The present work is focused on the determination of elastic, mechanical, ultrasonic and thermal properties of ScRu intermetallic under the variation of pressure 0–60 GPa and particle size 5–40 nm. Initially, the second order elastic constants (SOECs) have been computed under a potential model approach, in which interaction potential is defined by Coulomb and Born–Mayer potentials. Later on, the estimation of mechanical, ultrasonic and thermo-physical parameters has been performed using SOECs. The ultrasonic velocities are estimated in the same pressure/particle size range for wave propagation along 〈100〉 crystallographic direction. It is found that elastic constants, ultrasonic velocities, Debye average velocity, specific heat at constant volume, thermal energy density, thermal conductivity and melting point enhance with increase in pressure and decay in particle size in chosen intermetallic. The analysis of the obtained results reveals that the elastic, mechanical and thermal properties of ScRu intermetallic shall enhance effectively under pressure in comparison to decay in particle size.

中文翻译：

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ScRu 金属间化合物的超声和热性能的压力和尺寸相关研究

目前的工作重点是在压力 0-60 GPa 和粒径 5-40 nm 变化下测定 ScRu 金属间化合物的弹性、机械、超声和热性能。最初，二阶弹性常数 (SOEC) 是在势模型方法下计算的，其中相互作用势由库仑势和 Born-Mayer 势定义。后来，机械、超声波和热物理参数的估计已使用 SOEC 进行。对于沿<100>结晶方向的波传播，在相同的压力/颗粒尺寸范围内估计超声波速度。发现弹性常数、超声波速度、德拜平均速度、定容比热、热能密度、热导率和熔点随着压力的增加和所选金属间化合物粒径的衰减而增强。对所得结果的分析表明，与粒径衰减相比，ScRu 金属间化合物的弹性、机械和热性能在压力下应有效提高。