An elementary Calphad approach as a support for the kinetics of mechanochemical reactions in the Fe-C system
An elementary Calphad approach as a support for the kinetics of mechanochemical reactions in the Fe-C system?
?Fabio MIANI a, Francesco DELOGU b, Hans?FECHT, c Rada NOVAKOVIC d, Francesca MAURIGH e
This work proposes to use Mechanochemistry for exploring the properties of Iron Carbides
The properties (crystal structure, thermodynamic data) of Iron Carbides are necessary to build reliable multicomponent Calphad databases for steel. These data are not available in a unique manner nowadays, and different scientific communities tend to present "their solutions". It seems that some valuable results have been obtained by scientists working in Catalysis ( precisely the Fischer Tropsch community)
Main results which have been obtained up to date for Calphad/Metallurgy use are based on Ab-Initio Calculations, which rely on complex and sophisticated grounds which are difficult indeed to understand for most of engineers
(after https://materials.duke.edu/aflow.html)
Mossbauer Spectroscopy is a niche characterization technique which could solve the difficult task of characterizing iron carbides (after htps://www.nature.com/articles/srep26184 )
We propose a simple procedure using Mossbauer spectroscopy to improve the current not completely solved situation.
The approach stresses the importance of evaluating chiefly one Mossbauer parameter - the Mossbauer Hyperfine field - which could be extracted from collected data by analizing an hyperfine field distribution compatible with measured data.
Abstract
Extensive work on the kinetics of mechanochemical synthesis in Fe-C system have been performed over the years, trying to understand which physical mechanisms and paths yield?different metastable iron carbides. In this communication a Calphad file which includes most the known iron carbides, is altered with a simple energy term which is inversely proportional to the average observed grain size due to the milling action. Further, a common value is added to GHSER term just for Fe BCC phase and graphite.??While this oversimplification proves to be useful in providing preliminary results, it is clear that to assess its effective usefulness some optimization of phase analysis it is necessary to analyze results collected over the year with some modification of current Calphad database optimization, and possibly, designing some?controlled isochronal annealing experiments at short (say 1 hour) times. In fact, provided simple grain growth models, the approach could be exploited in the future in order to assess more precisely thermodynamic stability of iron carbides in the range 150 °C – 450 °C which is important in ferrous metallurgy for tempering of martensite and in some important catalysis processes such as Fisher Tropsch synthesis. This could help to face some unresolved issues up to the current year 2022 on the structure of metastable iron carbides, which have proved to be?difficult – and as for some of them as for today impossible – to synthesize in their pure stoichiometric form.??
Can we improve our current view of the Iron-Carbon Phase Diagram?
To most of materials scientists nowadays, it would appear very unlikely that the Fe-C phase diagram should be improved.
There are however some points to be clarified, which could prove useful in designing radically new steels.
Nowadays in fact it is well accepted that the development of new alloys, including of course steels, may be carried out by a combination of software and experiments.
The broad field of Computational Thermodynamics has a more narrow and specific discipline related to Calphad, a discipline which has been introduced by Larry Kaufman; nowadays there is an active scienfitic community developing Calphad metodology and a wider community which is?using Calphad software, both in academia and in the industry. Most of commercial or open software are able to use a specific standard code for thermodynamic databases, which have a common structure and typically a common extension. A discussion on available thermodynamic databases is presented in a recent paper by Axel van deer Walle which, along with his scientific group has made a site available for searching such thermodynamic databases.
"In designing this system, we wanted to ensure that copyrights or the terms of service of the data sources were respected. For these reasons, the TDBDB website does not actually provide the content of the TDB files or the papers. It acts as a search engine and yield links to the requested resource. It is up to the users to ensure they have the credential to access the data. For data hosted in the NIMS database this simply involves creating an account on the NIMS site (which is free). For data or articles hosted in scientific journals, one needs an electronic subscription to the journal (which most researchers have via their respective institutions). As a result, the TDBDB service will most likely increase the visibility and access statistics of the data providers rather than reduce them."
?Thermodynamic DataBase DataBase
Elements :
??Search?Help?About TDBDB (what is it?)
