Extreme elastic anisotropy of cementite, Fe3C: First-principles calculations and experimental evidence

M. Nikolussi; S. L. Shang; T. Gressmann; A. Leineweber; E. J. Mittemeijer; Y. Wang; Z. K. Liu

doi:10.1016/j.scriptamat.2008.06.015

Extreme elastic anisotropy of cementite, Fe₃C: First-principles calculations and experimental evidence

M. Nikolussi
, S. L. Shang
, T. Gressmann
, A. Leineweber
, E. J. Mittemeijer
, Y. Wang
, Z. K. Liu

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

86 Scopus citations

Abstract

First-principles results for the full set of elastic constants (stiffnesses) c_ij of cementite, Fe₃C, revealed an extreme elastic anisotropy with a very small c₄₄ amounting to only about 1/10 of c₅₅ and c₆₆. Synchrotron X-ray diffraction stress measurements were performed on Fe₃C layers grown on α-Fe exhibiting a planar state of compressive residual stress. These data exhibit a characteristic hkl-dependence of the stress-induced reflection shifts, and provide experimental proof for the extreme elastic anisotropy of Fe₃C.

Original language	English (US)
Pages (from-to)	814-817
Number of pages	4
Journal	Scripta Materialia
Volume	59
Issue number	8
DOIs	https://doi.org/10.1016/j.scriptamat.2008.06.015
State	Published - Oct 2008

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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10.1016/j.scriptamat.2008.06.015

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@article{0a67a51d712e43109de4718516e0d69c,

title = "Extreme elastic anisotropy of cementite, Fe3C: First-principles calculations and experimental evidence",

abstract = "First-principles results for the full set of elastic constants (stiffnesses) cij of cementite, Fe3C, revealed an extreme elastic anisotropy with a very small c44 amounting to only about 1/10 of c55 and c66. Synchrotron X-ray diffraction stress measurements were performed on Fe3C layers grown on α-Fe exhibiting a planar state of compressive residual stress. These data exhibit a characteristic hkl-dependence of the stress-induced reflection shifts, and provide experimental proof for the extreme elastic anisotropy of Fe3C.",

author = "M. Nikolussi and Shang, \{S. L.\} and T. Gressmann and A. Leineweber and Mittemeijer, \{E. J.\} and Y. Wang and Liu, \{Z. K.\}",

note = "Funding Information: First-principles calculations were performed on resources of the NERSC, which is supported by the Office of Science of the US DOE under Contract No. DE-AC02-05CH11231. S.L.S., Y.W. and Z.K.L. at the Pennsylvania State University were partially supported by the National Science Foundation through Grants Nos. DMR-0205232 and 0510180. The authors thank Dr. D. Trots and M. Hinterstein (TU Darmstadt/HASYLAB) for their support with the synchrotron measurements.",

year = "2008",

month = oct,

doi = "10.1016/j.scriptamat.2008.06.015",

language = "English (US)",

volume = "59",

pages = "814--817",

journal = "Scripta Materialia",

issn = "1359-6462",

publisher = "Acta Materialia Inc",

number = "8",

}

TY - JOUR

T1 - Extreme elastic anisotropy of cementite, Fe3C

T2 - First-principles calculations and experimental evidence

AU - Nikolussi, M.

AU - Shang, S. L.

AU - Gressmann, T.

AU - Leineweber, A.

AU - Mittemeijer, E. J.

AU - Wang, Y.

AU - Liu, Z. K.

N1 - Funding Information: First-principles calculations were performed on resources of the NERSC, which is supported by the Office of Science of the US DOE under Contract No. DE-AC02-05CH11231. S.L.S., Y.W. and Z.K.L. at the Pennsylvania State University were partially supported by the National Science Foundation through Grants Nos. DMR-0205232 and 0510180. The authors thank Dr. D. Trots and M. Hinterstein (TU Darmstadt/HASYLAB) for their support with the synchrotron measurements.

PY - 2008/10

Y1 - 2008/10

N2 - First-principles results for the full set of elastic constants (stiffnesses) cij of cementite, Fe3C, revealed an extreme elastic anisotropy with a very small c44 amounting to only about 1/10 of c55 and c66. Synchrotron X-ray diffraction stress measurements were performed on Fe3C layers grown on α-Fe exhibiting a planar state of compressive residual stress. These data exhibit a characteristic hkl-dependence of the stress-induced reflection shifts, and provide experimental proof for the extreme elastic anisotropy of Fe3C.

AB - First-principles results for the full set of elastic constants (stiffnesses) cij of cementite, Fe3C, revealed an extreme elastic anisotropy with a very small c44 amounting to only about 1/10 of c55 and c66. Synchrotron X-ray diffraction stress measurements were performed on Fe3C layers grown on α-Fe exhibiting a planar state of compressive residual stress. These data exhibit a characteristic hkl-dependence of the stress-induced reflection shifts, and provide experimental proof for the extreme elastic anisotropy of Fe3C.

UR - https://www.scopus.com/pages/publications/48749107148

UR - https://www.scopus.com/pages/publications/48749107148#tab=citedBy

U2 - 10.1016/j.scriptamat.2008.06.015

DO - 10.1016/j.scriptamat.2008.06.015

M3 - Article

AN - SCOPUS:48749107148

SN - 1359-6462

VL - 59

SP - 814

EP - 817

JO - Scripta Materialia

JF - Scripta Materialia

IS - 8

ER -

Extreme elastic anisotropy of cementite, Fe₃C: First-principles calculations and experimental evidence

Abstract

All Science Journal Classification (ASJC) codes

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