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  4. Atomistic simulation of dealloying-made microstructures
 
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Atomistic simulation of dealloying-made microstructures

Citation Link: https://doi.org/10.15480/882.5119
Publikationstyp
Doctoral Thesis
Date Issued
2023
Sprache
English
Author(s)
Li, Yong  orcid-logo
Advisor
Weissmüller, Jörg  
Referee
Schneider, Gerold A.  
Title Granting Institution
Technische Universität Hamburg
Place of Title Granting Institution
Hamburg
Examination Date
2023-04-27
Institut
Werkstoffphysik und -technologie M-22  
TORE-DOI
10.15480/882.5119
TORE-URI
http://hdl.handle.net/11420/15305
Citation
Technische Universität Hamburg (2023)
This thesis explores the evolution of these microstructural features: residual silver, characteristic length scale, and topological connectivity in nanoporous gold (NPG). Kinetic Monte Carlo was used to simulate the dealloying and coarsening processes. Molecular Dynamics was used to simulate the shrinkage process of NPG structures. It is found that the dealloying occurs in two stages. In the primary dealloying, silver clusters are embedded in the ligaments; in the secondary dealloying, the number of silver clusters is reduced. The silver cluster size retains constant during the whole dealloying and scales with the initial ligament size established in the primary dealloying. The finding of coarsening law provides a conclusive confirmation for scattered experimental results. This thesis points out that the solid fraction plays a significant role in the evolution of the nanoporous network’s connectivity during the dealloying, coarsening and shrinkage processes.
Subjects
nanoporous gold
microstructure evolution
dealloying
coarsening
topological genus
connectivity
kinetic monte carlo simulation
molecular dynamics simulation
DDC Class
620: Ingenieurwissenschaften
Funding(s)
SFB 986: Teilprojekt B02 - Feste und leichte Hybridwerkstoffe auf Basis nanoporöser Metalle  
FOR 2213: Teilprojekt - Gefügeentwicklung und Auswirkungen der Mechanik auf die Katalyse  
Funding Organisations
Deutsche Forschungsgemeinschaft
Lizenz
https://creativecommons.org/licenses/by/4.0/
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