Milchev Andrey, Müller M, Binder K, Landau D P
Institute for Physical Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria.
Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Sep;68(3 Pt 1):031601. doi: 10.1103/PhysRevE.68.031601. Epub 2003 Sep 4.
Theoretical predictions by Parry et al. for wetting phenomena in a wedge geometry are tested by Monte Carlo simulations. Simple cubic LxLxL(y) Ising lattices with nearest neighbor ferromagnetic exchange and four free LxL(y) surfaces, at which antisymmetric surface fields +/-H(s) act, are studied for a wide range of linear dimensions (4</=L</=320, 30</=L(y)</=1000), in an attempt to clarify finite size effects on the wedge filling transition in this "double-wedge" geometry. Interpreting the Ising model as a lattice gas, the problem is equivalent to a liquid-gas transition in a pore with quadratic cross section, where two walls favor the liquid and the other two walls favor the gas. For temperatures T below the bulk critical temperature T(c) this boundary condition (where periodic boundary conditions are used in the y direction along the wedges) leads to the formation of two domains with oppositely oriented magnetization and separated by an interface. For L,L(y)--> infinity and T larger than the filling transition temperature T(f)(H(s)), this interface runs from the one wedge where the surface planes with a different sign of the surface field meet (on average) straight to the opposite wedge, so that the average magnetization of the system is zero. For T<T(f)(H(s)), however, this interface is bound either to the wedge where the two surfaces with field -H(s) meet (then the total magnetization m of the system is positive) or to the opposite wedge (then m<0). The distance l(0) of the interface midpoint from the wedges is studied as T-->T(f)(H(s)) from below, as is the corresponding behavior of the magnetization and its moments. We consider the variation of l(0) for T>T(f)(H(s)) as a function of a bulk field and find that the associated exponents agree with theoretical predictions. The correlation length xi(y) in the y direction along the wedges is also studied, and we find no transition for finite L and L(y)--> infinity. For L--> infinity the prediction l(0) proportional, variant (H(sc)-H(s))(-1/4) is verified, where H(sc)(T) is the inverse function of T(f)(H(s)) and xi(y) proportional, variant (H(sc)-H(s))(-3/4), respectively. We also find that m vanishes discontinuously at the filling transition. When the corresponding wetting transition is first order we also obtain a first-order filling transition.
帕里等人对楔形几何中润湿现象的理论预测通过蒙特卡罗模拟进行了检验。研究了具有最近邻铁磁交换和四个自由LxL(y)表面的简单立方LxLxL(y)伊辛晶格,在这些表面上作用着反对称表面场+/-H(s),研究范围涵盖了广泛的线性尺寸(4≤L≤320,30≤L(y)≤1000),旨在阐明这种“双楔形”几何中有限尺寸对楔形填充转变的影响。将伊辛模型解释为晶格气体,该问题等同于二次截面孔隙中的液 - 气转变,其中两面有利于液体,另外两面有利于气体。对于低于体临界温度T(c)的温度T,这种边界条件(沿楔形在y方向使用周期性边界条件)会导致形成两个具有相反取向磁化且被界面分隔的区域。对于L、L(y)趋于无穷且T大于填充转变温度T(f)(H(s)),该界面从一个楔形延伸到另一个楔形,在这个楔形中具有不同表面场符号的表面平面(平均而言)相交,从而使系统的平均磁化强度为零。然而,对于T<T(f)(H(s)),该界面要么附着在两个具有场 -H(s)的表面相交的楔形上(此时系统的总磁化强度m为正),要么附着在相对的楔形上(此时m<0)。研究了界面中点到楔形的距离l(0)在T从下方趋近于T(f)(H(s))时的情况,以及磁化强度及其矩的相应行为。我们考虑了T>T(f)(H(s))时l(0)随体场的变化,发现相关指数与理论预测相符。还研究了沿楔形在y方向的关联长度xi(y),发现对于有限的L和L(y)趋于无穷时没有转变。对于L趋于无穷,验证了预测l(0)与(H(sc)-H(s))^(-1/4)成比例,其中H(sc)(T)是T(f)(H(s))的反函数,且xi(y)与(H(sc)-H(s))^(-3/4)成比例。我们还发现m在填充转变处不连续地消失。当相应的润湿转变是一级时,我们也得到一级填充转变。