Materials Algorithms Project
Program Library

Program MAP_STEEL_MUCG46

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.

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Purpose

A powerful suite of software for modelling of the thermodynamics and kinetics of solid-state transformations in steels.

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Specification

PROGRAM MAP_STEEL_MUCG46

DOUBLE PRECISION BDIF(40), BSH(40), BTEM(40), C(8), DFPRO(40), DDFTO(40),
& DT4(40), DXQ(40)

DOUBLE PRECISION A, A1, A44, AEQ, AFE, AFE44, AFEQ, AJ, AJ1, BS, CONST,
& CORR,CTEMP, DA44, DAFE44, DF441, DIFFT, ETEQ, ETEQ2, F, F44, FPRO,
& FPROA, FSON, FTO, GMAX, H, H1, MS, R, S, S1, SHEART, SLOPE, STRAIN, T,
& T10, T20, TEQ, TEQ2, V14, W, W1, WS, WS1, X, XA, X1, X44, XBAR, XEQ,
& XEQ2, XMS, XTO, XTO400

DOUBLE PRECISION MAP_STEEL_AFEG, MAP_STEEL_CG, MAP_STEEL_DAFEG,
& MAP_STEEL_DCG, MAP_STEEL_ENERGY, MAP_STEEL_FTO1, MAP_STEEL_WSFUN

INTEGER I, IK, IMAX, J1, J2, J5, J6, J8, J98, J99

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Description

MAP_STEEL_MUCG46 is a very powerful program for the modelling of transformations in steels. Many people use it to calculate a TTT diagram, but there is in fact an enormous amount of phase diagram and kinetic and thermodynamic information generated in the file OUT.OUTwhich is created each time the program is run. This program is essential for any of the solid state phase transformations from austenite to martensite, bainite, WidmanstŠtten ferrite, allotriomorphic ferrite etc.

The TTT diagram consists of two C-curves for the initiation of transformation [ 1]. The higher temperature C-Curve is for reconstructive ("diffusional") reactions such as allotriomorphic ferrite and bainite. The lower C-curve is for displacive reactions such as WidmanstŠtten ferrite, bainite and acicular ferrite [ 2, pp. 175-185 & 124-134, Chapter 6].

• The file OUT.OUTcontains the concentrations (C, Si, Mn, Ni, Mo, Cr & V) in wt.% and mole fraction (atomic % /100).
• FPROis the driving force for allotriomorphic ferrite formation by a paraequilibrium mechanism. All driving forces are in units of J/mol and all calculations are for the paraequilibrium state.
• GMAXis the driving force for nucleation (Fig. 6.2b, Ref. 2).
• CTEMPis the temperature in centigrade.
• XNUCLEUSis the optimum nucleus carbon concentration in mole fraction.
• XEQis the paraequilibrium carbon concentration of austenite in mole fraction.
• XEQ50is the same as XEQbut allowing for 50 J/mol of strain energy in the ferrite in order to do calculations for Widmanstatten ferrite.
• FTOis the driving force for diffusionless transformation (Fig. 6.2c, Ref. 2).
• XTOis the T-zero carbon concentration in mole fraction (Fig. 1.4, Ref. 2).
• XTO400is the same as XTO, but with 400 J/mol of stored energy in the ferrite, to allow calculations on bainite (Fig. 1.4, Ref. 2).
• SHEARTand DIFFTare the times in seconds of the lower and upper C-curves of the TTT diagram (Ref. 1).

The program asks for compositions (in wt.%) of seven constituents to be supplied. There are maximum and minimum limits imposed on each constituent as shown :-

The program will return an error message and ask for the data to be entered again if these limits are exceeded.

The maximum number of different alloys which can be analysed in a single run is set by the variable J1(currently 20).

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References

1. H.K.D.H. Bhadeshia, A thermodynamic analysis of isothermal transformation diagrams, Metal Science, 16(1982) 159-165.
2. H.K.D.H. Bhadeshia, Bainite in Steels , Institute of Materials, London (2001), 1-450.
3. H.K.D.H. Bhadeshia, Rationalisation of Shear Transformations in Steels, Acta Metallurgica, Vol. 29, 1981, pp. 1117-1130.
4. H.K.D.H. Bhadeshia, Critical Assessment of Growth of Plates in Steels, Materials Science and Technology, Vol. 1, 1985, pp. 497-504.

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Parameters

Input parameters

C- real array of dimension 8

C holds the composition of each alloy:-

C(1) is the Carbon concentration (in weight percent).