?C,Fe,Mn Djurovic et al. (2011)?[doi]?[tdb file]?[crossref]
?C,Fe Naraghi, Selleby and ?gren (2014)?[doi]?[tdb file]?[crossref]
?Al,B,Ce,C,Cu,Fe,Hf,Li,Mg,Mn,N,Nd,Ni,O,Si,Sn,Ta,Ti,V,Y,Zn,Zr Qiu et al. (2015)?[doi]?[tdb file]?[crossref]
?C,Fe G?hring, Leineweber and Mittemeijer (2016)?[doi]?[tdb file]?[crossref]
?Al,C,Fe,Mn,N,Nb,Si,Ti,V Hallstedt et al. (2017)?[doi]?[tdb file]?[crossref]
?Al,C,Fe Zheng et al. (2017)?[doi]?[tdb file]?[crossref]
?C,Co,Cr,Fe,Hf,Nb,Ni,Ta,Ti,W,Zr Berthod and Himeur (2018)?[doi]?[tdb file]?[crossref]
?C,Cu,Fe Chen et al. (2019)?[doi]?[tdb file]?[crossref]
?C,Co,Cr,Fe,Hf,Nb,Ni,Ta,Ti,W,Zr Berthod and Khair (2019)?[doi]?[tdb file]?[crossref]
?C,Fe Gabriel, Gustafson and Ansara (1987)?[doi]?[tdb file]?[crossref]
?C,Fe,Mn Nakano and Jacques (2010)?[doi]?[tdb file]?[crossref]
?Al,C,Co,Cr,Fe,Hf,Mo,Nb,Ni,Re,Ta,Ti,W Campbell, Boettinger and Kattner (2002) (kinetic)?[doi]?[tdb file]?[crossref]
?C,Co,Cr,Cu,Fe,H,Hf,La,Mn,Mo,N,Nb,Ni,O,P,Pd,S,Si,Ti,V,W,Y,Fe Povoden-Karadeniz (2016)?[url]?[tdb file]?[cite]
?C,Co,Cr,Cu,Fe,Hf,La,Mn,Mo,N,Nb,Ni,O,S,Si,Ti,V,W,Y,Zr,Ni Povoden-Karadeniz (2015)?[url]?[tdb file]?[cite]
?Al,Ar,B,C,Ce,Cr,Cu,Fe,Hf,Li,Mg,Mn,Mo,N,O,Nb,Nd,Ni,Si,Sn,Ta,Ti,V,W,Y,Zn,Zr Ansara, Dinsdale and Rand (1998)?[url]?[tdb file]?[cite]
Along with a experimental preview which is using Open Calphad. The scientific Calphad community has agreed to use a standard representation ot the Thermodynamic properties of the elements, which is base on a paper by Dinsdale and is available at SGTE https://www.sgte.net/en/free-pure-substance-database
Databases
?????SGTE Pure Element Database
?SGTE Pure Element Database (UNARY)
The?UNARY?database contains assessed thermochemical data for all stable and many metastable modifications from 298.15 K up to the gaseous state for the following elements:
Ag, Al, Am, As, Au, B, Ba, Be, Bi, Br, C, Ca, Cd, Ce, Cl, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, I, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr
These descriptions of the pure elements are used in all the?SGTE?databases. This database can only be used for extracting data for assessment work or to tabulate or plot data for the pure elements. Contact person:
Alan Dinsdale,?[email protected]
Reference:
Free download
?Using this database and any Calphad software, it is possible to simply select elements and build “ideal” phase diagrams which do not consider any interaction between the elements, in a way just a random mechanical mixing ot the atoms. There are no solution effects and no intermetallic compounds, but even in this elementary landscaper, there are features in common with the "standard" FeC phase diagram
Element?????????/-??????????ELECTRON_GAS?????????0?????????0?????????0 !
Element??????????C??????????????GRAPHITE????12.011??????1054????5.7423 !
Element?????????Fe???????????????????Bcc????55.847??????4489?????27.28 !
Element?????????Va????????????????VACUUM?????????0?????????0?????????0 !
Function GHSERC 298.15???-17368.441+170.73*T-24.3*T*ln(T)-4.723e-04*T**2+2562600*T**(-1)-2.643e+08*T**(-2)+1.2e+10*T**(-3); 6000 N !
Function GDIAMONDC 298.15???-16359.441+175.61*T-24.31*T*ln(T)-0.0004723*T**2+2698000*T**(-1)-261000000*T**(-2)+1.11e+010*T**(-3); 6000 N !
Function GLIQC 298.15???+100000.559+146.1*T-24.3*T*ln(T)-0.0004723*T**2+2562600*T**(-1)-264300000*T**(-2)+1.2e+010*T**(-3); 6000 N !
Function GHSERFE 298.15???+1225.7+124.134*T-23.5143*T*ln(T) -.00439752*T**2-5.89269e-08*T**3+77359*T**(-1); 1811 Y
????-25383.581+299.31255*T-46*T*ln(T)+2.2960305e+31*T**(-9); 6000 N !
Function GCBCCFE 298.15???+4745+GHSERFE; 6000 N !
Function GCUBFE 298.15???+3745+GHSERFE; 6000 N !
