First principles study of the elastic properties of magnesium and iron based bio-resorbable alloys

被引：10
|
作者：
Velikokhatnyi, Oleg I. [1 ,4 ]
Kumta, Prashant N. [1 ,2 ,3 ,4 ]
机构：
[1] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15261 USA
[2] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA
[3] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA
[4] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA
来源：
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS | 2018年 / 230卷
基金：
美国国家科学基金会;
关键词：
Bio-resorbable Mg-alloys and Fe-alloys; Density functional theory; Elastic properties; Ductility; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MG; BIOMATERIALS; ELEMENTS; BIODEGRADATION; 1ST-PRINCIPLES; CORROSION; MANGANESE;
D O I：
10.1016/j.mseb.2017.12.024
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In the present study, the Density Functional Theory (DFT) implemented in the VASP package has been used to investigate the effects of alloying of different elements deemed biocompatible (Ca, Zn, Li, Zr, Y, Sr, Mn, Ag, RE) when introduced into the Mg and Fe crystal lattice. In particular, the study has been conducted to investigate the general elastic properties, such as bulk modulus, shear modulus, Young's modulus and Poisson's ratio of various Mg- and Fe-based alloys, the results serving to identify candidate bio-resorbable materials potentially suitable for cardiovascular, bronchotracheal, orthopedic and craniofacial applications.
引用
收藏
页码：20 / 23
页数：4
相关论文
共 50 条
  • [31] FIRST-PRINCIPLES STUDY OF ELECTRONIC STRUCTURAL, ELASTIC, AND THERMODYNAMIC PROPERTIES OF Sn-Bi ALLOYS
    Du, X. M.
    Qi, H. T.
    Wu, W. Z.
    Zhen, K. F.
    Guo, G. S.
    DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2019, 14 (02) : 427 - 437
  • [32] Elastic Properties Of Sulphur And Selenium Doped Ternary PbTe Alloys By First Principles
    Bali, Ashoka
    Chetty, Raju
    Mallik, Ramesh Chandra
    SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B, 2014, 1591 : 1118 - 1120
  • [33] First principles study on interstitial C and substitutional Mn in bcc iron: structural stability and elastic properties
    Kou, B.
    Kou, Z.
    Liu, Y.
    Han, P.
    MATERIALS RESEARCH INNOVATIONS, 2014, 18 : 775 - 779
  • [34] First-principles study of solute-solute binding in magnesium alloys
    Liu, Guobao
    Zhang, Jing
    Dou, Yuchen
    COMPUTATIONAL MATERIALS SCIENCE, 2015, 103 : 97 - 104
  • [35] First-principles study of typical precipitates in creep resistant magnesium alloys
    Zhang, Caili
    Han, Peide
    Yan, Xin
    Wang, Can
    Xia, Linqing
    Xu, Bingshe
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2009, 42 (12)
  • [36] Structural, elastic and electronic properties of AIN:: A first principles study
    Ciftci, Y. O.
    Colakoglu, K.
    Deligoz, E.
    PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 4, NO 2, 2007, 4 (02): : 234 - +
  • [37] First-principles study on the elastic properties of platinum nitride
    Fan, CZ
    Sun, LL
    Wang, YX
    Wei, ZJ
    Liu, RP
    Zeng, SY
    Wang, WK
    CHINESE PHYSICS LETTERS, 2005, 22 (10) : 2637 - 2638
  • [38] First-principles study of the structural and elastic properties of zirconia
    Fadda, Giuseppe
    Colombo, Luciano
    Zanzotto, Giovanni
    PHYSICAL REVIEW B, 2009, 79 (21):
  • [39] Electronic Structure and Elastic Properties of ZnSe: A First Principles Study
    Mund, H. S.
    3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER & APPLIED PHYSICS (ICC-2019), 2020, 2220
  • [40] First Principles Study of the Structure and Elastic Properties of Thorium Metal
    Startt, Jacob K.
    Deo, Chaitanya S.
    MRS ADVANCES, 2016, 1 (35): : 2447 - 2452
12345