Paper Title:
Thermodynamic Analysis of Steels by Incorporating First-Principles Calculations into the CALPHAD Approach
  Abstract

A thermodynamic analysis of the Fe−M−P (M = Nb, Ti) ternary system has been performed by combining first-principles calculations with the CALPHAD approach. Because of the lack of experimental information available, thermodynamic properties of orthorhombic anti-PbCl2-type FeMP were evaluated using the Full Potential Linearized Augmented Plane Wave method, and the estimated values were introduced into a CALPHAD-type thermodynamic analysis. Applying this procedure, the phase diagrams of the Fe−M−P ternary phase diagrams whose contents are uncertain so far were calculated with a high degree of probability. Phase diagrams for high-purity ferritic stainless steels obtained following the same procedure are also presented.

  Info
Periodical
Materials Science Forum (Volumes 539-543)
Main Theme
Edited by
T. Chandra, K. Tsuzaki, M. Militzer , C. Ravindran
Pages
2413-2418
DOI
10.4028/www.scientific.net/MSF.539-543.2413
Citation
H. Ohtani, N. Hanaya, M. Hasebe, "Thermodynamic Analysis of Steels by Incorporating First-Principles Calculations into the CALPHAD Approach", Materials Science Forum, Vols. 539-543, pp. 2413-2418, 2007
Online since
March 2007
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Mamoun Medraj, M.A. Parvez, Elhachmi Essadiqi, Jian Li
Abstract:This work presents experimental investigation of 14 different alloys with differential scanning calorimetery (DSC), scanning electron...
1620
Authors: Masao Takeyama
Abstract:Alloy design concept for the development of a new class of austenitic heat resistant steels strengthened by Fe2M Laves phases (M: transition...
3012
Authors: Rainer Schmid-Fetzer
Abstract:When trying to calculate the approximate constitution of as-cast tin containing aluminium alloys one has to cope with a combination of...
183
Authors: Shu Liang Wang, Lu Jiang Zhou, Jia Lian Li, Xiao Hong Wang, Yuan Hua Lin, Xing Jun Liu
Chapter 2: Numerical Simulation, Calculation and Design in Materials Science
Abstract:With available melting point and hardness, the Bi-based filler alloy is considered as one choice of high-temperature Pb-free solder. Phase...
444