Cleavage fracture in Ti3SiC2 from first-principles

N. I. Medvedeva, Arthur J Freeman

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

Using ab initio full-potential linearized plane wave calculations, we studied the cleavage characteristics for three basal planes in Ti3SiC2 and found that the habit cleavage should be between the Ti and Si hexagonal layers. The estimations of fracture properties under tensile stress showed a significant stretching of the Ti-Si bonds before failure that may explain the damage tolerance of Ti3SiC2.

Original languageEnglish
Pages (from-to)671-674
Number of pages4
JournalScripta Materialia
Volume58
Issue number8
DOIs
Publication statusPublished - Apr 2008

Fingerprint

Damage tolerance
Tensile stress
Stretching
cleavage
habits
tensile stress
plane waves
damage
Ti3SiC2

Keywords

  • First-principle electron theory
  • Fracture
  • Transition metal silicides

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Science(all)
  • Metals and Alloys

Cite this

Cleavage fracture in Ti3SiC2 from first-principles. / Medvedeva, N. I.; Freeman, Arthur J.

In: Scripta Materialia, Vol. 58, No. 8, 04.2008, p. 671-674.

Research output: Contribution to journalArticle

Medvedeva, N. I. ; Freeman, Arthur J. / Cleavage fracture in Ti3SiC2 from first-principles. In: Scripta Materialia. 2008 ; Vol. 58, No. 8. pp. 671-674.
@article{56e58e08600146dba98368f6fea11618,
title = "Cleavage fracture in Ti3SiC2 from first-principles",
abstract = "Using ab initio full-potential linearized plane wave calculations, we studied the cleavage characteristics for three basal planes in Ti3SiC2 and found that the habit cleavage should be between the Ti and Si hexagonal layers. The estimations of fracture properties under tensile stress showed a significant stretching of the Ti-Si bonds before failure that may explain the damage tolerance of Ti3SiC2.",
keywords = "First-principle electron theory, Fracture, Transition metal silicides",
author = "Medvedeva, {N. I.} and Freeman, {Arthur J}",
year = "2008",
month = "4",
doi = "10.1016/j.scriptamat.2007.11.043",
language = "English",
volume = "58",
pages = "671--674",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier Limited",
number = "8",

}

TY - JOUR

T1 - Cleavage fracture in Ti3SiC2 from first-principles

AU - Medvedeva, N. I.

AU - Freeman, Arthur J

PY - 2008/4

Y1 - 2008/4

N2 - Using ab initio full-potential linearized plane wave calculations, we studied the cleavage characteristics for three basal planes in Ti3SiC2 and found that the habit cleavage should be between the Ti and Si hexagonal layers. The estimations of fracture properties under tensile stress showed a significant stretching of the Ti-Si bonds before failure that may explain the damage tolerance of Ti3SiC2.

AB - Using ab initio full-potential linearized plane wave calculations, we studied the cleavage characteristics for three basal planes in Ti3SiC2 and found that the habit cleavage should be between the Ti and Si hexagonal layers. The estimations of fracture properties under tensile stress showed a significant stretching of the Ti-Si bonds before failure that may explain the damage tolerance of Ti3SiC2.

KW - First-principle electron theory

KW - Fracture

KW - Transition metal silicides

UR - http://www.scopus.com/inward/record.url?scp=39149100283&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=39149100283&partnerID=8YFLogxK

U2 - 10.1016/j.scriptamat.2007.11.043

DO - 10.1016/j.scriptamat.2007.11.043

M3 - Article

VL - 58

SP - 671

EP - 674

JO - Scripta Materialia

JF - Scripta Materialia

SN - 1359-6462

IS - 8

ER -