Measuring g(r) by test-particle insertion

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• Dirk Aarts (University of Oxford)
• Wednesday 16 January 2019, 11:45-12:30
• Seminar Room 1, Newton Institute.

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DNMW01 - Optimal design of complex materials

The pair distribution function g® plays a central role in liquid state theory, linking structure and thermodynamics. It is typically measured by constructing a histogram of the distances between all pairs of particles, which is used in simulations and experiments where single particle coordinates can be obtained. Here, we present a novel method based on Henderson’s method [1] for measuring the cavity distribution function, going beyond our recent work on particles with hard interactions [2]. The method measures g® in a highly efficient way; moreover, it allows us to obtain an effective pair potential between colloidal particles in experiment.

This talk is part of the Isaac Newton Institute Seminar Series series.

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