C15 NbCr2 Laves phase with mechanical properties beyond Pugh's criterion

Qianxin Long, Xiaowu Nie, Shunli Shang, Jianchuan Wang, Yong Du, Zhanpeng Jin, Zi-kui Liu

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Pugh's criterion in terms of the bulk/shear modulus ratio (B/G) is widely used to distinguish the ductility and brittleness of metals, with the recommended B/G ratio of 1.75 for the boundary ratio between ductility and brittleness. The present first-principles calculations yield a B/G = 3.69 for the C15 Laves phase NbCr2, suggesting the ductility of NbCr2 according to Pugh's criterion. However, experiments indicate that NbCr2 is a brittle phase at room temperature with the fracture toughness of 1.0-1.4 MPa m1/2. NbCr2 is hence a compound with its ductile and brittle behavior beyond Pugh's criterion, and this finding also validates for other Laves phases and compounds. New insight into Pugh's B/G criterion is also discussed.

Original languageEnglish (US)
Pages (from-to)167-173
Number of pages7
JournalComputational Materials Science
Volume121
DOIs
StatePublished - Aug 1 2016

Fingerprint

Laves phases
Mechanical Properties
Ductility
ductility
mechanical properties
Brittleness
Mechanical properties
brittleness
Fracture Toughness
First-principles Calculation
Fracture toughness
Elastic moduli
fracture strength
Metals
Modulus
shear
room temperature
Experiments
metals
Experiment

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

Cite this

Long, Qianxin ; Nie, Xiaowu ; Shang, Shunli ; Wang, Jianchuan ; Du, Yong ; Jin, Zhanpeng ; Liu, Zi-kui. / C15 NbCr2 Laves phase with mechanical properties beyond Pugh's criterion. In: Computational Materials Science. 2016 ; Vol. 121. pp. 167-173.
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abstract = "Pugh's criterion in terms of the bulk/shear modulus ratio (B/G) is widely used to distinguish the ductility and brittleness of metals, with the recommended B/G ratio of 1.75 for the boundary ratio between ductility and brittleness. The present first-principles calculations yield a B/G = 3.69 for the C15 Laves phase NbCr2, suggesting the ductility of NbCr2 according to Pugh's criterion. However, experiments indicate that NbCr2 is a brittle phase at room temperature with the fracture toughness of 1.0-1.4 MPa m1/2. NbCr2 is hence a compound with its ductile and brittle behavior beyond Pugh's criterion, and this finding also validates for other Laves phases and compounds. New insight into Pugh's B/G criterion is also discussed.",
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C15 NbCr2 Laves phase with mechanical properties beyond Pugh's criterion. / Long, Qianxin; Nie, Xiaowu; Shang, Shunli; Wang, Jianchuan; Du, Yong; Jin, Zhanpeng; Liu, Zi-kui.

In: Computational Materials Science, Vol. 121, 01.08.2016, p. 167-173.

Research output: Contribution to journalArticle

TY - JOUR

T1 - C15 NbCr2 Laves phase with mechanical properties beyond Pugh's criterion

AU - Long, Qianxin

AU - Nie, Xiaowu

AU - Shang, Shunli

AU - Wang, Jianchuan

AU - Du, Yong

AU - Jin, Zhanpeng

AU - Liu, Zi-kui

PY - 2016/8/1

Y1 - 2016/8/1

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AB - Pugh's criterion in terms of the bulk/shear modulus ratio (B/G) is widely used to distinguish the ductility and brittleness of metals, with the recommended B/G ratio of 1.75 for the boundary ratio between ductility and brittleness. The present first-principles calculations yield a B/G = 3.69 for the C15 Laves phase NbCr2, suggesting the ductility of NbCr2 according to Pugh's criterion. However, experiments indicate that NbCr2 is a brittle phase at room temperature with the fracture toughness of 1.0-1.4 MPa m1/2. NbCr2 is hence a compound with its ductile and brittle behavior beyond Pugh's criterion, and this finding also validates for other Laves phases and compounds. New insight into Pugh's B/G criterion is also discussed.

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