Three-body forces and the third-order elastic constants of the rare gas crystals

1979 ◽  
Vol 12 (5) ◽  
pp. 771-782 ◽  
Author(s):  
I J Zucker ◽  
D Paik
2014 ◽  
Vol 1047 ◽  
pp. 65-70 ◽  
Author(s):  
Alpana Tiwari

We have incorporated the translational rotational (TR) coupling effects in the framework of three body force shell model (TSM) to develop an extended TSM (ETSM). This ETSM has been applied to reveal the second order elastic constants (C11, C12and C44) in the dilute regimes 0≤ x ≤ 0.50 as a function of temperature for 10K≤T≤300K. The anomalous elastic behaviour in C44below 100 K has been depicted well by ETSM results in the orientationally disordered (NH4I)x(KI)1-xmixed crystals. In order to present a visual comparison of the TR-coupling effect on second order elastic constants, we have evaluated the SOECs with and without TR coupling term in ETSM. Besides third order elastic constants have also been studied and discussed for concentration range 0≤x≤0.50 as a function of temperature for 10K≤T≤300K.


Author(s):  
Preeti Singh Bahadur

In this paper we have evaluated the pressure derivatives of third order elastic constants in the CsCN material. An extended three body force shell model (ETSM), which incorporates the effects of translational– rotational (TR) coupling, three body interactions (TBI) and anharmonicity, has been applied. The pressure derivatives of TOECs, dc111/dp, dc112/dp, dc166/dp, dc111/dp dc123/dp and dc456/dp show increasing trend with increasing temperature. However their values could not be compared due to lack of experimental data.


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