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Pressure-Dependent Elastic, Mechanical, Thermo-Physical and Ultrasonic Properties of Titanium Diboride
MAPAN ( IF 1.0 ) Pub Date : 2022-08-04 , DOI: 10.1007/s12647-022-00590-1
Aadesh K. Prajapati , Sachin Rai , Pramod K. Yadawa

Titanium diboride's thermo-physical and ultrasonic properties are theoretically studied at various pressures. The Lennard–Jones Potential model technique approach is used to evaluate the second and third-order elastic constants (SOECs and TOECs) of TiB2 compound at different pressures (0–100GPa). The evaluated SOECs are used to determine particular orientation with the unique axis. The pressure-dependent elastic constants are studied, and it was observed that the elastic constants of the titanium diboride compound increase monotonically as pressure increases. The hexagonal TiB2 compound is mechanically stable at pressures according to Born elastic stability criteria. The hardness, ultrasonic attenuation, thermal conductivity, anisotropy constants, ultrasonic velocity and melting point of TiB2 compound are evaluated using estimated SOECs. The computation has been also satisfactory in estimating the density, lattice characteristics and Debye temperature under various pressures. The Voigt–Reuss–Hill method was used to compute elastic constants such as Young's modulus (Y), bulk modulus (B), shear modulus (G), and Poisson's ratio under the same pressure range.



中文翻译:

二硼化钛的压力相关弹性、机械、热物理和超声性能

二硼化钛在各种压力下的热物理和超声性能进行了理论上的研究。Lennard-Jones 势模型技术方法用于评估 TiB 2化合物在不同压力(0-100GPa)下的二阶和三阶弹性常数(SOEC 和TOEC)。评估的 SOEC 用于确定具有唯一轴的特定方向。研究了压力相关的弹性常数,观察到二硼化钛化合物的弹性常数随着压力的增加而单调增加。六方 TiB 2根据 Born 弹性稳定性标准,化合物在压力下具有机械稳定性。使用估计的 SOEC 评估 TiB 2化合物的硬度、超声衰减、热导率、各向异性常数、超声速度和熔点。该计算在估计各种压力下的密度、晶格特性和德拜温度方面也令人满意。Voigt-Reuss-Hill 方法用于计算相同压力范围下的杨氏模量 (Y)、体积模量 (B)、剪切模量 (G) 和泊松比等弹性常数。

更新日期:2022-08-06
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