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Program MAP_STEEL_MTTTDATA

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

Provenance of Source Code

T Okumura and T. Sourmail
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge CB2 3QZ, U.K.

E-mail: T. Okumura

Added to MAP: Aug 2004.

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Purpose

A powerful suite of software for modelling of the thermodynamics and kinetics of solid-state transformations in steels. Calculates Widmanstatten, Bainite and Martensite start temperatures.This program is to be used with MTDATA.

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Specification

Language: Fortran
Product form: Source cord
Platform: Linux

Complete program.

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Description

MTTTDATA is a very powerful program for the modelling of transformations in steels. This program enable you to calculate not only TTT diagrams but kinetic and thermodynamic information such as free energy changes accompanying phase transformations. And MTTTDATA is a sophisticated combination of MUCG73(46) and MTDATA thermodynamics database software.

Files
input1.datInput data file
composition1.datChemical composition data
T0_data.mpiContains the inputs for MTDATA
RESULTContains the output data
RESULT.xlsSpread sheet data for obtaining fitting parameters used in the program

Follow the steps listed below to use the module:

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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. S. M. Hodson, MTDATA-Metallurgical and Thermochemical Databank, National Physical Laboratory, Teddington, UK (1989)

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Parameters

Input parameters

file input1.dat
FILNAM - CHARACTER
File name of MTDATA input file (mpi file).
Default name is T0_data.mpi

LOWERT - DOUBLE PRECISION
Lower temperature limit (Kelvin).

UPPERT - DOUBLE PRECISION
Upper temperature limit (Kelvin).
Calculation is performed between LOWERT and UPPERT inclusive.

STEP - DOUBLE PRECISION
Step Temperature (Kelvin).

STOREN - DOUBLE PRECISION
Stored energy required for bainite transformation (J/mol).

WSTOREN - DOUBLE PRECISION
Stored energy required for Widmanstatten ferrite formation (J/mol).

SLOPE - DOUBLE PRECISION
Inclination of GN function (J/mol/K).
Default value is 4.475.

SECT - DOUBLE PRECISION
Intercept of GN function (J/mol).
Default value is 4516.4.

DEPS - DOUBLE PRECISION
Accuracy of calculation (J/mol).

TTT(1-8) - DOUBLE PRECISION
Parameters of equations for FUNCTION SHEAR and DIFFU (transformation start time calculation).


file composition1.dat

CHOICE - INTEGER
1 - compositing in wt%
2- composition in mol%

COMPO(1-12) - DOUBLE PRECISION
chemical composition of each element (unit is defined by CHOICE).

Default element number
NumberElement
1Fe*
2Cr
3Co
4Ni
5Mo
6Mn
7Si
8Al
9Cu
10V
11Nb
12C

You can modify this by editing or re-making mpi file.
(You also need to modify the source code for consistency.)

Output parameters

file RESULTS
TEMP - DOUBLE PRECISION
Transformation temperature (Kelvin).

GN - DOUBLE PRECISION
Gibbs free energy required for displacive nucleation (J/mol).

GMAX - DOUBLE PRECISION
Driving force for nucleation (J/mol).

FPRO - DOUBLE PRECISION
Driving force for diffusional transformation by a paraequilibrium mechanism. All driving forces are for the paraequilibrium state. (J/mol).

FTO - DOUBLE PRECISION
Driving force for diffusionless transformation. (Fig. 6.2c, Ref. 2) (J/mol).

XNUCLEUS - DOUBLE PRECISION
Optimum nucleus carbon concentration (mole fraction).
N.B. MTDATA only deals with carbon concentration of more than 10-6 mole fraction in the STAGE_1 mode (default).
So that the minimum Value of XNUCLEUS is 1.1x10-6, but the error is always less than 10-1 J/mol and usually negligible.
Please refer to the MTDATA manual.

XEQ - DOUBLE PRECISION
Paraequilibrium carbon concentration of austenite (mole fraction).

