Formation Enthalpies of 18 Carat Au–Cu–Ni-Zn-RE Alloys Calculated With Chou’ Models

2009 ◽  
Vol 79-82 ◽  
pp. 1755-1758
Author(s):  
Xiong Zhi Xiang ◽  
Xiao Jun Bai ◽  
Song Feng Ma ◽  
Guo Tao Zhang ◽  
Yi Kun Su
Keyword(s):  
Thermodynamic Properties ◽  
Intermetallic Compounds ◽  
Relative Stability ◽  
Present Method ◽  
Binary Alloys ◽  
Gold Alloys ◽  
White Gold ◽  
Formation Enthalpies

A method to estimate the thermodynamic properties of Multi- component white gold alloys from those of constitutive binary alloys was proposed. The Miedema's theory and Chou model. were used to calculate the formation enthalpies of Au–Cu–Ni-Zn-RE alloys. The agreement between the calculation and experiment is reasonable. Formation enthalpies of Au–Cu–Ni-Zn-RE and relative stability of their intermetallic compounds were predicted with present method.

Formation Enthalpies of Yellow Gold Alloys with RE Addition Calculated with Chou’ Models

2012 ◽  
Vol 476-478 ◽  
pp. 89-93 ◽  
Author(s):  
Hao Hua Zeng ◽  
Xiong Zhi Xiang ◽  
Su Mei Lei
Keyword(s):  
Thermodynamic Properties ◽  
Intermetallic Compounds ◽  
Relative Stability ◽  
Present Method ◽  
Binary Alloys ◽  
Gold Alloys ◽  
White Gold ◽  
Formation Enthalpies

A method to estimate the thermodynamic properties of Multi- component white gold alloys from those of constitutive binary alloys was proposed. The Miedema's theory and Chou model. were used to calculate the formation enthalpies of Au–Cu–Ag-Zn-RE alloys. The agreement between the calculation and experiment is reasonable. Formation enthalpies of Au–Cu–Ni-Zn-RE and relative stability of their intermetallic compounds were predicted with present method.

scholarly journals Improvement of 18 carat white gold alloys

Gold Bulletin ◽  
1978 ◽  
Vol 11 (2) ◽  
pp. 35-39 ◽  
Author(s):  
Grahame P. O’Connor
Keyword(s):  
Gold Alloys ◽  
White Gold

DFT study of electronic and thermodynamic properties of gold-rich intermetallic compounds, Ce2Au2Cd and CeAu4Cd2

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Jyoti Sagar ◽  
Reetu Singh ◽  
Vijay Kumar ◽  
Sanjay Kumar ◽  
Manish P. Singh ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Mechanical Strength ◽  
Intermetallic Compounds ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Debye Model ◽  
Effect Of Temperature ◽  
Mechanical Resistance ◽  
Electronic Band ◽  
High Mechanical Strength

Abstract Gold-rich rare earth intermetallic compounds (viz. Ce2Au2Cd and CeAu4Cd2) show unusual magnetic and physical properties, and they have extensive applications in electronic and mechanical industries due to their good electronic and thermal behavior with high mechanical strength. In the present research article, to take full advantage of technological importance of these materials, we have investigated the structural, electronic and thermodynamic properties of Ce2Au2Cd and CeAu4Cd2 ternary intermetallic compounds using density functional theory (DFT). The electronic band structure and density of state calculations show that Ce-f orbital electrons provide metallic character to both the compounds with strong hybridization of Au-p and Cd-p orbitals at the Fermi level. The effect of temperature has been studied on the various thermodynamic parameters using the quasi-harmonic Debye model. Thermodynamic properties show that CeAu4Cd2 compound has larger mechanical resistance (or high mechanical strength or hardness) and smaller randomness compared to Ce2Au2Cd with respect to temperature.

scholarly journals Thermodynamic properties of silicon containing acetylene peroxides

2008 ◽  
Vol 2 (1) ◽  
pp. 1-6
Author(s):  
Volodymyr Dibrivny ◽  
Yurij Van-Chin-Syan ◽  
Galyna Melnyk ◽  
◽  
Keyword(s):  
Thermodynamic Properties ◽  
Additive Scheme ◽  
Formation Enthalpies

A technique for the explosion combustion of liquid organosilicon peroxides has been developed. Five Silicon containing acetylene peroxides have been investigated thermodynamically. Their combustion and evaporation enthalpies have been determined. Formation enthalpies of the compounds concerned in the condensed and gaseous states have been calculated. The magnitudes of two fragments for Benson additive scheme of formation enthalpies have been determined.

