FactSage SGnucl SGTE nuclear database

List of systems and phases

 

 

The following tables summarise the contents of the FactSage SGnucl SGTE nuclear database in terms of the systems and phases it includes. The listings assist in phase selection for particular calculations by providing

 

-          A LIST OF all the unary, binary AND ternary SYSTEMS WHICH HAVE BEEN ASSESSED

 

-          A LIST OF ALL ASSESSED phases IN EACH OF THE SYSTEMS

 

-          ASSiSTANCE WITH PHASE SELECTION

 

Phase diagrams have been calculated for all the binary systems using the assessed parameters contained in the database. The diagram for a particular binary system can be viewed by clicking on the system as listed in Table 2 below. The diagrams contain the names of the stable phases in each system and thus provide guidance in phase selection for calculations in higher-order systems.

 

The phases listed for the binary and higher order systems may be solution phases or stoichiometric intermetallic compound phases (ST). 

 

Use of the FactSage module VIEW DATA with NUCL compound and solution databases allows inspection of a phase listing for a defined combination of elements.

 

When searching for a particular system in the present four lists, use alphabetical order of the elements.

 


 

Table 1:  List of phases for UNARY systems

 

 

Ar

GAS

 

Cr

GAS                     LIQUID                  BCC_A2

 

Fe

GAS                     LIQUID                  BCC_A2                FCC_A1

 

H

GAS

 

Ni

GAS                     LIQUID                  FCC_A1

 

O

GAS

 

U

LIQUID                  BCC_A2                TETRAGONAL_U                               ORTHORHOMBIC_A20

 

Zr

GAS                     LIQUID                  BCC_A2                HCP_A3

 


 

Table 2:  List of phases for BINARY systems

 

Complete assessments are available for the systems listed below.

Click on the system name to view the stable phase diagram calculated with the stored parameters.

 

Phases accompanied by ST in parenthesis indicate a stoichiometric phase. These phases must be selected from the SGnucl compound base.

 

(I-option) – the phase displays a miscibility gap and must be selected with the I-option.

 

 

Cr-Fe

LIQUID                  BCC_A2(I-option)  FCC_A1                SIGMA

 

Cr-Ni

LIQUID                  BCC_A2                FCC_A1

 

Cr-O

GAS                     LIQUID(I-option)    BCC_A2                Cr3O4(ST)             Cr2O3(ST)

 

Cr-U

LIQUID                  BCC_A2(I-option)                              TETMETAL            U(S)

 

Cr-Zr

LIQUID                  BCC_A2(I-option)                              HCP_A3                LAVES

 

Fe-Ni

LIQUID                  BCC_A2                FCC_A1

 

Fe-O

GAS                     LIQUID(I-option)    FCC_A1(ST)          BCC_A2                FCC_B1

Fe3O4(ST)             Fe2O3(ST)

 

Fe-U

LIQUID                  BCC_A2                FCC_A1                TETMETAL            ORTA20                FeU6(ST)

LAVES

 

Fe-Zr

LIQUID                  FCC_A1                BCC_A2                HCP_A3                LAVES                  FeZr3(ST)

FeZr2(ST)              Fe3Zr(ST)

 

Ni-O

GAS                     LIQUID                  Ni(S)                     NiO(ST)

 

Ni-U

LIQUID                  FCC_A1                BCC_A2                U(S)                      U(S2)                    Ni5U(ST)

Ni7U2(ST)              Ni10U3(ST)            Ni2U(ST)               Ni7U5(ST)              Ni9U7(ST)              NiU6(ST)

 

Ni-Zr

LIQUID                  FCC_A1                BCC_A2                HCP_A3                Ni5Zr(ST)               Ni7Zr2(ST)

Ni3Zr(ST)               Ni21Zr18(ST)          Ni4Zr3(ST)             Ni11Zr9(ST)            NiZr(ST)                 NiZr2(ST)

 

