First-principles investigation on the high-pressure phase transitions and elastic constants of chromium nitrides

First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure

The elastic anisotropy and thermodynamic properties of the recently synthesized Pnnm-CN have been investigated using first-principles calculations under high temperature and high pressure. The calculated equilibrium crystal parameters and normalized volume dependence of the resulting pressure agree with available experimental and theoretical results. Within the considered pressure range of 0-90...

First - principles elastic constants and phonons of delta

consequence analysis of the leakage, ignition and explosion during high pressure sour gas injection process to the oil reservoir

there is no doubt that human being needs to become integrated with industry and industry needs to be progressed, daily. on the other hand, serious events in industrial units specially in oil industries has been shown that such damages and events are industry related ones. the consequence of such events and damages which resulted in chemical and poisoned explosions and loss of life and property ...

an investigation of the impact of self monitoring on langauge teachers motivational practice and its effect on learners motivation

the central purpose of this study was to conduct a case study about the role of self monitoring in teacher’s use of motivational strategies. furthermore it focused on how these strategies affected students’ motivational behavior. although many studies have been done to investigate teachers’ motivational strategies use (cheng & d?rnyei, 2007; d?rnyei & csizer, 1998; green, 2001, guilloteaux & d?...

A first-principles approach to finite temperature elastic constants.

A first-principles approach to calculating the elastic stiffness coefficients at finite temperatures was proposed. It is based on the assumption that the temperature dependence of elastic stiffness coefficients mainly results from volume change as a function of temperature; it combines the first-principles calculations of elastic constants at 0 K and the first-principles phonon theory of therma...