The SGTE SGnucl nuclear
database
TO OBTAIN :
- 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
-
A
CALCULATED PHASE DIAGRAM FOR EACH OF THE LISTED BINARY SYSTEMS
-
ASSiSTANCE
WITH PHASE SELECTION
The SGnucl database has been generated by Thermodata,
The SGnucl database should not be used in
conjunction with any other FactSage database. SGnucl is a self-consistently evaluated database designed
to be used independently of any other.
Please note that a separate database information document prepared by Thermodata is also supplied with
this database (Click on “Additional documentation
from SGTE.”) In addition, an extended version of the text
is available upon request. The longer version includes binary and ternary phase
diagrams in which comparison is made of experimentally determined values with
data calculated using the assessed parameters contained in the database. A full
list of references is also included.
The elements
included in the database are
Also included are systems formed among the 6 oxides
UO2 - ZrO2 - FeO - Fe2O3 -
Cr2O3 - NiO
The database
covers the entire composition range from pure metal to oxide regions and
contains critically evaluated thermodynamic parameters for all relevant multicomponent condensed or gaseous substances and solution
phases.
Gaseous species stored in
SGnucl54BASE.CDB
Ar
Cr CrO CrO2
CrO3 Cr2
Fe FeH2O2
FeO Fe2 H
HNi HO
HZr H2
H2NiO2
HO2 H2O
H2O2 Ni
NiO O
OU OZr O2
O2U O2Zr
O3 O3U
U Zr Zr2
(solid phase unless indicated L for liquid)
Cr CrO2
CrO3
Cr2O3
Cr3O4
Cr5O12 Cr8O21
Fe Fe2O3 Fe3O4 FeHO2
FeH2O2 FeH3O3
FeO4U FeU6
FeZr2 FeZr3
Fe2H2O4 Fe3Zr Fe4Zr1
Fe4U3Zr5 Fe6U71Zr23
Fe11U4Zr7 H2O(L)
H2O2(L) H2O4U
H2Zr H3U
H4O5U
Ni NiO Ni3O4 Ni11Zr9
NiU6
NiZr NiZr2 Ni21Zr8
Ni2U Ni3Zr
Ni575Zr425 Ni5U
Ni5Zr Ni769U231
Ni778U222 Ni7U5
Ni7Zr2 Ni9U7
O O2U O2Zr O3U O8U3 O9U4
U
Zr
Phase LIQUID, Model RKMP:
Constituents:
Cr, (Cr2O3):2, Fe, FeO, (Fe2O3):2,
Ni, NiO, O, O2U, O2Zr, U, Zr
Phase FCC_C1, Model RKMP:
Constituents:
O, O2U, O2Zr, U, Zr
Phase TETOXIDE, Model RKMP:
Constituents:
O2U, O2Zr
Phase BCC_A2, Model SUBL:
Sublattice structure: <O, Va>3.000 <Cr,
Fe, Ni, U, Zr>1.000
Constituents:
O3Cr, O3Fe, O3Ni, O3U, O3Zr
Va3Cr, Va3Fe, Va 3Ni, Va3U, Va3Zr
Phase FCC_A1, Model RKMP:
Constituents:
Cr, Fe, Ni, U, Zr
Phase HCP_A3, Model SUBL:
Sublattice structure: <O, Va>1.000 <Cr, Fe, Ni, U, Zr>2.000
Constituents:
OCr2, OFe2,
ONi2, OU2, OZr2
VaCr2, VaFe2,
VaNi2, VaU2, VaZr2
Phase LAVES, Model SUBL:
Sublattice structure: <Cr, Fe, Zr>2.000 <Fe, U, Zr>1.000
Constituents:
Cr2Fe, Cr2U, Cr2Zr
Fe2Fe, Fe2U, Fe2Zr
Zr2Fe, Zr2U, Zr2Zr
Phase FCC_B1, Model RKMP:
Constituents:
(Cr2O3):2, FeO, (Fe2O3):2, NiO
Phase RHO, Model RKMP:
Constituents:
(Cr2O3):2, (Fe2O3):2
Phase SPINEL, Model RKMP:
Constituents:
Cr3O4, Cr2FeO4, Cr2NiO4
Fe2NiO4, Fe3O4, Ni3O4
Phase SIGMA, Model SUBL:
Sublattice structure: <Fe, Ni>8.000
<Cr>4.000 <Cr, Fe, Ni>18.000
Constituents:
Fe8Cr4Cr18, Fe8Cr4Fe18, Fe8Cr4Ni18
Ni8Cr4Cr18, Ni8Cr4Fe18, Ni8Cr4Ni18
Phase TETMETAL, Model RKMP:
Constituents:
Cr, Fe, U, Zr
Phase ORTA20, Model RKMP:
Constituents:
Fe, U, Zr
Phase DELTA, Model SUBL:
Sublattice structure: <Zr>1.000 <U, Zr>2.000
Constituents:
Zr1U2, Zr1Zr2
Binary
metal-based systems which have been assessed
Cr-Fe
Cr-Ni Cr-O Cr-U Cr-Zr
Fe-Ni Fe-O Fe-U Fe-Zr
Ni-O Ni-U Ni-Zr O-U
O-Zr U-Zr
Cr2O3-FeO Cr2O3-Fe2O3
Cr2O3-NiO Cr2O3-O2U
Cr2O3-O2Zr FeO-Fe2O3
FeO-NiO
FeO-O2U FeO-O2Zr
Fe2O3-NiO Fe2O3-O2U
Fe2O3-O2Zr NiO-O2U
NiO-O2Zr O2U-O2Zr
Cr-Fe-Ni
Cr-Fe-O Cr-Fe-Zr
Cr-Ni-O Fe-Ni-O
Fe-O-U Fe-O-Zr
Fe-U-Zr O-U-Zr
General comments
Comparative calculations have been made for all the assessed binary and
ternary systems contained in the database, with the purpose of checking the
agreement with the experimentally observed properties for each system. It
should nevertheless be borne in mind that the amount of published information
varies significantly both in quantity and quality from system to system so
that, while every effort has been made to provide the best data possible, there
is still a degree of uncertainty associated with calculated results. In
particular, due to an absence of experimental data for the systems Cr2O3-UO2,
Cr2O3-ZrO2, Fe2O3-ZrO2,
NiO-UO2 and NiO-ZrO2, it was necessary to use
estimation techniques to obtain required values. Consequently, particular
care should be excercised in interpreting calculated
results when these oxide combinations are involved.
In a binary system, if no assessed
mixing parameters are available for a particular phase, the phase will be
treated as ideal. Correspondingly, the properties of a ternary or higher-order
phase will be calculated applying the appropriate models used in the database. This
procedure may give useable results if the alloy compositions in question are
close to a pure component or to a binary edge for which assessed data are
available. However, results of calculations for other composition ranges should
be treated with extreme caution.