TQGSE

Fortran

TQGSE (IMATR, IPREC, IMC,TEMP, U, VOLM,VOLP, IWSG, IWSE)
C-interface

tq_gse (TC_INT imatr,TC_INT iprec,TC_INT imc,TC_FLOAT temp,TC_FLOAT* u,TC_FLOAT volm,TC_FLOAT volp,TC_INT* iwsg,TC_INT* iwse);

Full name:

Get interfacial energy between a matrix phase and a precipitate phase.

Purpose:

With this subroutine the application program can estimate the interfacial energy between a matrix phase and a precipitate phase using thermodynamic data from a CALPHAD database. The approximation model is based on Becker’s bond energy approach is available as the Interfacial Energy model included with the Property Model Calculator and Precipitation Module (TC-PRISMA).

For systems with interstitial elements note the following:

  • The composition array must contain so-called u-fractions.

    The u-Fraction Variable

  • The molar volumes of the matrix and precipitate should be with respect to substitutional elements. This can be achieved by first setting the component status to 'SPECIAL' for the interstitial elements with TQCSSC, and then retrieve the correct molar volume with TQGET1('VM',...).

An equilibrium calculation is not required prior to using this function.

Arguments

Name

Type

Value set on call or returned

IMATR

Integer

Set index of matrix phase

IPREC

Integer

Set index of precipitate phase

IMC

Integer

Set index of major component

TEMP

Double precision

Set temperature in Kelvin

U

Double precision array

Set overall alloy composition in u-fraction

VOLM

Double precision

Set molar volume of matrix phase with respect to substitutional elements

VOLP

Double precision

Set molar volume of precipitate phase with respect to substitutional elements

IWSG

Integer array

Workspace

IWSE

Integer array

Workspace

Return Value
TQGSE Double precision The interfacial energy in J/m2

Note the following conventions to distinguish between the programming languages.

  • Routines starting with TQXXX, for example, TQGDAT, are in the Fortran interface
  • Routines starting with tq_xxxx, for example tq_gdat, are in the C-interface.
  • In Fortran, all routines are subroutines and do not return any values except where explicitly declared as functions.
  • All the C procedures are declared as void and do not return any values except where explicitly otherwise declared.

An example of how to read the subroutine definitions.

How to read the subroutine definitions with the TQ-Interface