XA - DOUBLE PRECISION
Paraequilibrium carbon concentratino of ferrite (mole fraction).

XW - DOUBLE PRECISION
Maximum bulk carbon concentration where Widmanstatten ferrite forms (mole fraction).
i.e. Carbon concentration where FPRO equals to WSTOREN.

XTO - DOUBLE PRECISION
T-zero carbon concentration (Fig. 1.4, Ref. 2) (mole fractino).

XTO400 - DOUBLE PRECISION
Same as XTO, but with the strain energy (STOREN) in the ferrite, to allow calculations on bainite (Fig. 1.4, Ref. 2) (mole fraction).

VOLF - DOUBLE PRECISION
Ideal volume fraction transformed.

SHEART and DIFFT - DOUBLE PRECISION
Transformation start times of the lower and upper C-curves of the TTT diagram (Ref. 1) (sec).

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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

Complete program.

2. Program data

input1.dat 
T0_data.mpi     FILE NAME (****.MPI)
473             LOWEST TEMPERATURE  (K)
1273            HIGHEST TEMPERATURE (K)
10              TEMPERATURE STEP (K/S)
400             STORED ENERGY NEEDED FOR BAINITE GROWTH (J/MOL)
50              STORED ENDRGY NEEDED FOR WID FERRITE GROWTH (J/MOL)
4.475           GN FUNCTION SLOPE
4516.4          GN FUNCTION INTERCEPT (NEGATIVE)
0.01            ACCURACY IN GIBBS FREE ENERGY
259600           Q' SHEAR
-168.9          C4 SHEAR
-5              p  SHEAR
25              Z  SHEAR
478700          Q' DIFFU
-211.9          C4 DIFFU
-3              P  DIFFU
25              Z  DIFFU
composition1.dat 
Fe,Cr,Co,Ni,Mo,Mn,Si,Al,Cu,V,Nb,C,
1               #1:wt% 2:mol%
96.157          Fe
0.001           Cr
0.5             Co
4.08            Ni
0.0             Mo
0.001           Mn
2.05            Si
0.1             Al
0.5             Cu
0.001           V
0.              Nb
0.39            C

