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Title: A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe 2As 2

In this paper, the plastic deformation and fracture mechanisms in single-crystalline CaFe 2As 2 has been studied using nanoindentation and density functional theory simulations. CaFe 2As 2 single crystals were grown in a Sn-flux, resulting in homogeneous and nearly defect-free crystals. Nanoindentation along the [001] direction produces strain bursts, radial cracking, and lateral cracking. Ideal cleavage simulations along the [001] and [100] directions using density functional theory calculations revealed that cleavage along the [001] direction requires a much lower stress than cleavage along the [100] direction. This strong anisotropy of cleavage strength implies that CaFe 2As 2 has an atomic-scale layered structure, which typically exhibits lateral cracking during nanoindentation. This special layered structure results from weak atomic bonding between the (001) Ca and Fe 2As 2 layers.
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [2] ;  [3] ;  [1] ; ORCiD logo [1]
  1. Univ. of Connecticut, Storrs, CT (United States)
  2. Colorado State Univ., Fort Collins, CO (United States)
  3. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Report Number(s):
IS-J-9667
Journal ID: ISSN 1047-4838; PII: 2851
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
JOM. Journal of the Minerals, Metals & Materials Society
Additional Journal Information:
Journal Name: JOM. Journal of the Minerals, Metals & Materials Society; Journal ID: ISSN 1047-4838
Publisher:
Springer
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; intermetallic compound; nanoindentation; plasticity; and fracture
OSTI Identifier:
1441005

Frawley, Keara G., Bakst, Ian, Sypek, John T., Vijayan, Sriram, Weinberger, Christopher R., Canfield, Paul C., Aindow, Mark, and Lee, Seok -Woo. A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe2As2. United States: N. p., Web. doi:10.1007/s11837-018-2851-y.
Frawley, Keara G., Bakst, Ian, Sypek, John T., Vijayan, Sriram, Weinberger, Christopher R., Canfield, Paul C., Aindow, Mark, & Lee, Seok -Woo. A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe2As2. United States. doi:10.1007/s11837-018-2851-y.
Frawley, Keara G., Bakst, Ian, Sypek, John T., Vijayan, Sriram, Weinberger, Christopher R., Canfield, Paul C., Aindow, Mark, and Lee, Seok -Woo. 2018. "A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe2As2". United States. doi:10.1007/s11837-018-2851-y.
@article{osti_1441005,
title = {A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe2As2},
author = {Frawley, Keara G. and Bakst, Ian and Sypek, John T. and Vijayan, Sriram and Weinberger, Christopher R. and Canfield, Paul C. and Aindow, Mark and Lee, Seok -Woo},
abstractNote = {In this paper, the plastic deformation and fracture mechanisms in single-crystalline CaFe2As2 has been studied using nanoindentation and density functional theory simulations. CaFe2As2 single crystals were grown in a Sn-flux, resulting in homogeneous and nearly defect-free crystals. Nanoindentation along the [001] direction produces strain bursts, radial cracking, and lateral cracking. Ideal cleavage simulations along the [001] and [100] directions using density functional theory calculations revealed that cleavage along the [001] direction requires a much lower stress than cleavage along the [100] direction. This strong anisotropy of cleavage strength implies that CaFe2As2 has an atomic-scale layered structure, which typically exhibits lateral cracking during nanoindentation. This special layered structure results from weak atomic bonding between the (001) Ca and Fe2As2 layers.},
doi = {10.1007/s11837-018-2851-y},
journal = {JOM. Journal of the Minerals, Metals & Materials Society},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {4}
}

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