Negative thermal expansion in single-component systems with isotropic interactions.

@article{Rechtsman2007NegativeTE,
  title={Negative thermal expansion in single-component systems with isotropic interactions.},
  author={Mikael C. Rechtsman and Frank H. Stillinger and Salvatore Torquato},
  journal={The journal of physical chemistry. A},
  year={2007},
  volume={111 49},
  pages={
          12816-21
        }
}
We have devised an isotropic interaction potential that gives rise to negative thermal expansion (NTE) behavior in equilibrium many-particle systems in both two and three dimensions over a wide temperature and pressure range (including zero pressure). An optimization procedure is used in order to find a potential that yields a strong NTE effect. A key feature of the potential that gives rise to this behavior is the softened interior of its basin of attraction. Although such anomalous behavior… 
Comment on "Negative thermal expansion in single-component systems with isotropic interactions".
  • V. Kuzkin
  • Chemistry, Medicine
    The journal of physical chemistry. A
  • 2014
TLDR
It is demonstrated that in the multidimensionalcase NTE is realized even when the third derivative of thepotential is zero or negative, and it is shown that this condition is necessary and sufficient in a one-dimensional case and not necessary, in two and threedimensions.
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These are a set of notes I have made, based on lectures given by M.Moore at the University of Manchester Jan-June ’08. Please e-mail me with any comments/corrections: jap@watering.co.uk.
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