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Title: Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation.

Abstract

The mechanical behaviour of nanocrystalline materials (that is, polycrystals with a grain size of less than 100 nm) remains controversial. Although it is commonly accepted that the intrinsic deformation behaviour of these materials arises from the interplay between dislocation and grain-boundary processes, little is known about the specific deformation mechanisms. Here we use large-scale molecular-dynamics simulations to elucidate this intricate interplay during room-temperature plastic deformation of model nanocrystalline Al microstructures. We demonstrate that, in contrast to coarse-grained Al, mechanical twinning may play an important role in the deformation behaviour of nanocrystalline Al. Our results illustrate that this type of simulation has now advanced to a level where it provides a powerful new tool for elucidating and quantifying-in a degree of detail not possible experimentally-the atomic-level mechanisms controlling the complex dislocation and grain-boundary processes in heavily deformed materials with a submicrometre grain size.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
949674
Report Number(s):
ANL/MSD/JA-43177
TRN: US201012%%454
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Nature Mater.
Additional Journal Information:
Journal Volume: 1; Journal Issue: 1 ; Sep. 2002
Country of Publication:
United States
Language:
ENGLISH
Subject:
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; ALUMINIUM; DEFORMATION; DISLOCATIONS; GRAIN SIZE; PLASTICS; POLYCRYSTALS; SIMULATION; TWINNING

Citation Formats

Yamakov, V, Wolf, D, Phillpot, S R, Mukherjee, A K, Gleiter, H, Materials Science Division, Univ. of California, and Karlsruhe, Forschungszentrum. Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation.. United States: N. p., 2002. Web. doi:10.1038/nmat700.
Yamakov, V, Wolf, D, Phillpot, S R, Mukherjee, A K, Gleiter, H, Materials Science Division, Univ. of California, & Karlsruhe, Forschungszentrum. Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation.. United States. doi:10.1038/nmat700.
Yamakov, V, Wolf, D, Phillpot, S R, Mukherjee, A K, Gleiter, H, Materials Science Division, Univ. of California, and Karlsruhe, Forschungszentrum. Sun . "Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation.". United States. doi:10.1038/nmat700.
@article{osti_949674,
title = {Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation.},
author = {Yamakov, V and Wolf, D and Phillpot, S R and Mukherjee, A K and Gleiter, H and Materials Science Division and Univ. of California and Karlsruhe, Forschungszentrum},
abstractNote = {The mechanical behaviour of nanocrystalline materials (that is, polycrystals with a grain size of less than 100 nm) remains controversial. Although it is commonly accepted that the intrinsic deformation behaviour of these materials arises from the interplay between dislocation and grain-boundary processes, little is known about the specific deformation mechanisms. Here we use large-scale molecular-dynamics simulations to elucidate this intricate interplay during room-temperature plastic deformation of model nanocrystalline Al microstructures. We demonstrate that, in contrast to coarse-grained Al, mechanical twinning may play an important role in the deformation behaviour of nanocrystalline Al. Our results illustrate that this type of simulation has now advanced to a level where it provides a powerful new tool for elucidating and quantifying-in a degree of detail not possible experimentally-the atomic-level mechanisms controlling the complex dislocation and grain-boundary processes in heavily deformed materials with a submicrometre grain size.},
doi = {10.1038/nmat700},
journal = {Nature Mater.},
number = 1 ; Sep. 2002,
volume = 1,
place = {United States},
year = {2002},
month = {9}
}