Newly Synthesized Ta‐Based MAX Phase (Ta 1− x Hf x ) 4 AlC 3 and (Ta 1− x Hf x ) 4 Al 0.5 Sn 0.5 C 3 (0 ≤  x  ≤ 0.25) Solid Solutions: Unravelling the Mechanical, Electronic, and Thermodynamic Properties

2020 ◽  
pp. 2000307 ◽  
Author(s):  
Md. Ashraf Ali
Keyword(s):  
Thermodynamic Properties ◽  
Solid Solutions ◽  
Max Phase

Elastic and thermodynamic properties of new (Zr3−Ti )AlC2 MAX-phase solid solutions

2017 ◽  
Vol 137 ◽  
pp. 318-326 ◽  
Author(s):  
M.A. Hadi ◽  
M. Roknuzzaman ◽  
A. Chroneos ◽  
S.H. Naqib ◽  
A.K.M.A. Islam ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Solid Solutions ◽  
Max Phase

Thermal prehistory, structure and high-temperature thermodynamic properties of Y2O3-CeO2 and Y2O3-ZrO2-CeO2 solid solutions

2020 ◽  
Author(s):  
Olga Yu Kurapova ◽  
Sergey M. Shugurov ◽  
Evgenia A. Vasil'eva ◽  
Daniil A. Savelev ◽  
Vladimir G. Konakov ◽  
...  
Keyword(s):  
High Temperature ◽  
Thermodynamic Properties ◽  
Solid Solutions ◽  
Thermal Prehistory

scholarly journals Recently synthesized (Ti1−xMox)2AlC (0 ≤ x ≤ 0.20) solid solutions: deciphering the structural, electronic, mechanical and thermodynamic properties via ab initio simulations

RSC Advances ◽  
2020 ◽  
Vol 10 (52) ◽  
pp. 31535-31546 ◽  
Author(s):  
M. A. Ali ◽  
S. H. Naqib
Keyword(s):  
Density Functional Theory ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Solid Solutions ◽  
Density Functional ◽  
Functional Theory ◽  
Ab Initio Simulations

The structural, electronic, mechanical and thermodynamic properties of (Ti1−xMox)2AlC (0 ≤ x ≤ 0.20) were explored using density functional theory.

Phase equilibria in the Ag2Se–GeSe2–SnSe2 system and thermodynamic properties of Ag8Ge1–x Sn x Se6 solid solutions

2017 ◽  
Vol 53 (8) ◽  
pp. 786-796 ◽  
Author(s):  
I. J. Alverdiev ◽  
S. M. Bagheri ◽  
Z. M. Aliyeva ◽  
Yu. A. Yusibov ◽  
M. B. Babanly
Keyword(s):  
Thermodynamic Properties ◽  
Phase Equilibria ◽  
Solid Solutions

scholarly journals New MAX Phase Superconductor Ti2GeC: A First-principles Study

2013 ◽  
Vol 6 (1) ◽  
pp. 11-27 ◽  
Author(s):  
M. A. Hadi ◽  
M. Roknuzzaman ◽  
F. Parvin ◽  
S. H. Naqib ◽  
A. K. M. A. Islam ◽  
...  
Keyword(s):  
Optical Properties ◽  
Thermodynamic Properties ◽  
Fermi Surface ◽  
Vickers Hardness ◽  
First Principles ◽  
Elastic Anisotropy ◽  
Debye Model ◽  
First Principles Calculation ◽  
Max Phase ◽  
Specific Heats

This is the first DFT-based first-principles prediction of the detailed optical and thermodynamic properties, including Vickers hardness and Fermi surface of 211 MAX phase Ti2GeC for which superconductivity (Tc~ 9.5 K) was reported very recently. The calculated structural properties are in excellent agreement with experiments. Our results on elastic parameters indicate a slight elastic anisotropy and brittleness of the compound. The chemical bonding is seen to be a combination of covalent, ionic and metallic nature. The rather stronger covalent bonding is responsible for its high Vickers hardness of 11.6 GPa. The investigated Fermi surface is formed mainly by the low-dispersive bands, which should be responsible for the presence of superconductivity in Ti2GeC. All the optical properties are evaluated and analyzed for two different polarization directions of incident photon. The temperature and pressure dependence of primitive cell volume, thermal expansion coefficient, specific heats, bulk modulus, and Debye temperature of Ti2GeC are derived from the quasi-harmonic Debye model with phononic effect and the various implications are discussed in details.  Keywords: First-principles calculation; Vickers hardness; Optical properties; Thermodynamic properties. © 2014 JSR Publications. ISSN: 2070-0237 (Print); 2070-0245 (Online). All rights reserved. doi: http://dx.doi.org/10.3329/jsr.v6i1.16604 J. Sci. Res. 6 (1), 11-27 (2014)

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