Materials Algorithms Project
Program Library

Module MAP_Util_Global_Data

Provenance of code.
Purpose of code.
Specification.
Description of subroutine's operation.
References.
Parameter descriptions.
Error indicators.
Accuracy estimate.
Any additional information.
Example of code
Auxiliary subroutines required.
Keywords.
Download source code.
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Provenance of Source Code

H.K.D.H. Bhadeshia,
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge, U.K.

Conversion to Fortran 90 by S. Cardie
Address as above.

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Purpose

This module contains parameter declarations and two public procedures which are used extensively by MAP software.

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Specification

Language:	FORTRAN 90
Product form:	Source code.

MODULE MAP_Util_Global_Data

SAVE
  INTEGER,PARAMETER :: real_8_30 = SELECTED_REAL_KIND(P=8,R=30)
  REAL(KIND=real_8_30),PARAMETER :: &
           HH   =6.6260755E-34, R =8.31451E+00, &
           BOLTZ=1.380658E-23, AV =6.0221367E+23, &
           T0   =273.15D+00
  REAL(KIND=real_8_30),PARAMETER :: PI=3.141592654D+00

CONTAINS
  FUNCTION H_T(T)
    IMPLICIT NONE
    REAL(KIND=real_8_30),INTENT(IN) :: T
    REAL(KIND=real_8_30)            :: H_T
  END FUNCTION H_T
 
  FUNCTION S_T(T)
    IMPLICIT NONE
    REAL(KIND=real_8_30),INTENT(IN) :: T
    REAL(KIND=real_8_30)            :: S_T
  END FUNCTION S_T

  FUNCTION AJ(T,W)
    IMPLICIT NONE
    REAL(KIND=real_8_30),INTENT(IN) :: T,W
    REAL(KIND=real_8_30) :: AJ
  END FUNCTION AJ

END MODULE MAP_Util_Global_Data

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Description

The integer parameter real_8_30 sets the default KIND type for real variables and constant used in MAP programs and procedures.

The six real parameters represent various fundamental constants as follows:

HH is the Planck constant (in joules per hertz, J/Hz).
R is the molar gas constant (in joules per mole per kelvin, J/(mol K)).
BOLTZ is the Boltzmann constant (in joules per kelvin, J/K).
T0 is the triple point of water (in kelvin).
AV is the Avogadro constant (in 1/(mole).
PI is pi

There are three PUBLIC procedures:

H_T calculates excess partial molar enthalpy of solution of carbon in austenite (J/mol), as a function of absolute temperature.
S_T calculates excess partial molar enthalpy of solution of carbon in ferrite (J/mol), as a function of absolute temperature.
AJ calculates 1-e(W/RT), where R is the gas constant.

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References

None supplied.

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Parameters

Input parameters

H_T, S_T

T - real

Absolute temperature
AJ

T - real

Absolute temperature

W - real

Carbon-carbon interaction energy in austenite or ferrite (J/mol).

Output parameters

H_T

H_T - real

Excess partial molar enthalpy of solution of carbon in austenite (J/mol), as a function of absolute temperature.
S_T

S_T - real

Excess partial molar enthalpy of solution of carbon in ferrite (J/mol), as a function of absolute temperature.
AJ

AJ - real

Value of 1-exp(W/RT).

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Error Indicators

None.

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Accuracy

No information supplied.

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Further Comments

Used by all MAP Fortan 90 software.

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Example

1. Program text

PROGRAM MAP_Util_Global_Data_Test
  USE MAP_Util_Global_Data
  IMPLICIT NONE
  REAL(KIND=real_8_30) :: AJ1, AJ2, T1, T2, H1, H2, S1, S2
  REAL(KIND=real_8_30),PARAMETER :: W = 48570.0E+00
    write(6,1000)
    read(5,*) T1, T2

    H1 = H_T(T1)
    H2 = H_T(T2)

    S1 = S_T(T1)
    S2 = S_T(T2)

    AJ1 = AJ(T1,W)
    AJ2 = AJ(T2,W)

    write(6,1001) T1
    write(6,1002) H1, S1, AJ1
    write(6,*)
    write(6,1001) T2
    write(6,1002) H2, S2, AJ2

  STOP
1000 FORMAT('Temperatures in kelvin: ')
1001 FORMAT('At temperature ', F7.2, ' kelvin: ')
1002 FORMAT('Excess partial molar free enthalpies of solution of carbon in &
    & austenite and ferrite are ',F12.3, ' and ', F12.3, ' respectively and &
    & 1-exp(W/RT) is ',&
    & F12.3)
END PROGRAM MAP_Util_Global_Data_Test

2. Program data

Temperatures in kelvin: 
800  
1200

3. Program results

At temperature  800.00 kelvin: 
Excess partial molar free enthalpies of solution of carbon in austenite and ferrite 
are   111918.000 and       51.440 respectively and 1-exp(W/RT) is        0.999

At temperature 1200.00 kelvin: 
Excess partial molar free enthalpies of solution of carbon in austenite and ferrite 
are   105525.000 and       45.345 respectively and 1-exp(W/RT) is        0.992

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