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Atomistic investigation on the structure–property relationship during thermal spray nanoparticle impact

Goel, Saurav and Faisal, Nadimul Haque and Ratia, Vilma and Agrawal, Anupam and Stukowski, Alexander (2014):
Atomistic investigation on the structure–property relationship during thermal spray nanoparticle impact.
In: Computational Materials Science, Elsevier Science Publishing, pp. 163-174, 84, ISSN 09270256,
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2013.12.011],
[Article]

Abstract

During thermal spraying, hot particles impact on a colder substrate. This interaction of crystalline copper nanoparticles and copper substrate is modeled, using MD simulation. The quantitative results of the impacts at different velocities and temperatures are evaluated using a newly defined flattening aspect ratio. This ratio between the maximum diameter after the impact and the height of the splat increases with increasing Reynolds numbers until a critical value is reached. At higher Reynolds numbers the flattening aspect ratio decreases again, as the kinetic energy of the particle leads to increasing substrate temperature and, therefore, decreases the substrate resistance. Thus, the particle penetrates into the substrate and deforms less.

Item Type: Article
Erschienen: 2014
Creators: Goel, Saurav and Faisal, Nadimul Haque and Ratia, Vilma and Agrawal, Anupam and Stukowski, Alexander
Title: Atomistic investigation on the structure–property relationship during thermal spray nanoparticle impact
Language: English
Abstract:

During thermal spraying, hot particles impact on a colder substrate. This interaction of crystalline copper nanoparticles and copper substrate is modeled, using MD simulation. The quantitative results of the impacts at different velocities and temperatures are evaluated using a newly defined flattening aspect ratio. This ratio between the maximum diameter after the impact and the height of the splat increases with increasing Reynolds numbers until a critical value is reached. At higher Reynolds numbers the flattening aspect ratio decreases again, as the kinetic energy of the particle leads to increasing substrate temperature and, therefore, decreases the substrate resistance. Thus, the particle penetrates into the substrate and deforms less.

Journal or Publication Title: Computational Materials Science
Volume: 84
Publisher: Elsevier Science Publishing
Uncontrolled Keywords: Thermal spray coating, Molecular dynamics, Copper, Particle impact, Flattening aspect ratio
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 08 Jan 2014 11:58
Official URL: http://dx.doi.org/10.1016/j.commatsci.2013.12.011
Identification Number: doi:10.1016/j.commatsci.2013.12.011
Funders: First author (SG) would like to acknowledge the funding support from J M Lessells travel scholarship from the Royal Society of Edinburgh (2013 RSE/J M Lessells Travel Scholarship) and International Research Fellowship account of Queen’s University Belfast
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