Materials Algorithms Project
Program Library

Subroutine MAP_STEEL_NITR

1. Provenance of code.
2. Purpose of code.
3. Specification.
4. Description of subroutine's operation.
5. References.
6. Parameter descriptions.
7. Error indicators.
8. Accuracy estimate.
9. Any additional information.
10. Example of code
11. Auxiliary subroutines required.
12. Keywords.
13. Download source code.
14. Links.

Provenance of Source Code

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

Added to MAP: August 1999.

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Purpose

To calculate the activity coefficient for nitrogen in a steel weld.

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Specification

 SUBROUTINE MAP_STEEL_NITR(C,SI,MN,NI,MO,CR,V,F,AL,TI,CO,
&                          NB,TA,W,ZR,CU)
 DOUBLE PRECISION C,SI,MN,NI,MO,CR,V,F,AL,TI,CO,NB,TA,W,ZR,CU

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Description

MAP_STEEL_NITR calculates the activity coefficient, f, using equation 3 in reference 1:

where x_i are the concentrations of each element present and e_i are the corresponding Wagner interaction parameters [2-4]. The elements aluminium, carbon, cobalt, chromium, copper, manganese, molybdenum, niobium, nickel, silicon, tantalum, titanium, vanadium, tungsten and zirconium are included in the summation. The interaction coefficient is used for calculating the nitrogen concentration in steel welds (see, for example, MAP_STEEL_NITY).

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References

1. H.K.D.H. Bhadeshia, L.-E. Svensson and B. Gretoft, 1988, Journal of Materials Science Letters, 7, 610-612.
2. R.D. Pehlke and J.F. Elliott, 1960, Trans. AIME, 218, 1088.
3. D.B. Evans and R.D. Pehlke, 1965, Trans. AIME, 233, 1620.
4. J.F. Lancaster, 1987, Metallurgy of Welding, 4th edition, (Allen and Unwin: London), p60.

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Parameters

Input parameters

C - real

C is the carbon concentration (weight percent).

SI - real

SI is the silicon concentration (weight percent).

MN - real

MN is the manganese concentration (weight percent).

NI - real

NI is the nickel concentration (weight percent).

MO - real

MO is the molybdenum concentration (weight percent).

CR - real

CR is the chromium concentration (weight percent).

V - real

V is the vanadium concentration (weight percent).

AL - real

AL is the dissolved aluminium (weight percent).

TI - real

TI is the dissolved titanium (weight percent).

CO - real

CO is the dissolved cobalt (weight percent).

NB - real

NB is the dissolved niobium (weight percent).

TA - real

TA is the dissolved tantalum (weight percent).

W - real

W is the dissolved tungsten (weight percent).

ZR - real

ZR is the dissolved zirconium (weight percent).

CU - real

CU is the dissolved copper (weight percent).

Output parameters

F - real

F is the activity coefficient for nitrogen.

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Error Indicators

None.

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Accuracy

No information supplied.

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Further Comments

None.

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Example

1. Program text

      DOUBLE PRECISION AL,TI,CO,NB,TA,W,ZR,CU
      DOUBLE PRECISION C,SI,MN,NI,MO,CR,V,F
C
      WRITE(*,*) 'Input C, Si, Mn, Ni, Mo, Cr, V (wt%):'
      READ (*,*) C, SI, MN, NI, MO, CR, V
      WRITE(*,*) 'Input Al, Ti, Co, Nb, Ta, W, Zr, Cu (wt%):'
      READ (*,*) AL, TI, CO, NB, TA, W, ZR, CU
      CALL MAP_STEEL_NITR(C,SI,MN,NI,MO,CR,V,F,AL,TI,CO,NB,TA,W,
     &                    ZR,CU)
      WRITE (*,1) F
      STOP
    1 FORMAT(' Activity coefficient = ',F7.4)
      END

2. Program data

 Input C, Si, Mn, Ni, Mo, Cr, V (wt%):
    0.05 0.5 1.0 0.0 0.0 0.5 0.5
 Input Al, Ti, Co, Nb, Ta, W, Zr, Cu (wt%):
      0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0

3. Program results

 Activity coefficient =  0.8780

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Auxiliary Routines

None.

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Keywords

activity coefficient, nitrogen, concentration, steel, weld, interaction coefficient

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Download

Download source code

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