Formulation for the prediction of melting temperature of metallic solids using suitable equation of states

P Singh, BK Pandey, S Mishra, AP Srivastava - Computational Condensed …, 2023 - Elsevier
We presents expressions for the pressure dependence of the melting temperature of metals
using Murnaghan, Usual-Taits, and Kholiya equations of state. The predicted model …

[HTML][HTML] Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo

JA Santana, JT Krogel, J Kim, PRC Kent… - The Journal of chemical …, 2015 - pubs.aip.org
We have applied the many-body ab initio diffusion quantum Monte Carlo (DMC) method to
study Zn and ZnO crystals under pressure and the energetics of the oxygen vacancy, zinc …

Formulation of an appropriate equation of state to predict the melting temperature of metallic solids

J Patel, J Gupta, S Mishra, S Shukla, P Singh… - Computational …, 2024 - Elsevier
The aim of this work is to derive an equation for the melting curve of metals through distinct
isothermal equations of state, namely the equations of state proposed by Singh and Kao …

Half-metallicity and magnetism of Heusler alloys Co2HfZ (Z= Al, Ga, Ge, Sn)

S Babiker, G Gao, K Yao - Journal of Magnetism and Magnetic Materials, 2017 - Elsevier
The electronic and magnetic properties of novel Heusler alloys Co 2 HfZ (Z= Al, Ga, Ge, Sn)
with Hg 2 CuTi-and Cu 2 MnAl-type structures are investigated by first-principles …

Equations of State for a Crystalline Phase: Contemporary Models

AV Perevoshchikov, AI Maksimov… - Russian Journal of …, 2022 - Springer
Equations of State for a Crystalline Phase: Contemporary Models | SpringerLink Skip to
main content Advertisement SpringerLink Log in Menu Find a journal Publish with us …

High pressure isothermal equation of state for nanomaterials

K Kholiya - Indian Journal of Physics, 2013 - Springer
A simple theoretical model is developed to study the high pressure behavior of carbon
nanotubes viz. single-wall carbon nanotube bundle, single-wall individual carbon nanotube …

A theoretical equation of state to formulate the melting curve of metals with varying pressure

J Patel, J Gupta, AP Srivastava, M Upadhyaya… - Computational …, 2024 - Elsevier
The objective of this study has been formulate mathematical equations for the melting
temperature of metallic solids using various thermodynamics equation of state, specifically …

Applicability of equation of state in extreme compression region and study of diatomic solids under pressure

P Chaturvedi, M Goyal - Chinese Journal of Physics, 2018 - Elsevier
In the present study, the expression of first pressure derivative of bulk modulus B′ earlier
derived by Goyal and Gupta EoS [7] is corrected and the validity of the EoS is then verified in …

Electronic and Optical Properties of Mg2GeO4 under Pressure Effect: Ab Initio Study

Y Zhang - ECS Journal of Solid State Science and Technology, 2022 - iopscience.iop.org
We report first-principles studies of the structural, elastic, electronic, and optical properties of
Mg 2 GeO 4 in orthorhombic structure, including pressure dependence of structural …

Thermo-elastic behavior of metallic solids under high pressure

M Goyal - Materials Today: Proceedings, 2023 - Elsevier
In the present study, the author has formulated a pressure dependent new equation of state
(EoS) considering the lattice potential energy as a function of volume. The formulated EoS is …