3. Program results

RESULTS 

 WEIGHT %
   Fe= 92.3770   Cr=  0.0010   Co=  0.5000   Ni=  4.0800   Mo=  0.0000   Mn=  0.0010
   Si=  2.0500   Al=  0.1000   Cu=  0.5000    V=  0.0010   Nb=  0.0000    C=  0.3900
 MOL FRACTION
   Fe=  0.8945   Cr=  0.0000   Co=  0.0046   Ni=  0.0376   Mo=  0.0000   Mn=  0.0000
   Si=  0.0395   Al=  0.0020   Cu=  0.0043    V=  0.0000   Nb=  0.0000    C=  0.0176
  TEMP,  GN,   GMAX,  FPRO,  FTO,   X NUCLEUS,   XEQ,     XA,    XW ,    XTO, XTO400,   VOLF,   SHEART, DIFFT
  473. -2400. -2999. -2427. -2091.  0.11E-05  0.1991  0.53E-04  0.1741  0.0595  0.0515  0.9120 0.63E+05 0.19E+18
  483. -2355. -2917. -2403. -2070.  0.11E-05  0.1958  0.62E-04  0.1708  0.0583  0.0503  0.9106 0.31E+05 0.28E+17
  493. -2310. -2835. -2326. -1998.  0.11E-05  0.1926  0.72E-04  0.1675  0.0572  0.0491  0.9092 0.16E+05 0.45E+16
  503. -2265. -2754. -2250. -1925.  0.11E-05  0.1893  0.83E-04  0.1642  0.0561  0.0479  0.9076 0.88E+04 0.80E+15
  513. -2221. -2673. -2174. -1853.  0.11E-05  0.1860  0.96E-04  0.1609  0.0549  0.0467  0.9061 0.50E+04 0.15E+15
  523. -2176. -2593. -2099. -1782.  0.11E-05  0.1826  0.11E-03  0.1575  0.0537  0.0455  0.9044 0.29E+04 0.32E+14
  533. -2131. -2513. -2024. -1711.  0.11E-05  0.1792  0.12E-03  0.1541  0.0526  0.0443  0.9026 0.18E+04 0.71E+13
  543. -2086. -2433. -1950. -1640.  0.11E-05  0.1758  0.14E-03  0.1506  0.0514  0.0430  0.9008 0.11E+04 0.17E+13
  553. -2042. -2354. -1876. -1569.  0.11E-05  0.1723  0.15E-03  0.1471  0.0502  0.0418  0.8989 0.75E+03 0.44E+12
  563. -1997. -2275. -1803. -1499.  0.11E-05  0.1688  0.17E-03  0.1436  0.0490  0.0405  0.8969 0.51E+03 0.12E+12
  573. -1952. -2197. -1731. -1430.  0.11E-05  0.1652  0.19E-03  0.1400  0.0478  0.0392  0.8947 0.36E+03 0.35E+11
  583. -1907. -2119. -1659. -1361.  0.11E-05  0.1616  0.21E-03  0.1364  0.0465  0.0379  0.8925 0.26E+03 0.11E+11
  593. -1863. -2042. -1589. -1293.  0.11E-05  0.1579  0.23E-03  0.1328  0.0453  0.0366  0.8901 0.20E+03 0.34E+10
  603. -1818. -1965. -1519. -1225.  0.11E-05  0.1543  0.25E-03  0.1291  0.0441  0.0353  0.8876 0.15E+03 0.12E+10
  613. -1773. -1889. -1449. -1158.  0.11E-05  0.1505  0.27E-03  0.1254  0.0428  0.0340  0.8849 0.12E+03 0.42E+09
  623. -1728. -1814. -1381. -1091.  0.11E-05  0.1467  0.29E-03  0.1216  0.0416  0.0327  0.8821 0.96E+02 0.16E+09
  633. -1684. -1739. -1313. -1025.  0.27E-05  0.1429  0.31E-03  0.1178  0.0403  0.0314  0.8790 0.80E+02 0.61E+08
  643. -1639. -1665. -1246.  -960.  0.34E-05  0.1391  0.33E-03  0.1140  0.0390  0.0300  0.8758 0.68E+02 0.25E+08
  653. -1594. -1592. -1180.  -895.  0.41E-05  0.1352  0.35E-03  0.1102  0.0377  0.0287  0.8723 0.60E+02 0.11E+08
  663. -1549. -1519. -1116.  -831.  0.50E-05  0.1312  0.37E-03  0.1063  0.0365  0.0273  0.8686 0.54E+02 0.48E+07
  673. -1505. -1447. -1052.  -768.  0.61E-05  0.1272  0.39E-03  0.1024  0.0352  0.0260  0.8646 0.49E+02 0.22E+07
  683. -1460. -1376.  -989.  -706.  0.74E-05  0.1232  0.41E-03  0.0984  0.0339  0.0246  0.8603 0.47E+02 0.11E+07
  693. -1415. -1306.  -927.  -644.  0.89E-05  0.1191  0.43E-03  0.0944  0.0326  0.0232  0.8556 0.45E+02 0.53E+06