Thermodynamic properties of some gallium-based binary alloys

2008 ◽  
Vol 403 (17) ◽  
pp. 2629-2633 ◽  
Author(s):  
O.E. Awe ◽  
Y.A. Odusote ◽  
O. Akinlade ◽  
L.A. Hussain
Keyword(s):  
Thermodynamic Properties ◽  
Binary Alloys

Mechanical and thermodynamic properties of intermetallic compounds in the Ni–Ti system

2017 ◽  
Vol 31 (22) ◽  
pp. 1750161 ◽  
Author(s):  
Y. F. Li ◽  
S. L. Tang ◽  
Y. M. Gao ◽  
S. Q. Ma ◽  
Q. L. Zheng ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Intermetallic Compounds ◽  
Room Temperature ◽  
Linear Thermal Expansion ◽  
Harmonic Approximation ◽  
Anisotropic Elasticity ◽  
First Principles Calculations ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients ◽  
Zirconia Toughened Alumina

The mechanical and thermodynamic properties of intermetallic compounds in the Ni–Ti system are studied by first-principles calculations. All phases show anisotropic elasticity in different crystallographic directions, in which Ni3Ti and NiTi2 are approaching the isotropy structure. The elastic moduli and Vicker’s hardness of Ni–Ti system intermetallic compounds decrease in the following order: Ni3Ti [Formula: see text] B2_NiTi [Formula: see text] B19[Formula: see text]_NiTi [Formula: see text] NiTi2, and Ni3Ti shows the best mechanical properties. The intrinsic ductile nature of Ni–Ti compounds is confirmed by the obtained [Formula: see text]/[Formula: see text] ratio. The temperature dependence of linear thermal expansion coefficients (LTECs) of the compounds is estimated by the quasi-harmonic approximation (QHA) method. Ni3Ti shows the largest values among all Ni–Ti intermetallic compounds. At room temperature, the LTEC for Ni3Ti is 8.92 × 10[Formula: see text] K[Formula: see text], which falls in between the LTEC of zirconia toughened alumina (ZTA) (7.0–9.5 × 106 K[Formula: see text]) and iron matrix (9.2–16.9 × 106 K[Formula: see text]); i.e., the thermal matching of the ZTA/iron composite will be improved by introducing Ni3Ti intermetallic compound into their interface. Other thermodynamic properties such as sound velocity and Debye temperature are also obtained.

A New Method to Estimate Thermodynamic Properties of Intermetallic Compounds

1997 ◽  
Vol 13 (08) ◽  
pp. 712-716
Author(s):  
Chen Feng ◽  
◽  
Yang Zhang-Yuan ◽  
Wen Hao ◽  
Xu Zhi-Hao
Keyword(s):  
Thermodynamic Properties ◽  
Intermetallic Compounds ◽  
New Method

First-principle study of the structural, mechanical, electronic and thermodynamic properties of intermetallic compounds: Pd3M (M=Sc, Y)

2019 ◽  
Vol 33 (27) ◽  
pp. 1950321
Author(s):  
R. Boulechfar ◽  
A. Trad Khodja ◽  
Y. Khenioui ◽  
H. Meradji ◽  
S. Drablia ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Fermi Level ◽  
Debye Model ◽  
Pressure Effects ◽  
Full Potential ◽  
Generalized Gradient ◽  
Text Structures ◽  
Formation Enthalpies ◽  
Densities Of States ◽  
Experimental Findings

The mechanical, electronic and thermodynamic properties of Pd3M (M[Formula: see text]=[Formula: see text]Sc, Y) compounds have been investigated using the Full Potential Linearized Augmented Plane Wave (FP-LAPW) formalism. The generalized gradient approximation (GGA) is used to treat the exchange–correlation terms. The calculated formation enthalpies and the cohesive energies reveal that the L12 structure is more stable than the D0[Formula: see text] one. The obtained lattice parameters and bulk modulus calculations conform well to the available experimental and theoretical results. The elastic and mechanical properties are analyzed and results show that both compounds are ductile in nature. The Debye temperature and melting temperature are also estimated and are in a good agreement with experimental findings. The total and partial densities of states are determined for L12 and D0[Formula: see text] structures. The density of states at the Fermi level, [Formula: see text]([Formula: see text]), indicates electronic stability for both compounds. The presence of the pseudo-gap near the Fermi level is suggestive of formation of directional covalent bonding. The number of bonding electrons per atom [Formula: see text] and the electronic specific heat coefficient [Formula: see text] are also determined. The quasi-harmonic Debye model has been used to explore the temperature and pressure effects on the thermodynamic properties for both compounds.

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