Kumar Anupam, Kumar Mandal Biplab, Kumar Sanat, Mishra Pankaj
Department of Applied Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad-826004, Jharkhand, India.
Eur Phys J E Soft Matter. 2017 Sep;40(9):80. doi: 10.1140/epje/i2017-11572-x. Epub 2017 Sep 25.
We have investigated the fluid-solid freezing transitions in a system of axially symmetric particles confined to a two-dimensional plane and interacting via purely repulsive octupolar interaction potential varying as the seventh power of the inverse interparticle separation. Both the one-component and two-component cases have been considered. The classical density functional theory of freezing has been employed to study the relative stability of the triangular solid phase of the system with respect to the fluid phase of the system using the structural inputs calculated by solving the Rogers-Young integral equation theory. Considering the freezing of the fluid into substitutionally disordered solid, in the case of binary mixtures, we observe that the temperature-composition phase diagram is a spindle for moderate particle asymmetries in the range 0.90-0.75. Further increasing the asymmetry to 0.70 results in the coexistence of the fluid phases of two different compositions.
我们研究了二维平面中受限于轴对称粒子系统的流固冻结转变,这些粒子通过纯排斥八极相互作用势相互作用,该势随粒子间距离倒数的七次方变化。我们考虑了单组分和双组分两种情况。采用经典的冻结密度泛函理论,利用通过求解罗杰斯 - 杨积分方程理论计算得到的结构输入,研究了系统的三角固相相对于流体相的相对稳定性。对于二元混合物,考虑流体冻结成替代无序固体的情况,我们观察到,在粒子不对称性为0.90 - 0.75的适度范围内,温度 - 组成相图呈纺锤形。进一步将不对称性增加到0.70会导致两种不同组成的流体相共存。