4.4 Article

Unified EOS incorporating the finite strain theory for explaining thermo elastic properties of high temperature superconductors, nanomaterials and bulk metallic glasses

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Physics, Condensed Matter

Theoretical prediction of Gr?neisen Parameter for ?-Fe2O3

Shivam Srivastava et al.

Summary: In this study, the pressure, bulk modulus, and first order pressure derivative of bulk modulus at different compression ratios (V/V0) were theoretically calculated to investigate the Gruneisen parameter in nanomaterials. The variation of Gruneisen parameter with respect to compression ratio (V/V0) for gamma-Fe2O3 nanomaterial was also predicted using the Borton and Stacey model at compressions up to V/V0 = 0.64. Three different equations of state were used: Birch-Murnaghan EOS, Brennan-Stacey EOS, and Vinet-Rydberg.

COMPUTATIONAL CONDENSED MATTER (2023)

Article Chemistry, Multidisciplinary

Theoretical prediction for thermoelastic properties of carbon nanotubes (CNTs) at different pressure or compression using equation of states

Shivam Srivastava et al.

Summary: In this study, three equations of state (EOSs) including modified Lenard Jones EOS, Birch-Murnaghan (3rd) EOS, and Vinet-Rydburg EOS, were used to investigate the thermoelastic properties of carbon nanotubes under high pressure. The calculated pressures at various V/V-0 values matched well with experimental data, indicating the applicability of these EOSs for nanomaterial calculations. The findings of this study were consistent with the work of Stacey, demonstrating that pressure increases with a decrease in volume, while bulk modulus increases with an increase in pressure. Moreover, the Gruneisen parameter calculated from different EOSs followed the relationship that the ratio of Gruneisen parameter to V/V-0 remains approximately constant.

JOURNAL OF MATHEMATICAL CHEMISTRY (2023)

Article Chemistry, Multidisciplinary

Theoretical model for the prediction of lattice energy of diatomic metal halides

Anjani K. Pandey et al.

Summary: In this theoretical analysis, we examined the binding energy of metal and halogen atom pairs by using different mathematical models. The comparison between theoretical predictions and experimental measurements showed that the difference between them becomes more noticeable as the force constant increases. These findings are related to the rotation and vibration of atoms, which are key areas of study in molecular spectroscopy.

JOURNAL OF MATHEMATICAL CHEMISTRY (2023)

Article

Melting Temperature of Semiconducting Nanomaterials at different Shape and Size

Shivam Srivastava et al.

Nano-Structures and Nano-Objects (2023)

Article Multidisciplinary Sciences

Theoretical Prediction for Thermo-Elastic Properties of TiO2 (Rutile Phase)

Anjani K. Pandey et al.

Summary: In this study, the thermoelastic properties of nano TiO2 were calculated using different equations of state, and the results were in good agreement with experimental data.

NATIONAL ACADEMY SCIENCE LETTERS-INDIA (2023)

Article Multidisciplinary Sciences

Shape and Size Dependent Thermophysical Properties of Nanomaterials

Anjani K. Pandey et al.

Summary: In this paper, we theoretically predict the thermophysical properties of several nanomaterials and investigate the effects of different shapes on these properties. Our calculations provide important insights in the absence of experimental data.

IRANIAN JOURNAL OF SCIENCE (2023)

Article Multidisciplinary Sciences

A Paradigm Shift in High-Pressure Equation of State Modeling: Unveiling the Pressure-Bulk Modulus Relationship

Anjani Pandey et al.

Summary: In this theoretical investigation, the limitations of EOSs at high pressures have been examined by analyzing the relationship between pressure and bulk modulus. A new relationship has been established for the infinite pressure range, and the applicability of different EOSs has been analyzed. The findings shed light on the constraints and potential improvements of EOSs for accurately predicting material behavior at infinite pressures.

IRANIAN JOURNAL OF SCIENCE (2023)

Article Thermodynamics

High Pressure Effects on the Structural Properties of GaN Compound Using Equations of State

Siham J. Al-Faris et al.

Summary: The present study conducts a theoretical calculation to analyze the effects of high pressure on the thermodynamic properties of GaN. The results show that the bulk modulus of GaN increases with pressure, while the volume change is relatively small. Additionally, the theoretical calculations are in good agreement with experimental data, indicating the validity of the equations of state used in this study.

INTERNATIONAL JOURNAL OF THERMODYNAMICS (2022)

Article Materials Science, Multidisciplinary

Bulk modulus of second-order pressure derivative for nanomaterials

Rohit Gupta et al.

Summary: The high-pressure compression behavior of several nanomaterials was studied using theoretical equations of state models, showing close conformity with experimental data.

BULLETIN OF MATERIALS SCIENCE (2021)

Article Chemistry, Physical

Theoretical prediction of Gruneisen parameter for bulk metallic glasses

Anjani K. Pandey et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2011)

Article Geochemistry & Geophysics

New accurate compression data for γ-Fe2SiO4

Fabrizio Nestola et al.

PHYSICS OF THE EARTH AND PLANETARY INTERIORS (2010)

Article Physics, Condensed Matter

Compressibility and polymorphism of α-As4S4 realgar under high pressure

M. A. Tuktabiev et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Physics, Applied

Elastic properties of the bcc structure of bismuth at high pressure

Gonzalo Gutierrez et al.

JOURNAL OF APPLIED PHYSICS (2006)

Article Geochemistry & Geophysics

High-pressure elasticity of calcium oxide: A comparison between Brillouin spectroscopy and radial X-ray diffraction

S Speziale et al.

JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH (2006)

Article Physics, Condensed Matter

A modified Lennard-Jones-type equation of state for solids strictly satisfying the spinodal condition

JX Sun

JOURNAL OF PHYSICS-CONDENSED MATTER (2005)