O-U

GAS                     LIQUID(I-option)    U(S)                      U(S2)                    U(S3)                    FCC_C1

O3U(ST)                O8U3(ST)              O9U4(ST)

 

O-Zr

GAS                     LIQUID                  BCC_A2                HCP_A3                FCC_C1

ZrO2_tetoxide(ST)                               ZrO2_monoclinic(ST)

 

U-Zr

LIQUID                  BCC_A2(I-option)  HCP_A3                TETMETAL            ORTA20                DELTA


 

Table 3:  List of phases for TERNARY systems

 

Assessed parameters are available for the phases listed below. Thermodynamic values for other ternary phases are obtained from the relevant binaries by application of the particular model used in the database.  

Phases accompanied by ST in parenthesis indicate a stoichiometric phase. The phase must be selected from the SGnucl compound base.

(I-option) – the phase displays a miscibility gap and must be selected with the I-option.

 

Comments in red for each system provide a rough guideline with respect to composition ranges covered by the assessed data and hence to which calculations should be restricted. Beware - if some ternary phases are unknown, or have not been included in the published assessments from which the present data have been selected, incorrect phase equilibria may be calculated.

 

 

Cr-Fe-Ni

GAS                     LIQUID                  FCC_A1                BCC_A2(I-option)  SIGMA                 

The data cover the complete ternary composition region

 

Cr-Fe-O

GAS                     LIQUID                  FCC_A1                BCC_A2(I-option)  SIGMA                  FCC_B1

RHO                     SPINEL                 Cr3O4(ST)             Cr2O3(ST)             Fe3O4(ST)             Fe2O3(ST)

The data cover the complete ternary composition region

 

Cr-Fe-Zr

GAS                     LIQUID                  FCC_A1                BCC_A2(I-option)  HCP_A3                LAVES

SIGMA                  FeZr3(ST)              FeZr2(ST)              Fe3Zr(ST)

The data cover the complete ternary composition region

 

Cr-Ni-O

GAS                     LIQUID                  FCC_A1                BCC_A2                FCC_B1                SPINEL

Cr3O4(ST)             Cr2O3(ST)             NiO(ST)

 

Fe-Ni-O

GAS                     LIQUID                  FCC_A1                BCC_A2                FCC_B1                SPINEL

Fe3O4(ST)             Fe2O3(ST)             NiO(ST)

 

Fe-O-U

GAS                     LIQUID(I-option)    FCC_A1                BCC_A2                FCC_B1

Fe3O4(ST)             Fe2O3(ST)             TETMETAL            ORTA20                FeU6(ST)

LAVES                  FCC_C1                O3U(ST)                O8U3(ST)              O9U4(ST)

FeO4U(ST)

The data cover the complete ternary composition region

 

Fe-O-Zr

GAS                     LIQUID(I-option)    FCC_A1                BCC_A2                FCC_B1

Fe3O4(ST)             Fe2O3(ST)             HCP_A3                LAVES                  FeZr3(ST)

FeZr2(ST)              Fe3Zr(ST)              FCC_C1                ZrO2_tetoxide(ST) 

ZrO2_monoclinic(ST)

The data cover the complete ternary composition region

 

Fe-U-Zr

LIQUID                  BCC_A2(I-option)  FCC_A1                HCP_A3                TETMETAL            ORTA20

FeU6(ST)               LAVES                  FeZr3(ST)              FeZr2(ST)              Fe3Zr(ST)              DELTA

Fe4U3Zr5(ST)        Fe11U4Zr7(ST)       Fe6U71Zr23(ST)

The data cover the complete ternary composition region

 

O-U-Zr

GAS                     LIQUID(I-option)    BCC_A2(I-option)  TETMETAL            ORTA20                HCP_A3

FCC_C1                O3U(ST)                O8U3(ST)              O9U4(ST)              TETOXIDE

ZrO2_monoclinic(ST)                           DELTA

The data cover the complete ternary composition region