H.7: SUBL-EX.DAT

Directory

Contents of data-file subl-ex.dat

System components: 

  1: Co                        2: Cr                        3: Fe                      

Phases: 

  1: BCC#1                     2: BCC#2                     3: SIGMA:30#1              
  4: SIGMA:30#2              

Phase constituents of mixture phases:

Phase: BCC#1                    Model: RKMP   Status: ENTERED   
  1: Co                        2: Cr                        3: Fe                      

Phase: BCC#2                    Model: RKMP   Status: ENTERED   
  1: Co                        2: Cr                        3: Fe                      

Phase: SIGMA:30#1               Model: SUBL   Status: ENTERED   
  1: Co:Cr:Co                  2: Co:Cr:Cr                  3: Co:Cr:Fe                
  4: Fe:Cr:Co                  5: Fe:Cr:Cr                  6: Fe:Cr:Fe                

Phase: SIGMA:30#2               Model: SUBL   Status: ENTERED   
  1: Co:Cr:Co                  2: Co:Cr:Cr                  3: Co:Cr:Fe                
  4: Fe:Cr:Co                  5: Fe:Cr:Cr                  6: Fe:Cr:Fe                



Data-file

 Co-Cr-Fe                          See commentary below!         GTT July 1999
   3   5   0   3   3   6   6   0
 Co                       Cr                       Fe                      
      58.9332                  51.9960                  55.8470
   4   1   2   4   5
   4   1   2   4   5
 BCC
 RKMP 
 Co                       
  1 1   1.0   0.0   0.0
  2000.0000      6953.1800     0.00000000     -.63137000E-02 0.28037000E-05
 Cr                       
  1 1   0.0   1.0   0.0
  2000.0000     0.00000000     0.00000000     0.00000000     0.00000000    
 Fe                       
  1 1   0.0   0.0   1.0
  2000.0000     0.00000000     0.00000000     0.00000000     0.00000000    
   2
   1   2   3
  30965.780     -27.614000     0.00000000     0.00000000    
  11865.820      8.2801000     0.00000000     0.00000000    
  20145.960     0.00000000     0.00000000     0.00000000    
   2
   1   3   2
 -38417.500     0.00000000     0.46870000E-01 -.19131800E-04
 -1472.7700     0.00000000     -.31652000E-02 0.25690000E-05
   2
   2   3   2
  25104.000     -11.427300     0.00000000     0.00000000    
 0.00000000     -1.2041600     0.00000000     0.00000000    
   3
   1   2   3   3
 -16736.000      12.552000     0.00000000     0.00000000    
 -16736.000      12.552000     0.00000000     0.00000000    
 -16736.000      12.552000     0.00000000     0.00000000    
   0
 BCC
 RKMP 
 Co                       
  1 1   1.0   0.0   0.0
  2000.0000      6953.1800     0.00000000     -.63137000E-02 0.28037000E-05
 Cr                       
  1 1   0.0   1.0   0.0
  2000.0000     0.00000000     0.00000000     0.00000000     0.00000000    
 Fe                       
  1 1   0.0   0.0   1.0
  2000.0000     0.00000000     0.00000000     0.00000000     0.00000000    
   2
   1   2   3
  30965.780     -27.614000     0.00000000     0.00000000    
  11865.820      8.2801000     0.00000000     0.00000000    
  20145.960     0.00000000     0.00000000     0.00000000    
   2
   1   3   2
 -38417.500     0.00000000     0.46870000E-01 -.19131800E-04
 -1472.7700     0.00000000     -.31652000E-02 0.25690000E-05
   2
   2   3   2
  25104.000     -11.427300     0.00000000     0.00000000    
 0.00000000     -1.2041600     0.00000000     0.00000000    
   3
   1   2   3   3
 -16736.000      12.552000     0.00000000     0.00000000    
 -16736.000      12.552000     0.00000000     0.00000000    
 -16736.000      12.552000     0.00000000     0.00000000    
   0
 SIGMA:30                
 SUBL 
 Co:Cr:Co             
  1 1 .8667 .1333   0.0
  2000.0000      11293.367     -5.0583333     0.00000000     0.00000000    
 Co:Cr:Cr            
  1 1 .3333 .6667   0.0
  2000.0000     -207.30000     -6.8573333     0.00000000     0.00000000    
 Co:Cr:Fe         
  1 1 .3333 .1333 .5334
  2000.0000      2998.5333     0.00000000     0.00000000     0.00000000    
 Fe:Cr:Co
  1 1 .5334 .1333 .3333
  2000.0000     -5112.1667     0.00000000     0.00000000     0.00000000    
 Fe:Cr:Cr            
  1 1   0.0 .6667 .3333
  2000.0000      4841.3333     -5.3766667     0.00000000     0.00000000    
 Fe:Cr:Fe             
  1 1   0.0 .1333 .8667
  2000.0000      4040.6667     -1.9005667     0.00000000     0.00000000    
   3
 0.333333     0.133333     0.533334    
   2   1   3
 Co                       Fe                      
 Cr                      
 Co                       Cr                       Fe                      
   1   1   1   2   2   2
   1   1   1   1   1   1
   1   2   3   1   2   3
   0
 SIGMA:30                
 SUBL 
 Co:Cr:Co             
  1 1 .8667 .1333   0.0
  2000.0000      11293.367     -5.0583333     0.00000000     0.00000000    
 Co:Cr:Cr            
  1 1 .3333 .6667   0.0
  2000.0000     -207.30000     -6.8573333     0.00000000     0.00000000    
 Co:Cr:Fe         
  1 1 .3333 .1333 .5334
  2000.0000      2998.5333     0.00000000     0.00000000     0.00000000    
 Fe:Cr:Co
  1 1 .5334 .1333 .3333
  2000.0000     -5112.1667     0.00000000     0.00000000     0.00000000    
 Fe:Cr:Cr            
  1 1   0.0 .6667 .3333
  2000.0000      4841.3333     -5.3766667     0.00000000     0.00000000    
 Fe:Cr:Fe             
  1 1   0.0 .1333 .8667
  2000.0000      4040.6667     -1.9005667     0.00000000     0.00000000    
   3
 0.333333     0.133333     0.533334    
   2   1   3
 Co                       Fe                      
 Cr                      
 Co                       Cr                       Fe                      
   1   1   1   2   2   2
   1   1   1   1   1   1
   1   2   3   1   2   3
   0
 ###########################################################################
 
