Centre de Recherche sur la Matière Divisée, CNRS-Université d'Orléans, 1b rue de la Férollerie, 45071 Orléans cedex 02, France.
J Phys Condens Matter. 2011 Jan 26;23(3):035106. doi: 10.1088/0953-8984/23/3/035106. Epub 2010 Dec 21.
An improved approach is proposed to analyze the density of metastable states within any hysteresis loop, such as those observed in magnetic materials or for adsorption in porous materials. Except for a few analytically tractable models, most calculations have to be performed numerically on finite systems. The main points to be addressed thus concern the average over various material samples (the so-called realizations of the disorder), and the finite size analysis to estimate the thermodynamic limit. As an improvement of previously existing methods, it is proposed to introduce the Fourier transform of the density of metastable states (characteristic function). Its logarithm is shown to be additive and can straightforwardly be averaged over disorder. This procedure leads to a new definition of the complexity in finite size, giving the usual quenched complexity in the thermodynamic limit, while being better suited to performing finite size analysis. The calculations are illustrated on a molecular simulation based model for a simple fluid adsorbed in heterogeneous siliceous tubular pores mimicking mesoporous materials like MCM-41 or porous silicon. This approach is expected to be of general interest for hysteresis phenomena, including magnetic materials.
提出了一种改进的方法来分析任何滞后回线内亚稳态密度,例如在磁性材料或多孔材料中的吸附中观察到的那些。除了少数可分析处理的模型外,大多数计算都必须在有限系统上进行数值计算。因此,主要关注点涉及到各种材料样本的平均值(所谓的无序实现),以及有限尺寸分析以估计热力学极限。作为先前存在方法的改进,建议引入亚稳态密度的傅里叶变换(特征函数)。证明其对数是可加的,并且可以直接在无序上平均。该过程导致有限尺寸复杂性的新定义,给出了热力学极限中的通常淬火复杂性,同时更适合进行有限尺寸分析。该计算方法基于用于模拟介孔材料(如 MCM-41 或多孔硅)中的异质硅质管状孔中吸附的简单流体的分子模拟模型进行了说明。该方法有望对包括磁性材料在内的滞后现象具有普遍的兴趣。