Thermodynamic Analysis of the Fe-Mn-P Ternary Phase Diagram by Combining the First-Principles and CALPHAD Methods

2007 ◽  
pp. 1899-1902
Author(s):  
T. Tokunaga ◽  
N. Hanaya ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
First Principles ◽  
Ternary Phase ◽  
Ternary Phase Diagram

Thermodynamic Analysis of the Fe-Mn-P Ternary Phase Diagram by Combining the First-Principles and CALPHAD Methods

2007 ◽  
Vol 561-565 ◽  
pp. 1899-1902 ◽  
Author(s):  
T. Tokunaga ◽  
N. Hanaya ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Ternary System ◽  
Thermodynamic Analysis ◽  
First Principles ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
First Principles Calculations ◽  
The Enthalpy Of Formation

A thermodynamic analysis of the Fe-Mn-P ternary system has been carried out using the CALPHAD method. Among the three binary systems relevant to this ternary phase diagram, the thermodynamic parameters of the Mn-P binary system were evaluated in this study. The enthalpy of formation of the binary phosphides obtained from our first-principles calculations was utilized in the present analysis to compensate for the lack of available experimental data. The thermodynamic descriptions of the Fe-Mn and Fe-P binary systems were taken from previous studies. The phase equilibria in the Fe-Mn-P ternary system were analysed based on the experimental data on the phase boundaries. The calculated phase diagrams are in agreement with the experimental results.

scholarly journals Thermodynamic Analysis of the Sn-In-Sb Ternary Phase Diagram

1999 ◽  
Vol 63 (6) ◽  
pp. 695-701 ◽  
Author(s):  
Satoru Ishihara ◽  
Hiroshi Ohtani ◽  
Takashi Saito ◽  
Kiyohito Ishida
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
Ternary Phase ◽  
Ternary Phase Diagram

scholarly journals Thermodynamic Analysis of the Mo-Nb-B Ternary Phase Diagram

2009 ◽  
Vol 73 (3) ◽  
pp. 180-188 ◽  
Author(s):  
Kenta Yamada ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
Ternary Phase ◽  
Ternary Phase Diagram

scholarly journals Thermodynamic Analysis of the Nb–Ti–B Ternary Phase Diagram

2009 ◽  
Vol 50 (5) ◽  
pp. 984-993 ◽  
Author(s):  
Yu Nakama ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
Ternary Phase ◽  
Ternary Phase Diagram

scholarly journals Thermodynamic Analysis of the Sn-Ag-Bi Ternary Phase Diagram

2001 ◽  
Vol 42 (5) ◽  
pp. 722-731 ◽  
Author(s):  
Hiroshi Ohtani ◽  
Isamu Satoh ◽  
Masamitsu Miyashita ◽  
Kiyohito Ishida
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
Ternary Phase ◽  
Ternary Phase Diagram

scholarly journals Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

2009 ◽  
Vol 73 (9) ◽  
pp. 674-682 ◽  
Author(s):  
Masayuki Tojo ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
Ternary Phase ◽  
Ternary Phase Diagram

scholarly journals Thermodynamic Analysis of the Pu-U-B Ternary Phase Diagram

2009 ◽  
Vol 73 (6) ◽  
pp. 446-452 ◽  
Author(s):  
Yuji Nishihara ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Analysis ◽  
Ternary Phase ◽  
Ternary Phase Diagram

Origins of phase separation in thermoelectric (Ti, Zr, Hf)NiSn half-Heusler alloys from first principles

2016 ◽  
Vol 4 (36) ◽  
pp. 13949-13956 ◽  
Author(s):  
Alexander Page ◽  
Anton Van der Ven ◽  
P. F. P. Poudeu ◽  
Ctirad Uher
Keyword(s):  
Phase Diagram ◽  
Phase Separation ◽  
First Principles ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Heusler Alloys ◽  
First Principles Calculations ◽  
Composition Space

First principles calculations were used to create a pseudo-ternary phase diagram of the (Hf1−x−yZryTix)NiSn composition space.

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