Kinetic Monte Carlo\nApproach as a Tool for the Study\nof Magnetic Hyperthermia Efficiency

This study focuses\non the development and implementation\nof a computational\nmodel based on a two-level system framework, employing a kinetic Monte\nCarlo approach, to simulate the behavior of magnetic nanoparticles\nin fluid environments under alternating magnetic field excitation.\nThe primary goal is to develop a tool to be used in the investigation\nof the impact of different nanoparticle properties on the efficiency\nof magnetic hyperthermia. A crucial aspect of this investigation is\nthe rigorous validation of the computational model through comprehensive\ncomparisons with experimental observations varying particle size,\nconcentration, and magnetic field amplitude and frequency, ensuring\nthe reliability and accuracy of the model in capturing the complex\ndynamics of nanoparticles in suspension and its influence on hyperthermia\nefficiency. Our findings underscore the potential of this computational\nmodel as a predictive tool for estimating Specific Loss Power (SLP)\nmetrics across various systems subjected to different applied magnetic\nfields. By delineating the relationship between the nanoparticle’s\ncharacteristics and hyperthermia efficiency, this study contributes\nto advancing the fundamental understanding and predictive capabilities\nof magnetic nanoparticle-based hyperthermia therapies.

Publication Details

Journal
Figshare
Published
2024-12-26
DOI
https://doi.org/10.1021/acs.jpcc.4c07127.s001
Primary Topic
Scientific Computing and Data Management
Type
article
Field-Weighted Citation Impact
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article

Kinetic Monte Carlo\nApproach as a Tool for the Study\nof Magnetic Hyperthermia Efficiency

Figshare
Scientific Computing and Data Management
article

Kinetic Monte Carlo\nApproach as a Tool for the Study\nof Magnetic Hyperthermia Efficiency

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Abstract

This study focuses\non the development and implementation\nof a computational\nmodel based on a two-level system framework, employing a kinetic Monte\nCarlo approach, to simulate the behavior of magnetic nanoparticles\nin fluid environments under alternating magnetic field excitation.\nThe primary goal is to develop a tool to be used in the investigation\nof the impact of different nanoparticle properties on the efficiency\nof magnetic hyperthermia. A crucial aspect of this investigation is\nthe rigorous validation of the computational model through comprehensive\ncomparisons with experimental observations varying particle size,\nconcentration, and magnetic field amplitude and frequency, ensuring\nthe reliability and accuracy of the model in capturing the complex\ndynamics of nanoparticles in suspension and its influence on hyperthermia\nefficiency. Our findings underscore the potential of this computational\nmodel as a predictive tool for estimating Specific Loss Power (SLP)\nmetrics across various systems subjected to different applied magnetic\nfields. By delineating the relationship between the nanoparticle’s\ncharacteristics and hyperthermia efficiency, this study contributes\nto advancing the fundamental understanding and predictive capabilities\nof magnetic nanoparticle-based hyperthermia therapies.

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Scientific Computing and Data Management
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