## Abstract

Monte Carlo simulations of a system of two-dimensional hard, homonuclear dimers are reported. The equation-of-state, structural and orientational properties, and the free energy were computed for the fluid phase and several crystalline and non-crystalline (non-periodic) solid structures. The differences in the Gibbs free energy between the various solid structures were found not to exceed 0.1k{sub B}T per particle. This is much less than the contribution to the entropy per particle due to degeneracy of the `ground state` of the non-periodic solid which amounts to 0.857k{sub B}T. Hence, the thermodynamically stable solid structure of the system corresponds to a set of non-periodic arrangements of the molecular centres of mass and orientations. The coexistence pressure of the non-periodic solid and fluid is determined; it is located within the observed narrow hysteresis region. It is shown that structures of the crystalline solids are well approximated by a simple lattice model. (author). 40 refs, 15 figs, 7 tabs.

Wojciechowski, K W;

^{[1] }Branka, A C;^{[2] }Frenkel, D^{[3] }- International Centre for Theoretical Physics, Trieste (Italy)
- Polish Academy of Sciences, Poznan (Poland). Inst. of Molecular Physics
- F.O.M. Inst. for Atomic and Molecular Physics, Amsterdam (Netherlands)

## Citation Formats

Wojciechowski, K W, Branka, A C, and Frenkel, D.
Monte Carlo simulations of a two-dimensional hard dimer system.
IAEA: N. p.,
1992.
Web.

Wojciechowski, K W, Branka, A C, & Frenkel, D.
Monte Carlo simulations of a two-dimensional hard dimer system.
IAEA.

Wojciechowski, K W, Branka, A C, and Frenkel, D.
1992.
"Monte Carlo simulations of a two-dimensional hard dimer system."
IAEA.

@misc{etde_10119783,

title = {Monte Carlo simulations of a two-dimensional hard dimer system}

author = {Wojciechowski, K W, Branka, A C, and Frenkel, D}

abstractNote = {Monte Carlo simulations of a system of two-dimensional hard, homonuclear dimers are reported. The equation-of-state, structural and orientational properties, and the free energy were computed for the fluid phase and several crystalline and non-crystalline (non-periodic) solid structures. The differences in the Gibbs free energy between the various solid structures were found not to exceed 0.1k{sub B}T per particle. This is much less than the contribution to the entropy per particle due to degeneracy of the `ground state` of the non-periodic solid which amounts to 0.857k{sub B}T. Hence, the thermodynamically stable solid structure of the system corresponds to a set of non-periodic arrangements of the molecular centres of mass and orientations. The coexistence pressure of the non-periodic solid and fluid is determined; it is located within the observed narrow hysteresis region. It is shown that structures of the crystalline solids are well approximated by a simple lattice model. (author). 40 refs, 15 figs, 7 tabs.}

place = {IAEA}

year = {1992}

month = {Sep}

}

title = {Monte Carlo simulations of a two-dimensional hard dimer system}

author = {Wojciechowski, K W, Branka, A C, and Frenkel, D}

abstractNote = {Monte Carlo simulations of a system of two-dimensional hard, homonuclear dimers are reported. The equation-of-state, structural and orientational properties, and the free energy were computed for the fluid phase and several crystalline and non-crystalline (non-periodic) solid structures. The differences in the Gibbs free energy between the various solid structures were found not to exceed 0.1k{sub B}T per particle. This is much less than the contribution to the entropy per particle due to degeneracy of the `ground state` of the non-periodic solid which amounts to 0.857k{sub B}T. Hence, the thermodynamically stable solid structure of the system corresponds to a set of non-periodic arrangements of the molecular centres of mass and orientations. The coexistence pressure of the non-periodic solid and fluid is determined; it is located within the observed narrow hysteresis region. It is shown that structures of the crystalline solids are well approximated by a simple lattice model. (author). 40 refs, 15 figs, 7 tabs.}

place = {IAEA}

year = {1992}

month = {Sep}

}