scholarly journals Temperature dependence of the first pressure derivative of the isothermal bulk modulus for solid materials at zero pressure: Application to MgO

2005 ◽  
Vol 110 (B5) ◽  
Author(s):  
Heping Li
Keyword(s):  
Bulk Modulus ◽  
Temperature Dependence ◽  
Isothermal Bulk Modulus ◽  
Solid Materials ◽  
Pressure Derivative ◽  
Pressure Application

Equation of state and some other properties of rock-salt AlN

2018 ◽  
Vol 6 (1) ◽  
pp. 49
Author(s):  
Salah Daoud ◽  
Rabie Mezouar ◽  
Abdelfateh Benmakhlouf
Keyword(s):  
Heat Capacity ◽  
High Pressure ◽  
Equation Of State ◽  
Bulk Modulus ◽  
Temperature Dependence ◽  
Rock Salt ◽  
Thermophysical Properties ◽  
Constant Pressure ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative

The object of the present work is to study the equation of state (EOS) and the temperature dependence of the vibrational constant pressure heat capacity, the adiabatic bulk modulus Bs and the pressure derivative of the isothermal bulk modulus of cubic rock-salt Aluminum nitride under high pressure up to 100 GPa. In addition, the isothermal bulk modulus and the Debye temperature θD versus pressure at 1800 K are presented. Some structural and thermophysical properties used here are taken from our previous paper published in J. Electron. Mater. (2018) DOI: 10.1007/s11664-018-6169-x. The results obtained are analyzed and compared with other data of the literature.  

Structural and Vibrational Properties of Manganese Sulfide

2013 ◽  
Vol 209 ◽  
pp. 186-189
Author(s):  
Brijmohan Y. Thakore ◽  
A.Y. Vahora ◽  
S.G. Khambholja ◽  
A.R. Jani
Keyword(s):  
Bulk Modulus ◽  
Density Functional ◽  
Local Density ◽  
Theoretical Calculations ◽  
Manganese Sulfide ◽  
High Symmetry ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative ◽  
Density Functional Perturbation Theory ◽  
Quantum Espresso

Structural properties of MnS have been studied using plane wave pseudopotential density functional theory as implemented in Quantum Espresso code. Local density approximation (LDA) along with ultrasoft pseudopotential has been used for total energy calculations. The calculated total energies are fitted to Murnaghan equation of state to calculate equilibrium lattice constant, isothermal bulk modulus and pressure derivative of isothermal bulk modulus for NaCl-type structure of MnS and compared with previous experimental and theoretical calculations and good agreement is achieved with those results. Phonon frequencies have also been derived for B1 phase of MnS along high symmetry directions using the density functional perturbation theory at ambient condition.

Analysis of elastic constants and thermal energy of ionic materials

2011 ◽  
Vol 89 (11) ◽  
pp. 1111-1117
Author(s):  
S.K. Srivastava
Keyword(s):  
Bulk Modulus ◽  
Temperature Dependence ◽  
Linear Relationship ◽  
Elastic Constants ◽  
Thermal Energy ◽  
Room Temperature ◽  
Isothermal Bulk Modulus ◽  
Volume Dependence ◽  
Ionic Materials ◽  
Different Temperatures

Expressions for the temperature dependence of elastic constants have been formulated by taking into account volume dependence of the Anderson–Grüneisen parameters. These expressions have been applied to ionic materials such as NaCl, KCl, MgO, and CaO to determine elastic constants at different temperatures. It is found that the linear relationship between isothermal bulk modulus and thermal energy (Eth) is also applicable to other elastic constants. This linear relationship is valid, starting from room temperature.

Isothermal bulk modulus and its first pressure derivative of NaCl at high pressure and high temperature

2012 ◽  
Vol 21 (3) ◽  
pp. 037103 ◽  
Author(s):  
Ting Song ◽  
Xiao-Wei Sun ◽  
Zi-Jiang Liu ◽  
Jian-Feng Li ◽  
Jun-Hong Tian
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Bulk Modulus ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative

Analysis of a new two-parameter equation of state for MgO

2011 ◽  
Vol 89 (6) ◽  
pp. 709-712 ◽  
Author(s):  
Quan Liu
Keyword(s):  
Numerical Analysis ◽  
Equation Of State ◽  
Bulk Modulus ◽  
Potential Theory ◽  
First Principles ◽  
High Pressures ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative ◽  
Parameter Equation ◽  
Two Parameter

In this paper, a new two-parameter equation of state (EOS) is developed on the basis of lattice potential theory. The expressions are also obtained for isothermal bulk modulus and its pressure derivative. Numerical analysis is presented for MgO at high pressures (up to 260 GPa) and high temperatures (up to 2000 K). Results based on the new EOS are found to compare well with the corresponding values derived from a first principles approach.

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