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Title: Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron

Abstract

Evolution of an interstitial 1/2⟨111⟩ dislocation loop under tensile, shear, and torsion stresses is studied with molecular statics method. Under a tensile stress, the dependence of ultimate tensile strength on size of loop is calculated. The formation of small shear loops around the initial prismatic loop is confirmed as an intermediate state to form the final dislocation network. Under a shear stress, the rotation of a loop is observed not only by a change of the habit plane but also through a transformation between a shear and a prismatic loop. Under torsion, a perfect BCC crystal may undergo a BCC to FCC or BCC to HCP transformation. The present work indicates that a 1/2⟨111⟩ loop can delay these transformations, resulting in the formation of micro-crack on the surface.

Authors:
 [1];  [2];  [3];  [1];  [2];  [3];  [2];  [1]
  1. School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Shandong Jinan 250100 P.R. China
  2. Institute of Modern Physics, Chinese Academy of Sciences, LanZhou 73000 P.R. China
  3. Pacific Northwest National Laboratory, P. O. Box 999 Richland WA 99352 USA
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC-24)
OSTI Identifier:
1439672
Report Number(s):
PNNL-SA-127921
Journal ID: ISSN 1862-6300; AT2030110
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physica Status Solidi. A, Applications and Materials Science; Journal Volume: 215; Journal Issue: 1
Country of Publication:
United States
Language:
English
Subject:
dislocation loop; torsion; molecular dynamics; micro-crack

Citation Formats

Long, Xue Hao, Wang, Dong, Setyawan, Wahyu, Liu, Peng, Gao, Ning, Kurtz, Richard J., Wang, Zhi Guang, and Wang, Xue Lin. Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron. United States: N. p., 2017. Web. doi:10.1002/pssa.201700494.
Long, Xue Hao, Wang, Dong, Setyawan, Wahyu, Liu, Peng, Gao, Ning, Kurtz, Richard J., Wang, Zhi Guang, & Wang, Xue Lin. Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron. United States. doi:10.1002/pssa.201700494.
Long, Xue Hao, Wang, Dong, Setyawan, Wahyu, Liu, Peng, Gao, Ning, Kurtz, Richard J., Wang, Zhi Guang, and Wang, Xue Lin. Tue . "Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron". United States. doi:10.1002/pssa.201700494.
@article{osti_1439672,
title = {Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron},
author = {Long, Xue Hao and Wang, Dong and Setyawan, Wahyu and Liu, Peng and Gao, Ning and Kurtz, Richard J. and Wang, Zhi Guang and Wang, Xue Lin},
abstractNote = {Evolution of an interstitial 1/2⟨111⟩ dislocation loop under tensile, shear, and torsion stresses is studied with molecular statics method. Under a tensile stress, the dependence of ultimate tensile strength on size of loop is calculated. The formation of small shear loops around the initial prismatic loop is confirmed as an intermediate state to form the final dislocation network. Under a shear stress, the rotation of a loop is observed not only by a change of the habit plane but also through a transformation between a shear and a prismatic loop. Under torsion, a perfect BCC crystal may undergo a BCC to FCC or BCC to HCP transformation. The present work indicates that a 1/2⟨111⟩ loop can delay these transformations, resulting in the formation of micro-crack on the surface.},
doi = {10.1002/pssa.201700494},
journal = {Physica Status Solidi. A, Applications and Materials Science},
number = 1,
volume = 215,
place = {United States},
year = {Tue Nov 07 00:00:00 EST 2017},
month = {Tue Nov 07 00:00:00 EST 2017}
}