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

S. Goel (Corresponding Author), N.H. Faisal, V. Ratia, A. Agrawal, A. Stukowski

Research output: Contribution to journalArticleScientificpeer-review

16 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)163-174
JournalComputational Materials Science
Volume84
DOIs
Publication statusPublished - Mar 2014
MoE publication typeA1 Journal article-refereed

Fingerprint

Spray
Nanoparticles
sprayers
Substrate
nanoparticles
Substrates
flattening
Copper
Aspect Ratio
Reynolds number
aspect ratio
Aspect ratio
MD Simulation
Thermal spraying
copper
Decrease
high Reynolds number
spraying
Kinetic energy
Critical value

Keywords

  • Thermal spray coating
  • Molecular dynamics
  • Copper
  • Particle impact
  • Flattening aspect ratio

Cite this

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title = "Atomistic investigation on the structure-property relationship during thermal spray nanoparticle impact",
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.",
keywords = "Thermal spray coating, Molecular dynamics, Copper, Particle impact, Flattening aspect ratio",
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Atomistic investigation on the structure-property relationship during thermal spray nanoparticle impact. / Goel, S. (Corresponding Author); Faisal, N.H.; Ratia, V.; Agrawal, A.; Stukowski, A.

In: Computational Materials Science, Vol. 84, 03.2014, p. 163-174.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Atomistic investigation on the structure-property relationship during thermal spray nanoparticle impact

AU - Goel, S.

AU - Faisal, N.H.

AU - Ratia, V.

AU - Agrawal, A.

AU - Stukowski, A.

PY - 2014/3

Y1 - 2014/3

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AB - 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.

KW - Thermal spray coating

KW - Molecular dynamics

KW - Copper

KW - Particle impact

KW - Flattening aspect ratio

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JO - Computational Materials Science

JF - Computational Materials Science

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