C(2) is the Silicon concentration (in weight percent).

C(3) is the Manganese concentration (in weight percent).

C(4) is the Nickel concentration (in weight percent).

C(5) is the Molybdenum concentration (in weight percent).

C(6) is the Chromium concentration (in weight percent).

C(7) is the Vanadium concentration (in weight percent).

C(8) is the Ferrite concentration (not entered).

J6- integer

J6 is the identifying number of each alloy to be examined.

Output parameters

None

All output is to STDOUT.

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Error Indicators

Allowable composition ranges limited - see Description.

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Accuracy

No information supplied.

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Further Comments

None.

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Example

1. Program text

       N/A - complete program

2. Program data

1
0.39  2.05  0.00  4.08  0.00  0.00  0.00

3. Program results

-------------------------------------------------------------------------------------------------------------------------------
    
 *******NUMBER      1  *********
C= 0.3900  SI= 2.0500  MN= 0.0000  NI= 4.0800  MO= 0.0000  CR= 0.0000   V= 0.0000
C= 0.0176  SI= 0.0395  MN= 0.0000  NI= 0.0376  MO= 0.0000  CR= 0.0000   V= 0.0000



    
CARBON CONTENT=  0.01756  T10=  0.367363  T20= -0.379855   WGAMMA=  8732.
-------------------------------------------------------------------------------------------------------------------------------
   FPRO  FPROA   GMAX  CTEMP  X NUCLEUS  FSON      XEQ    XEQ50   FTO      XTO        X44   XTO400       SHEART     DIFFT   
  -2303. -2527. -2780.  200.  0.25D-07  -2752.   0.1880   0.1867 -1903.  0.0669  4  0.0505  0.0542  6   0.32D+05   0.39D+24
    1    0.32D+05    0.39D+24    0.20D+03
  -2167. -2385. -2641.  220.  0.57D-07  -2610.   0.1821   0.1807 -1780.  0.0653  3  0.0479  0.0513  5   0.77D+04   0.22D+22
    2    0.77D+04    0.22D+22    0.22D+03
  -2032. -2244. -2493.  240.  0.12D-06  -2468.   0.1761   0.1746 -1672.  0.0621  6  0.0452  0.0484  5   0.22D+04   0.20D+20
    3    0.22D+04    0.20D+20    0.24D+03
  -1898. -2104. -2352.  260.  0.24D-06  -2327.   0.1699   0.1684 -1552.  0.0588  6  0.0425  0.0455  5   0.76D+03   0.26D+18
    4    0.76D+03    0.26D+18    0.26D+03
  -1764. -1964. -2210.  280.  0.46D-06  -2185.   0.1636   0.1620 -1433.  0.0557  5  0.0398  0.0426  5   0.30D+03   0.51D+16
    5    0.30D+03    0.51D+16    0.28D+03
  -1631. -1825. -2068.  300.  0.84D-06  -2044.   0.1572   0.1554 -1313.  0.0525  5  0.0370  0.0397  5   0.13D+03   0.14D+15
    6    0.13D+03    0.14D+15    0.30D+03
  -1500. -1687. -1926.  320.  0.15D-05  -1902.   0.1505   0.1487 -1193.  0.0492  5  0.0343  0.0367  5   0.68D+02   0.52D+13
    7    0.68D+02    0.52D+13    0.32D+03
  -1369. -1549. -1784.  340.  0.25D-05  -1761.   0.1436   0.1417 -1073.  0.0459  5  0.0316  0.0338  4   0.39D+02   0.25D+12
    8    0.39D+02    0.25D+12    0.34D+03
  -1240. -1413. -1642.  360.  0.41D-05  -1620.   0.1365   0.1344  -953.  0.0427  5  0.0288  0.0308  4   0.25D+02   0.16D+11
    9    0.25D+02    0.16D+11    0.36D+03
  -1112. -1277. -1500.  380.  0.64D-05  -1479.   0.1290   0.1269  -833.  0.0394  5  0.0260  0.0278  4   0.17D+02   0.13D+10
   10    0.17D+02    0.13D+10    0.38D+03
   -999. -1157. -1374.  400.  0.99D-05  -1353.   0.1220   0.1197  -729.  0.0365  5  0.0238  0.0251  4   0.13D+02   0.12D+09
   11    0.13D+02    0.12D+09    0.40D+03
   -899. -1051. -1264.  420.  0.15D-04  -1242.   0.1154   0.1130  -639.  0.0340  5  0.0221  0.0234  3   0.10D+02   0.14D+08
   12    0.10D+02    0.14D+08    0.42D+03
   -800.  -946. -1150.  440.  0.22D-04  -1131.   0.1086   0.1061  -548.  0.0316  5  0.0205  0.0213  4   0.88D+01   0.19D+07
   13    0.88D+01    0.19D+07    0.44D+03
   -703.  -842. -1038.  460.  0.31D-04  -1019.   0.1016   0.0989  -458.  0.0290  5  0.0189  0.0192  4   0.84D+01   0.30D+06
   14    0.84D+01    0.30D+06    0.46D+03
   -608.  -739.  -926.  480.  0.44D-04   -908.   0.0943   0.0914  -367.  0.0265  5  0.0173  0.0169  4   0.88D+01   0.59D+05
   15    0.88D+01    0.59D+05    0.48D+03
   -514.  -637.  -815.  500.  0.60D-04   -797.   0.0867   0.0836  -277.  0.0251  4  0.0156  0.0145  4   0.10D+02   0.14D+05
   16    0.10D+02    0.14D+05    0.50D+03
   -423.  -537.  -702.  520.  0.82D-04   -686.   0.0788   0.0755  -186.  0.0229  4  0.0140  0.0119  4   0.14D+02   0.39D+04
   17    0.14D+02    0.39D+04    0.52D+03
   -335.  -440.  -590.  540.  0.11D-03   -576.   0.0704   0.0670   -96.  0.0205  4  0.0124  0.0093  4   0.22D+02   0.14D+04
   18    0.22D+02    0.14D+04    0.54D+03
   -250.  -344.  -479.  560.  0.14D-03   -465.   0.0617   0.0579    -5.  0.0178  5  0.0107  0.0063  5   0.43D+02   0.60D+03
   19    0.43D+02    0.60D+03    0.56D+03
   -171.  -252.  -372.  580.  0.19D-03   -355.   0.0525   0.0484    85.  0.0152  5  0.0090  0.0032  5   0.11D+03   0.34D+03
   20    0.11D+03    0.34D+03    0.58D+03
    -99.  -165.  -255.  600.  0.24D-03   -245.   0.0426   0.0382     0.  0.0123  5  0.0073  0.0000  5   0.51D+03   0.35D+03
   21    0.51D+03    0.35D+03    0.60D+03
    -39.   -84.  -144.  620.  0.31D-03   -136.   0.0321   0.0272     0.  0.0093  5  0.0056  0.0000  1   0.67D+04   0.86D+03
   22    0.67D+04    0.86D+03    0.62D+03
    -37.   -80.  -144.  640.  0.38D-03   -131.   0.0314   0.0265     0.  0.0094  1  0.0096  0.0000  1   0.50D+04   0.22D+03
   23    0.50D+04    0.22D+03    0.64D+03
     -7.   -27.   -54.  660.  0.47D-03    -49.   0.0229   0.0177     0.  0.0070  5  0.0096  0.0000  1   0.52D+06   0.31D+04
   24    0.52D+06    0.31D+04    0.66D+03

