Title
Monte Carlo Entropic sampling algorithm applied to 3D spin crossover nanoparticles: Role of the environment on the thermal hysteresis
Date Issued
03 February 2021
Access level
open access
Resource Type
conference paper
Author(s)
Publisher(s)
IOP Publishing Ltd
Abstract
This contribution deals with the development of a 3D Monte Carlo (MC) entropic sampling algorithm to evaluate the density of states of a SCO nanoparticles using three parameters related to the "magnetization", the "spin-spin correlation"and the number of molecules at the surface. This information is then used to analyze the role of the interaction parameter, L, between the external environment of the nanoparticle and the surface's molecules. We show that increasing "L"shifts downward the system's transition temperature, generating a thermal hysteresis whose width increases linearly with the strength of this parameter "L". These behaviors are also studied as function of the SCO nanoparticle size.
Volume
1730
Issue
1
Language
English
OCDE Knowledge area
Termodinámica Física de partículas, Campos de la Física
Scopus EID
2-s2.0-85101587859
Source
Journal of Physics: Conference Series
ISSN of the container
17426588
Conference
9th International Conference on Mathematical Modeling in Physical Sciences, IC-MSQUARE 2020
Sources of information: Directorio de Producción Científica Scopus