  703. -1370. -1236.  -866.  -583.  0.11E-04  0.1149  0.44E-03  0.0904  0.0313  0.0219  0.8505 0.45E+02 0.27E+06
  713. -1326. -1168.  -807.  -523.  0.13E-04  0.1108  0.46E-03  0.0864  0.0300  0.0205  0.8450 0.45E+02 0.15E+06
  723. -1281. -1100.  -749.  -464.  0.15E-04  0.1065  0.48E-03  0.0823  0.0287  0.0191  0.8389 0.47E+02 0.82E+05
  733. -1236. -1033.  -692.  -406.  0.18E-04  0.1023  0.49E-03  0.0782  0.0274  0.0177  0.8323 0.51E+02 0.47E+05
  743. -1191.  -967.  -636.  -349.  0.21E-04  0.0980  0.50E-03  0.0741  0.0261  0.0163  0.8249 0.56E+02 0.28E+05
  753. -1147.  -903.  -582.  -293.  0.24E-04  0.0936  0.51E-03  0.0700  0.0248  0.0149  0.8168 0.63E+02 0.17E+05
  763. -1102.  -839.  -529.  -237.  0.28E-04  0.0892  0.52E-03  0.0658  0.0235  0.0135  0.8078 0.73E+02 0.11E+05
  773. -1057.  -776.  -477.  -183.  0.33E-04  0.0848  0.52E-03  0.0616  0.0222  0.0121  0.7977 0.88E+02 0.72E+04
  783. -1012.  -715.  -428.  -130.  0.38E-04  0.0804  0.52E-03  0.0575  0.0209  0.0108  0.7868 0.11E+03 0.49E+04
  793.  -968.  -654.  -380.   -78.  0.43E-04  0.0758  0.52E-03  0.0533  0.0196  0.0094  0.7736 0.14E+03 0.35E+04
  803.  -923.  -595.  -334.   -27.  0.49E-04  0.0712  0.52E-03  0.0491  0.0183  0.0080  0.7590 0.19E+03 0.25E+04
  813.  -878.  -537.  -289.    22.  0.56E-04  0.0666  0.51E-03  0.0450  0.0170  0.0066  0.7422 0.27E+03 0.20E+04
  823.  -833.  -480.  -247.    70.  0.64E-04  0.0620  0.50E-03  0.0409  0.0157  0.0052  0.7227 0.40E+03 0.16E+04
  833.  -789.  -425.  -207.   117.  0.73E-04  0.0574  0.49E-03  0.0368  0.0144  0.0039  0.7000 0.63E+03 0.13E+04
  843.  -744.  -371.  -170.   163.  0.82E-04  0.0527  0.47E-03  0.0327  0.0132  0.0025  0.6730 0.11E+04 0.12E+04
  853.  -699.  -318.  -135.   207.  0.93E-04  0.0481  0.45E-03  0.0287  0.0119  0.0012  0.6407 0.20E+04 0.11E+04
  863.  -654.  -267.  -102.   250.  0.10E-03  0.0434  0.43E-03  0.0248  0.0107  0.0000  0.6012 0.42E+04 0.12E+04
  873.  -610.  -218.   -73.   292.  0.12E-03  0.0387  0.40E-03  0.0210  0.0095  0.0000  0.5521 0.10E+05 0.13E+04
  883.  -565.  -170.   -48.   331.  0.13E-03  0.0340  0.37E-03  0.0173  0.0083  0.0000  0.4896 0.32E+05 0.18E+04
  893.  -520.  -123.   -27.   370.  0.15E-03  0.0294  0.33E-03  0.0137  0.0071  0.0000  0.4075 0.14E+06 0.30E+04
  903.  -475.   -79.   -11.   406.  0.16E-03  0.0248  0.29E-03  0.0104  0.0060  0.0000  0.2954 0.12E+07 0.74E+04
  913.  -431.   -36.    -2.   441.  0.18E-03  0.0202  0.25E-03  0.0072  0.0049  0.0000  0.1342 0.55E+08 0.51E+05
 MS=    623. K
 BS=    653. K
 WS1=   653. K
 WS2=   0. K
 WS3=   0. K

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Auxiliary Routines

MOLAR_GIBBS_ENERGIES
FIND_T0
FIND_GM
FIND_WID
READ_COMPOSITION
ONLY_NORM
TO_MOLS
SETCOM
SHEAR
DIFFU

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Keywords

Widmanstatten ferrite, bainite, martensite, start temperature

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Download

Download source code

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MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.

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