic and pair-correlation functions generated by soft-FMT when compared to Monte Carlo simulation results. The simple procedure also improves prediction of the bulk pressure-density relationship for a square-shoulder system. Similar gains in accuracy are expected for a wide range of soft interactions.