 Date           : July 1999
 Originator     : KH
 Serial No      : SUBL-EX.DAT
 Quality Status : B
 ChemSage Vers. : 4.0
 
 Temperatures   : 900 - 1200 K
 Compositions   : Iron rich or chromium rich
 Applications   : SIGMA-BCC equilibria
 
                  This file serves as an example of input for
                  substitutional solutions (BCC) described with the
                  RKMP model and a multi-sublattice phase (SIGMA) with
                  three sublattices and 30 atoms to the unit cell.
 
                  It also serves as a data-file for examples on how to
                  get compositional data for sublattice constituents
                  or overall mole fractions in case of a multi-
                  sublattice phase when using ChemApp.

                  Note the scaling of the SIGMA phase (division of stoichio-
                  metries and Gibbs energy coefficients by 30) to obtain
                  equal size of all phases.
 
                  See also the ChemSage and ChemApp handbooks.
  
                  NOTE the change of the compound names in the SIGMA phase
                  according to the SGTE notation for sublattice phases.

                  Old name                 New name
                  (Co26Cr4):30             Co:Cr:Co
                  (Co10Cr20):30            Co:Cr:Cr
                  (Co10Cr4Fe16):30         Co:Cr:Fe
                  (Co16Cr4Fe10):30         Fe:Cr:Co
                  (Cr20Fe10):30            Fe:Cr:Cr
                  (Cr4Fe26):30             Fe:Cr:Fe
                  
                  
 Sources of data:
 
 Unary          : 81Zha
 Binary         : 81Zha
 
 References     : 81Zha Zhangpeng, J.; Jansson, B.: TRITA-MAC-0189, RIT,
                        Stockholm, May 1981
 
 ###########################################################################


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