Pattabhiraman Harini, Gantapara Anjan P, Dijkstra Marjolein
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Department of Physics, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands.
J Chem Phys. 2015 Oct 28;143(16):164905. doi: 10.1063/1.4934499.
Using computer simulations, we study the phase behavior of a model system of colloidal hard disks with a diameter σ and a soft corona of width 1.4σ. The particles interact with a hard core and a repulsive square-shoulder potential. We calculate the free energy of the random-tiling quasicrystal and its crystalline approximants using the Frenkel-Ladd method. We explicitly account for the configurational entropy associated with the number of distinct configurations of the random-tiling quasicrystal. We map out the phase diagram and find that the random tiling dodecagonal quasicrystal is stabilised by entropy at finite temperatures with respect to the crystalline approximants that we considered, and its stability region seems to extend to zero temperature as the energies of the defect-free quasicrystal and the crystalline approximants are equal within our statistical accuracy.
通过计算机模拟，我们研究了直径为σ且软冠层宽度为1.4σ的胶体硬球模型系统的相行为。粒子通过硬核和排斥性方肩势相互作用。我们使用Frenkel-Ladd方法计算了随机平铺准晶体及其晶体近似物的自由能。我们明确考虑了与随机平铺准晶体不同构型数量相关的构型熵。我们绘制了相图，发现随机平铺十二边形准晶体在有限温度下相对于我们所考虑的晶体近似物因熵而稳定，并且在我们的统计精度范围内，由于无缺陷准晶体和晶体近似物的能量相等，其稳定区域似乎延伸到零温度。
