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MACRO PARA UNA ISOTERMA DE UN DIAGRAMA

TERNARIO

THERMO CALC version M for PC / Windows NT


Copyright (1993,1995) Foundation for Computational Thermodynamics,
Stockholm, Sweden
Double precision version linked at 08-17-98 16:31:34
For use at: Pontificia Universidade Catolica
By only: Fernando Rizzo, Roberto R. de Avillez

SYS:

go d

THERMODYNAMIC DATABASE module running on PC/WINDOWS NT


Current database: Kaufman binary alloys database

TDB_KP:

sw-d

Use one of these databases

KP

= Kaufman binary alloys database

PURE

= SGTE pure element database

GEO

= Saxena geochemical database

G35

= Semiconductor III-V binary database

AQ

= TC public aqueous solution database

PSUB

= TC public pure substance database

PION

= TC public ionic database

BIN97 = TC public binary solution database


BIN

= Binary database

TER98 = TC public ternary solution database


SUB94 = TC Banco de dados das substancias
1

SSOL

= TC banco de dados SGTE das substancias

POT

= TC banco de dados para diagramas de potenciais

IRSID = IRSID database


ION

= Ionic KTH database

CHAT

= Chatenary post-transitional binarys

SLAG

= Fe slag database

IFACO = Interstitial Free Steel database


COST

= Cost507 version 1999 database

FRIB

= Fridberg Dilute Fe-alloy Database

BISH

= Bishop Dilute Al-alloy Database

MOB2

= TCAB Alloy Mobility Solution Database

OIKA

= Oikawa Dilute Fe-alloy Database

USER

= User defined Database

DATABASE NAME /KP/:

ssol

Current database: TC banco de dados SGTE das substancias

VA DEFINED
B2_BCC

L12_FCC

AL5FE4:

GAS:G REJECTED
TDB_SSOL:

d-e

ELEMENTS:

Fe Cr Ni

FE

CR

NI

DEFINED
TDB_SSOL:

rej ph *

LIQUID:L

FCC_A1

HCP_A3

CBCC_A12

SIGMA

CHI_A12

BCC_A2
CUB_A13
FE4N
2

AL3NI2

ALNI_B2

CR3SI

CRSI2 REJECTED
TDB_SSOL:

res ph fcc bcc liq sigma

FCC_A1

BCC_A2

LIQUID:L

SIGMA RESTORED
TDB_SSOL:

get

REINITIATING GES5 .....


ELEMENTS .....
SPECIES ......
PHASES .......
PARAMETERS ...

List of references for assessed data

'Alan Dinsdale, SGTE Data for Pure Elements,


Calphad Vol 15(1991) p 317-425,
also in NPL Report DMA(A)195 Rev. August 1990'
'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195
September 1989'
'J-O Andersson, B. Sundman, CALPHAD Vol 11, (1987), p 83-92
TRITA 0270 (1986); CR-FE'
'Byeong-Joo Lee, unpublished revision (1991); C-Cr-Fe-Ni'
'Unassessed parameter, linear combination of unary data. (MU, SIGMA)'
'P. Gustafson, Calphad Vol 11 (1987) p 277-292,
TRITA-MAC 320 (1986); CR-NI-W '
'A. Dinsdale, T. Chart, MTDS NPL, unpublished work (1986); FE-NI'
'A. Dinsdale, T. Chart, MTDS NPL, Unpublished work (1986); CR-NI'

The list of references can be obtained in the Gibbs Energy System also
by the command LIST_DATA and option R

BINARY L0 PARAMETERS ARE MISSING


CHECK THE FILE MISSING.PAR FOR COMPLETE INFO
-OKTDB_SSOL:

go p-3

POLY version 3.30, Feb 1996


POLY_3:

s-c t=923 p=101325 n=1 w(Cr)=0.1 w(Ni)=0.2

POLY_3:

c-e

Forcing automatic start values


Automatic start values will be set
46 ITS, CPU TIME USED 0 SECONDS
POLY_3:l-e
Output file: /SCREEN/:
Options /VWCS/:
Output from POLY-3, equilibrium number =

1, label A0

Conditions:
T=923, P=101325, N=1, W(CR)=1E-1, W(NI)=2E-1
DEGREES OF FREEDOM 0

Temperature 923.00, Pressure 1.013250E+05


Number of moles of components 1.00000E+00, Mass 5.59747E+01
Total Gibbs energy -4.26682E+04, Enthalpy 2.47585E+04, Volume
5.81258E-06

Component

Moles

W-Fraction Activity Potential Ref.state

CR

1.0765E-01 1.0000E-01 5.8785E-03 -3.9419E+04 SER

FE

7.0160E-01 7.0000E-01 6.1196E-03 -3.9110E+04 SER

NI

1.9075E-01 2.0000E-01 5.5079E-04 -5.7589E+04 SER

FCC_A1#1

Status ENTERED

Driving force 0.0000E+00

Number of moles 1.0000E+00, Mass 5.5975E+01

Mass fractions:

FE 7.00000E-01 NI 2.00000E-01 CR 1.00000E-01


POLY_3:

s-a-v

Axis number: /1/:


Condition /NONE/:

w(Cr)

Min value /0/:


Max value /1/:
Increment /.025/:
POLY_3:s-a-v
Axis number: /2/:
Condition /NONE/:

w(Ni)

Min value /0/:


Max value /1/:
Increment /.025/:
POLY_3:

map

Organizing start points

No initial equilibrium added, trying to fix one


Organizing start points
Phase region boundary for:
5

FCC_A1
** SIGMA
Iterations, Values
4 1.736E-01 2.000E-01
4 1.722E-01 1.894E-01
4 1.700E-01 1.717E-01
4 1.680E-01 1.540E-01
4 1.661E-01 1.362E-01
4 1.644E-01 1.185E-01
3 1.636E-01 1.102E-01
*** Buffer saved on file:
RESULT.PL3

POLY_3:

post

POLY-3 POSTPROCESSOR VERSION 3.2 , last update 1996-12-12


Setting automatic diagram axis

POST:

s-d-a

AXIS (X, Y OR Z) :
VARIABLE :

w-f

FOR COMPONENT :
POST:

s-d-a

AXIS (X, Y OR Z) :
VARIABLE :

w-f

FOR COMPONENT :
POST:

Ni

Cr

s-d-ty

TRIANGULAR DIAGRAM (Y OR N) /N/:

y
6

PLOT 3:RD AXIS (Y OR N) /Y/:

CLIP ALONG 3:RD AXIS (Y OR N) /Y/:


POST:

plot

PLOTFILE : /SCREEN/:
POST: