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Title: Edge cracks in nickel and aluminium single crystals: A molecular dynamics study

Abstract

A molecular dynamics study of edge cracks in Ni and Al single crystals under mode-I loading conditions is presented. Simulations are performed using embedded-atom method potentials for Ni and Al at a temperature of 0.5 K. The results reveal that Ni and Al show different fracture mechanisms. Overall failure behavior of Ni is brittle, while fracture in Al proceeds through void nucleation and coalescence with a zig-zag pattern of crack growth. The qualitative nature of results is discussed in the context of vacancy-formation energies and surface energies of the two FCC metals.

Authors:
; ;  [1];  [2]
  1. Refueling Technology Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)
  2. Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)
Publication Date:
OSTI Identifier:
22608764
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1731; Journal Issue: 1; Conference: DAE solid state physics symposium 2015, Uttar Pradesh (India), 21-25 Dec 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM; ATOMS; COALESCENCE; CRACK PROPAGATION; CRACKS; FCC LATTICES; FORMATION HEAT; FRACTURES; MOLECULAR DYNAMICS METHOD; MONOCRYSTALS; NICKEL; NUCLEATION; SIMULATION; SURFACE ENERGY; SURFACES; TEMPERATURE RANGE 0000-0013 K; VACANCIES

Citation Formats

Chandra, Sagar, Chavan, V. M., Patel, R. J., and Samal, M. K. Edge cracks in nickel and aluminium single crystals: A molecular dynamics study. United States: N. p., 2016. Web. doi:10.1063/1.4948007.
Chandra, Sagar, Chavan, V. M., Patel, R. J., & Samal, M. K. Edge cracks in nickel and aluminium single crystals: A molecular dynamics study. United States. https://doi.org/10.1063/1.4948007
Chandra, Sagar, Chavan, V. M., Patel, R. J., and Samal, M. K. 2016. "Edge cracks in nickel and aluminium single crystals: A molecular dynamics study". United States. https://doi.org/10.1063/1.4948007.
@article{osti_22608764,
title = {Edge cracks in nickel and aluminium single crystals: A molecular dynamics study},
author = {Chandra, Sagar and Chavan, V. M. and Patel, R. J. and Samal, M. K.},
abstractNote = {A molecular dynamics study of edge cracks in Ni and Al single crystals under mode-I loading conditions is presented. Simulations are performed using embedded-atom method potentials for Ni and Al at a temperature of 0.5 K. The results reveal that Ni and Al show different fracture mechanisms. Overall failure behavior of Ni is brittle, while fracture in Al proceeds through void nucleation and coalescence with a zig-zag pattern of crack growth. The qualitative nature of results is discussed in the context of vacancy-formation energies and surface energies of the two FCC metals.},
doi = {10.1063/1.4948007},
url = {https://www.osti.gov/biblio/22608764}, journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1731,
place = {United States},
year = {Mon May 23 00:00:00 EDT 2016},
month = {Mon May 23 00:00:00 EDT 2016}
}