Quantifying the effects of neglecting many-body interactions in coarse-grained models of complex fluids.

@article{Ashton2014QuantifyingTE,
  title={Quantifying the effects of neglecting many-body interactions in coarse-grained models of complex fluids.},
  author={D. Ashton and N. Wilding},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2014},
  volume={89 3},
  pages={
          031301
        }
}
  • D. Ashton, N. Wilding
  • Published 2014
  • Physics, Medicine
  • Physical review. E, Statistical, nonlinear, and soft matter physics
  • We describe a general simulation scheme for assessing the thermodynamic consequences of neglecting many-body effects in coarse-grained models of complex fluids. The method exploits the fact that the asymptote of a simple-to-measure structural function provides direct estimates of virial coefficients. Comparing the virial coefficients of an atomistically detailed system with those of a coarse-grained version described by pair potentials, permits the role of many-body effects to be quantified… CONTINUE READING
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