Phase diagram of the Lennard-Jones model: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) m (Added a recent publication) |
|||
| Line 12: | Line 12: | ||
<ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref> | <ref>[http://dx.doi.org/10.1063/1.2953327 Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics '''129''' 026101 (2008)]</ref> | ||
==Solid phase== | ==Solid phase== | ||
<ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref>. | The Lennard-Jones potential has been known to form either hexagonal close-packed (hcp) or face-centred-cubic (fcc) structure. <ref>[http://dx.doi.org/10.1063/1.4955061 Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics '''145''' 014503 (2016)]</ref> | ||
Recently it has been shown that the ground state structure strongly depends on pressure, cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc. | |||
<ref>[http://dx.doi.org/0.1039/c7cp02923c L.B. Partay et al. "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics '''19''' 19369 (2017)]</ref>. | |||
==See also== | ==See also== | ||
*[[Lennard-Jones equation of state]] | *[[Lennard-Jones equation of state]] | ||
Revision as of 15:50, 27 July 2017
|
This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
The phase diagram of the Lennard-Jones model.
2 dimensions
3 dimensions
A very nice example of the phase diagram in the density-temperature plane is given in Figure 3 of [2], and on the pressure-temperature plane in Figure 6 of [3].
4 dimensions
Metastable phase
Solid phase
The Lennard-Jones potential has been known to form either hexagonal close-packed (hcp) or face-centred-cubic (fcc) structure. [6] Recently it has been shown that the ground state structure strongly depends on pressure, cutoff radius and the potential truncation method; and stacking sequences (polytypes) other than fcc and hcp can be the ground state structure too, e.g. dhcp, 9R...etc. [7].
See also
References
- ↑ J. A. Barker, D. Henderson, and F. F. Abraham "Phase diagram of the two-dimensional Lennard-Jones system; Evidence for first-order transitions", Physica A 106 pp. 226-238 (1981)
- ↑ Jean-Pierre Hansen and Loup Verlet "Phase Transitions of the Lennard-Jones System", Physical Review 184 pp. 151-161 (1969)
- ↑ Alex Travesset "Phase diagram of power law and Lennard-Jones systems: Crystal phases", Journal of Chemical Physics 141 164501 (2014)
- ↑ M. Hloucha and S. I. Sandler "Phase diagram of the four-dimensional Lennard-Jones fluid", Journal of Chemical Physics 111 pp. 8043-8047 (1999)
- ↑ Hagai Eshet, Fabien Bruneval, and Michele Parrinello "New Lennard-Jones metastable phase", Journal of Chemical Physics 129 026101 (2008)
- ↑ Hertanto Adidharma and Sugata P. Tan "Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30", Journal of Chemical Physics 145 014503 (2016)
- ↑ L.B. Partay et al. "Polytypism in the ground state structure of the Lennard-Jonesium", Physical Chemistry Chemical Physics 19 19369 (2017)
Related reading
- B. Smit "Phase diagrams of Lennard‐Jones fluids", Journal of Chemical Physics 96 pp. 8639-8640 (1992)
- Hiroshi Watanabe, Nobuyasu Ito, and Chin-Kun Hu "Phase diagram and universality of the Lennard-Jones gas-liquid system", Journal of Chemical Physics 136 204102 (2012)
- C. Calero1, C. Knorowski and A. Travesset "Determination of anharmonic free energy contributions: Low temperature phases of the Lennard-Jones system", Journal of Chemical Physics 144 124102 (2016)