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
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