Molecular dynamic simulation of the self-organization of organically functionalized ceramic nanoparticles (A08)

Subject Area Thermodynamics and Kinetics as well as Properties of Phases and Microstructure of Materials
Synthesis and Properties of Functional Materials
Term from 2018 to 2024
Project identifier Deutsche Forschungsgemeinschaft (DFG) - Project number 192346071
 

Project Description

In TP A8, molecular dynamic simulations are used to investigate mechanisms that enable nanoparticles functionalized with organic molecules to take up a hierarchical arrangement. Such approaches open up a promising way to understand tailor-made multiscale materials with unique properties at the fundamental level and offer the possibility to further develop and adapt manufacturing processes. The aim is to understand the mechanisms of self-organization and functionalization at the atomic level in order to draw conclusions for the production of hierarchical nanocomposites and to provide parameters for a multi-scale simulation approach that are otherwise difficult to access.
DFG Programme Collaborative Research Centres
Subproject of SFB 986:  Tailor-Made Multi-Scale Materials Systems - M3
Applicant Institution Technische Universität Hamburg
Project Head Professor Dr.-Ing. Robert Horst Meißner