Abstract
A computer program in MATLAB is developed for the numerical computation of ultrasonic properties in Pu- monochalcogenides in present investigation in the temperature range 100-300K along , and 111> directions. The program calculates the second and third order elastic constants, relaxation time, ultrasonic coupling constants and ultrasonic attenuation by considering the interaction of sound wave with complete spectrum of thermal phonon modes and by taking two basic parameters i.e., nearest neighbour distance and hardness parameters. The program has been successful for the study of (i) temperature dependence of the second and third order elastic constants, (ii) temperature and crystallographic dependence of ultrasonic velocities for longitudinal and shear waves with thermal relaxation time, ultrasonic coupling constants and ultrasonic attenuation for PuS, PuSe and PuTe. The behaviour of acoustic parameters as a function of higher temperature has been discussed in correlation with other thermophysical parameters.
Highlights
Almost all the monochalcogenides, both the lanthanides as well as actinides crystallize in the cubic NaCl-type structure
For the evaluation of ultrasonic properties we have evaluated temperature dependent SOECs and TOECs following Brugger’s definition of elastic constants [13,14] .The obtained values of SOECs and TOECs have been used to find out the values of various thermal properties of the materials
The mechanical strength and durability of the material are related to their elastic constants
Summary
Both the lanthanides as well as actinides crystallize in the cubic NaCl-type structure. Their transport properties can be very complex. The ultrasonic and elastic properties are the versatile tools to characterize the material behavior. These properties are well connected to thermal conductivity, specific heat, heat capacity, pressure and electrical resistivity. Petit et al studied the electronic and magnetic properties of plutonium monochalcogenides using ab-initio selfinteraction corrected (SIC) local spin density (LSD) approximation [1]. The semimetallic nature of plutonium monochalcogenides have been proved by Oppeneer et al on the basis of electronic structure calculation [2]. The secondand third-order elastic constants (SOECs and TOECs) have been evaluated at different temperatures using Coulomb and Born-Mayer potential and two basic parameters i.e. nearest neighbour distance and hardness parameter as input
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