Mixed temperature and pressure derivative of isothermal bulk modulus for Debye like solid

2009 ◽  
Vol 11 (4) ◽  
pp. 918-921
Author(s):  
S.K. Sharma
Keyword(s):  
Bulk Modulus ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative ◽  
Temperature And Pressure

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.

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.  

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.

Pressure-Volume Behavior of Some Ionic Solids and Geophysical Minerals (CsBr)

2016 ◽  
Vol 28 ◽  
pp. 93-97
Author(s):  
Mehra Mahendra ◽  
Seema Rajput
Keyword(s):  
Experimental Data ◽  
High Pressure ◽  
Equation Of State ◽  
Bulk Modulus ◽  
Phenomenological Equation ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative ◽  
Ionic Solids ◽  
The Relationship ◽  
Modified Forms

Various forms of the equation of state for studying high-pressure behavior of solids have been developed by numerous investigators using phenomenological approaches. A common feature of the phenomenological equation is that they present the relationship between pressure and volume which can be expressed analytically involving two quantities only, viz Bo, B0’ respectively, the isothermal bulk modulus and its first pressure derivative, both at zero pressure. The present proposal which intend to compare the efficiency of the four equations under close examination reports the V/Vo versus P derived from the new modified forms of Murnaghan equations Birch equation (BE) and Freund-Ingalls (FIE) equation obtained for the best agreement with the available experimental data.

Volume Dependence of Thermodynamic Properties for Solids at high Temperatures

2014 ◽  
Vol 69 (10-11) ◽  
pp. 532-538
Author(s):  
Guanglei Cui ◽  
Bai Fan ◽  
Zewen Zuo ◽  
Min Gu ◽  
Ruilan Yu
Keyword(s):  
Thermal Expansion ◽  
Sodium Chloride ◽  
Bulk Modulus ◽  
Grüneisen Parameter ◽  
Isothermal Bulk Modulus ◽  
Pressure Derivative ◽  
Gruneisen Parameter ◽  
Computing Model ◽  
Volume Dependence ◽  
Sodium And Potassium

AbstractA new computing model on the volume dependence of the product αKT of the thermal expansion coefficient α and the isothermal bulk modulus KT is proposed straightforward in this paper. Based on this revised formula, the volume dependence of Grüneisen parameter, entropy, Anderson-Grüneisen parameter, and first pressure derivative of bulk modulus, respectively, are thus investigated. The calculated results agree well with the previous work for magnesium oxide, sodium chloride, lithium, sodium, and potassium.

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