Role of Lu and la in the intergranular films on growth of the prism surface in β-Si3N4: A molecular dynamics study

Yun Jiang; Stephen H. Garofalini

doi:https://doi.org/10.1016/j.scriptamat.2015.09.043

Role of Lu and la in the intergranular films on growth of the prism surface in β-Si₃N₄: A molecular dynamics study

Yun Jiang, Stephen H. Garofalini

School of Engineering, Materials Science & Engineering

Rutgers, The State University

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

The different roles of Lu and La in the intergranular film in silicon nitride on the growth morphology are investigated via molecular dynamics simulations. While advanced microscopy shows each rare earth on the prism surface at room temperature, each additive affects the outward (perpendicular) growth of the surface differently. The simulations show the effect of elevated temperature on the adsorption of La and Lu on this surface that affects growth and provides the atomistic mechanism for the different growth morphology.

Original language	English (US)
Pages (from-to)	97-100
Number of pages	4
Journal	Scripta Materialia
Volume	113
DOIs	https://doi.org/10.1016/j.scriptamat.2015.09.043
State	Published - 2016

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

Keywords

Interfaces
Intergranular films
Molecular simulations
Rare earths

Access to Document

https://doi.org/10.1016/j.scriptamat.2015.09.043

Cite this

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title = "Role of Lu and la in the intergranular films on growth of the prism surface in β-Si3N4: A molecular dynamics study",

abstract = "The different roles of Lu and La in the intergranular film in silicon nitride on the growth morphology are investigated via molecular dynamics simulations. While advanced microscopy shows each rare earth on the prism surface at room temperature, each additive affects the outward (perpendicular) growth of the surface differently. The simulations show the effect of elevated temperature on the adsorption of La and Lu on this surface that affects growth and provides the atomistic mechanism for the different growth morphology.",

keywords = "Interfaces, Intergranular films, Molecular simulations, Rare earths",

author = "Yun Jiang and Garofalini, {Stephen H.}",

note = "Funding Information: This work was supported by the DOE, OBES, Division of Materials Sciences , grant number DE-FG02-06ER46336 . Publisher Copyright: {\textcopyright} 2015 Elsevier Ltd. All rights reserved.",

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T2 - A molecular dynamics study

AU - Jiang, Yun

AU - Garofalini, Stephen H.

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AB - The different roles of Lu and La in the intergranular film in silicon nitride on the growth morphology are investigated via molecular dynamics simulations. While advanced microscopy shows each rare earth on the prism surface at room temperature, each additive affects the outward (perpendicular) growth of the surface differently. The simulations show the effect of elevated temperature on the adsorption of La and Lu on this surface that affects growth and provides the atomistic mechanism for the different growth morphology.

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KW - Intergranular films

KW - Molecular simulations

KW - Rare earths

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