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Growth study of nanocrystalline Ni and Ni3Al using molecular dynamics

Published online by Cambridge University Press:  26 February 2011

Z. Y. Zhang ,
X. K. Meng ,
J. Wang ,
Hanchen Huang  and
X.-Y. Liu
Z. Y. Zhang
Affiliation:
[email protected], Iowa State University, Ames Laboratory, Metals Development Building Rm 205, Ames, IA, 50011, United States
X. K. Meng
Affiliation:
[email protected], Nanjing University, Department of Materials Science and Engineering, Nanjing, 210093, China, People's Republic of
J. Wang
Affiliation:
[email protected], Rensselaer Polytechnic Institute, Department of Mechanical, Aerospace and Nuclear Engineering, Troy, NY, 12180, United States
Hanchen Huang
Affiliation:
[email protected], Rensselaer Polytechnic Institute, Department of Mechanical, Aerospace and Nuclear Engineering, Troy, NY, 12180, United States
X.-Y. Liu
Affiliation:
[email protected], Nanjing University, Department of Materials Science and Engineering, Nanjing, 210093, China, People's Republic of
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Abstract

The growth of nanocrystalline materials has received much attention recently due to its importance in nanocrystalline thin film properties and fabrications. Research studies of this subject have so far focused on the face-centered-cubic metals. Two mechanisms, grain-rotation induced grain coalescence and curvature-driven grain-boundary migration are considered as the dominant mechanisms in the nanograin growth. In this work, we use molecular dynamics method to simulate the growth of Ni and Ni3Al alloy. We find the above mechanisms can describe the growth behavior well. A detailed comparison of the nanograin growth between the two systems is discussed in terms of grain rotation and grain sliding. We also study the temperature effect and the size effect in the nanograin growth. The tendency of twinning in the nanograin growth is discussed.

Keywords

crystal growthnanostructuresimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 978: Symposium GG – Multiscale Modeling of Materials , 2006 , 0978-GG13-09
Copyright
Copyright © Materials Research Society 2007

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