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Computer program for equilibrium calculation and diffusion simulation®

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

A computer program called TKCALC(thermodynamic and kinetic calculation) has been successfully developed for the purpose of phase equilibrium calculation and diffusion simulation in ternary substitutional alloy systems. The program was subsequently applied to calculate the isothermal sections of the Fe-Cr-Ni system and predict the concentration profiles of two 7/7 single-phase diffusion couples in the Ni-Cr-Al system. The results are in excellent agreement with THERMO-CALC and DICTRA software packages. Detailed mathematical derivation of some important formulae involved is also elaborated.

Original languageEnglish
Pages (from-to)156-161
Number of pages6
JournalTransactions of Nonferrous Metals Society of China (English Edition)
Volume10
Issue number2
StatePublished - 2000

Keywords

  • Diffusion
  • Kinetics
  • Phase diagram
  • Thermodynamics

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