Influence of C, H, N, and O interstitial atoms on deformation mechanism in titanium - First principles calculations of generalized stacking fault energy

Piotr Kwaśniak , Marek Muzyk , Halina Garbacz , Krzysztof Kurzydłowski


The relationship between most common doped elements and type of deformation mechanism in Ti was considered. The generalized stacking fault energy for pure and doped Ti has been calculated using density functional theory. It is shown that the deformation tendency caused by emission of partial dislocations varies with the C, H, O, and N additions and increases in all of the considered elements. The twinnability of Ti is also modified by the presence of interstitial atoms. The results presented in the paper suggest that H addition decreases and C increases twin generation in comparison with pure titanium. © 2012 Elsevier B.V.

Author Piotr Kwaśniak (FMSE / DMD)
Piotr Kwaśniak,,
- Division of Materials Design
, Marek Muzyk (WUT)
Marek Muzyk,,
- Warsaw University of Technology
, Halina Garbacz (FMSE / DMD)
Halina Garbacz,,
- Division of Materials Design
, Krzysztof Kurzydłowski (FMSE / DMD)
Krzysztof Kurzydłowski,,
- Division of Materials Design
Journal seriesMaterials Letters, ISSN 0167-577X, e-ISSN 1873-4979
Issue year2013
ASJC Classification2210 Mechanical Engineering; 2211 Mechanics of Materials; 2500 General Materials Science; 3104 Condensed Matter Physics
Languageen angielski
Score (nominal)35
Score sourcejournalList
ScoreMinisterial score = 35.0, 10-06-2020, ArticleFromJournal
Ministerial score (2013-2016) = 35.0, 10-06-2020, ArticleFromJournal
Publication indicators Scopus Citations = 34; GS Citations = 10.0; Scopus SNIP (Source Normalised Impact per Paper): 2013 = 1.221; WoS Impact Factor: 2013 = 2.269 (2) - 2013=2.288 (5)
Citation count*10 (2015-05-11)
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* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perish system.
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