Temperature and strain rate dependent tensile properties of titanium carbide/nitride MXenes

被引:3
|
作者
Billah, Md. Maruf [1 ]
Rabbi, M. S. [1 ]
Rahman, Kazi Afzalur [1 ]
Acar, Pinar [2 ]
机构
[1] Chittagong Univ Engn & Technol, Dept Mech Engn, Chattogram 4349, Bangladesh
[2] Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA
关键词
Pristine MXenes; Titanium carbides; Titanium nitrides; Tensile properties; Strain rate sensitivity; Activation energy; EMBEDDED-ATOM-METHOD; TRANSITION-METAL CARBIDES; ELECTRONIC-PROPERTIES; MOLECULAR-DYNAMICS; ELASTIC PROPERTIES; 1ST PRINCIPLES; TIN+1CN N=1; POTENTIALS; LI; CAPACITY;
D O I
10.1016/j.matchemphys.2023.128581
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
MXenes have rapidly gained prominence since their serendipitous discovery in 2011 in the field of 2D materials due to their exceptional properties, which leads to strong applications in energy storage, anti-wear coatings, nanocomposites and electronics sector. This study examined tensile characteristics of wide ranged titanium carbide and nitride pristine MXenes by molecular dynamics investigation where the directional, temperature and strain rate dependencies were explored. The uniaxial tension computations have been performed at temperature of 225-525K with a linear difference of 75K and strain rate of 5 x 10-5 to 1 x 10-2 ps- 1 with an approximate regular logarithmic difference. Afterward a two steps graphical method has been proposed from temperature and strain rate dependencies to calculate the strain rate sensitivity and activation energy for both zigzag and armchair directions by using Arrhenius correlation. The temperature exerts a slight influence on the activation energy, wherein a decrease in temperature results in a reduction of the activation energy. After all, the Ti2X (X = N,C) expressed superior mechanical strength compared to their immediate pristine MXenes.
引用
收藏
页数:17
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