    ***** FTO VERSUS TEMPERATURE ****   
   INTERCEPT= -0.3020D+04    SLOPE= 0.567D+01    CORRELATION=  0.9990         

  
 WIDMANSTATTEN START TEMPERATURES    460. &    460.
 NUCLEATION LIMITED BAINITE START TEMP=   460. C
     MARTENSITE START TEMPERATURE=   319. C
-------------------------------------------------------------------------------------------------------------------------------
-------------------------------------------------------------------------------------------------------------------------------

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Auxiliary Routines

Steel Subroutines

MAP_STEEL_AXTO
MAP_STEEL_GMAAX
MAP_STEEL_OMEGA
MAP_STEEL_TTTT
MAP_STEEL_WSTINE

Steel Functions

MAP_STEEL_AFEG
MAP_STEEL_CG
MAP_STEEL_DAFEG
MAP_STEEL_DCG
MAP_STEEL_ENERGY
MAP_STEEL_FTO1
MAP_STEEL_WSFUN

Utility Subroutines

MAP_UTIL_ANALY
MAP_UTIL_REED
MAP_UTIL_REEDI

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Keywords

Widmanstatten, bainite, martensite, start temperature

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Download

Download source code

Download compiled executable for Windows

Download compiled executable for Macintosh

Download compiled executable for Macintosh Yosemite imac

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