First Principles Estimation of Bulk Modulus and Theoretical Strength of Titanium Alloys

• Song Yan

  Department of Materials, Queen Mary, University of London Titanium Alloy Laboratory, Institute of Metal Research, Chinese Academy of Sciences

• Yang Rui

  Titanium Alloy Laboratory, Institute of Metal Research, Chinese Academy of Sciences

• Guo Zheng-Xiao

  Department of Materials, Queen Mary, University of London

抄録

Titanium alloys are favorable implant materials for medical applications, due to their desirable mechanical properties and biochemical compatibility. However, current bio-titanium alloys were formulated principally by trial and error, which by no means represents the optimum. Here a theoretical investigation of the influence of alloying elements and interstitial elements on the bulk modulus and theoretical strength of α-titanium was presented. The bulk modulus and theoretical strength were estimated from the binding energy against the unit cell volume curves calculated by means of first principles discrete variational cluster method. The results of the calculation suggested that the 3d elements Cr, Mn, Fe, and Co, as well as all the interstitial elements considered in this study (H, B, C, N and O), are capable of enhancing the relative admissible strain of α-titanium.

収録刊行物

• MATERIALS TRANSACTIONS

  MATERIALS TRANSACTIONS 43 (12), 3028-3031, 2002

  公益社団法人 日本金属学会

キーワード

• bulk modulus
• theoretical strength
• titanium alloy
• biomedical application

詳細情報

• CRID: 1390282679223785728
• NII論文ID: 10012328929
• NII書誌ID: AA1151294X
• DOI: 10.2320/matertrans.43.3028
• COI: 1:CAS:528:DC%2BD3sXhtF2msr8%3D
• ISSN: 13475320
• ISSN: 13459678
• NDL書誌ID: 6395098
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I6395098
• Web Site: https://www.jstage.jst.go.jp/article/matertrans/43/12/43_12_3028/_pdf
• 本文言語コード: en
• データソース種別:
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  • NDL
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  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可