First-principles investigation of the Cu–Ni, Cu–Pd, and Ni–Pd binary alloy systems

2015 ◽  
Vol 57 ◽  
pp. 41-50 ◽  
Author(s):  
J. Teeriniemi ◽  
P. Taskinen ◽  
K. Laasonen
Keyword(s):  
Binary Alloy ◽  
First Principles ◽  
Alloy Systems

scholarly journals Calculated mixing enthalpies of 11 IIB-IVB and IIB-VB binary alloy systems using a subregular model

2010 ◽  
Vol 46 (2) ◽  
pp. 141-151 ◽  
Author(s):  
Z. Bangwei ◽  
S. Xiaolin ◽  
L. Shuzhi ◽  
Y. Xiaojian ◽  
X. Haowen
Keyword(s):  
Binary Alloy ◽  
First Principles ◽  
Theoretical Calculations ◽  
Points Of View ◽  
Group B ◽  
Miedema Theory ◽  
First Time ◽  
Subregular Model ◽  
Mixing Enthalpies ◽  
Alloy Systems

There have been no theoretical calculations of the mixing enthalpies for group B metal alloy systems using the famous Miedema theory or from first principles. Therefore such systematic calculations for the 11 group IIB?IVB and IIB?VB binary alloy systems are performed for the first time using a subregular model. The results show that the agreement between the calculations and experimental data is pretty good and could be accepted from the theoretical or experimental points of view. It can be concluded from the results that the subregular model can be used for calculating the mixing enthalpies of the group B alloy systems, at least for the IIB?IVB and IIB?VB alloy systems.

[P117] First-principles-CALPHAD investigation of the Cu-Ni-Pd binary alloy systems

Calphad ◽  
2015 ◽  
Vol 51 ◽  
pp. 410 ◽  
Author(s):  
Juhani Teeriniemi ◽  
Kari Laasonen ◽  
Pekka Taskinen
Keyword(s):  
Binary Alloy ◽  
First Principles ◽  
Alloy Systems
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