Elastic model for spin crossover nanoparticles in matrices

Proceedings of the Romanian Academy Series A-Mathematics Physics Technical Sciences Information Science

Laurentiu STOLERIU¹ 

关键词: spin crossover nanoparticles;    elastic model;    Monte Carlo simulation;    cluster formation.;   

DOI  :  

学科分类：计算机科学（综合）

来源: Editura Academiei Romane

【 摘 要 】

In this paper we investigate the thermal behaviour of spin crossover nanoparticles inmatrices formed by polymer or surfactant molecules using an elastic model. The individual moleculesare represented as balls with different sizes depending on the spin state and the intermolecularinteractions are taken into account by the way of springs with given elastic constant. The surroundingmatrices are represented as lattices of given size molecules, linked by springs. The system is treated inthe framework of Monte Carlo Method with Arrhenius probabilities. The main objective isrepresented by the understanding of the differences in behaviour between nanoparticles compared tobulk of the same material. In addition, we study the effects of the size of matrix molecules and wediscuss the mechanism of propagation of spin change from a particle to another through the matrix.

【 授权许可】

Unknown