Function GFCCFE 298.15???-1462.4+8.282*T-1.15*T*ln(T)+6.4e-04*T**2+GHSERFE; 1811 Y
????-27097.396+300.25256*T-46*T*ln(T)+2.78854e+31*T**(-9); 6000 N !
Function GHCPFE 298.15???-3705.78+12.591*T-1.15*T*ln(T)+6.4e-04*T**2+GHSERFE; 1811 Y
????-0.904541-3957.199+5.24951*T+4.925095e+30*T**(-9)+GHSERFE; 6000 N !
Function GLIQFE 298.15???0.020289+12040.17-6.55843*T-3.6751551e-021*T**7+GHSERFE; 1811 Y
????+14544.751-8.01055*T-2.2960305e+31*T**(-9)+GHSERFE; 6000 N !
Function GORTHORHOMBICFE 298.15???+5000+GHSERFE; 6000 N !
Function GTETRAGONALFE 298.15???+5000+GHSERFE; 6000 N !
Type_Definition & GES AMEND_PHASE_DESCRIPTION CBCC_A12 MAGNETIC -3 0.28 !
Type_Definition ' GES AMEND_PHASE_DESCRIPTION Fcc MAGNETIC -3 0.28 !
Type_Definition ( GES AMEND_PHASE_DESCRIPTION Bcc MAGNETIC -1 0.4 !
Type_Definition ) GES AMEND_PHASE_DESCRIPTION Hcp MAGNETIC -3 0.28 !
Phase Liquid % 1 1 !
Constituent Liquid :C,Fe:!
????Parameter G(Liquid,C;0) 298.15??GLIQC; 6000 N !
????Parameter G(Liquid,Fe;0) 298.15??GLIQFE; 6000 N !
Phase Bcc %( 2 1 3 !
Constituent Bcc :Fe:Va:!
????Parameter G(Bcc,Fe:Va;0) 298.15??GHSERFE; 6000 N !
????Parameter BMAGN(Bcc,Fe:Va;0) 298.15??2.22; 6000 N !
????Parameter Tc(Bcc,Fe:Va;0) 298.15??1043; 6000 N !
Phase Fcc %' 2 1 1 !
Constituent Fcc :Fe:Va:!
????Parameter G(Fcc,Fe:Va;0) 298.15??GFCCFE; 6000 N !
????Parameter BMAGN(Fcc,Fe:Va;0) 298.15??-2.1; 6000 N !
????Parameter Tc(Fcc,Fe:Va;0) 298.15??-201; 6000 N !
Phase Hcp %) 2 1 0.5 !
Constituent Hcp :Fe:Va:!
????Parameter G(Hcp,Fe:Va;0) 298.15??GHCPFE; 6000 N !
Phase CBCC_A12 %& 2 1 1 !
Constituent CBCC_A12 :Fe:Va:!
????Parameter G(CBCC_A12,Fe:Va;0) 298.15??GCBCCFE; 6000 N !
Phase CUB_A13 % 2 1 1 !
Constituent CUB_A13 :Fe:Va:!
????Parameter G(CUB_A13,Fe:Va;0) 298.15??GCUBFE; 6000 N !
Phase DIAMOND_A4 % 1 1 !
Constituent DIAMOND_A4 :C:!
????Parameter G(DIAMOND_A4,C;0) 298.15??GDIAMONDC; 6000 N !
Phase GRAPHITE % 1 1 !
Constituent GRAPHITE :C:!
????Parameter G(GRAPHITE,C;0) 298.15??GHSERC; 6000 N !
Phase ORTHORHOMBIC_A20 % 1 1 !
Constituent ORTHORHOMBIC_A20 :Fe:!
????Parameter G(ORTHORHOMBIC_A20,Fe;0) 298.15??GORTHORHOMBICFE; 6000 N !
Phase TETRAGONAL_U % 1 1 !
Constituent TETRAGONAL_U :Fe:!
????Parameter G(TETRAGONAL_U,Fe;0) 298.15??GTETRAGONALFE; 6000 N !
Fe-C ideal phase diagram obtained?using SGTE database and a free version of a commercial software
Among several open thermodynamic BINARY Fe-C?databases, we have chosen to use two databases?the more simple available from the Japanese Materials Research Society
?where a wealth of open binary databases is available
and the one we believe is the more complete one reported in the Calphad Journal by Reza Naraghi et al. originally developed for his PhD work at KTH. The orginal thermodynamic database is available here.
$ Database file for Fe-C written 2014-2-20
$ by Reza Naraghi
ELEMENT /-???ELECTRON_GAS??????????????0.0000E+000.0000E+000.0000E+00!
ELEMENT VA???VACUUM????????????????????0.0000E+000.0000E+000.0000E+00!
ELEMENT C????GRAPHITE??????????????????1.2011E+011.0540E+035.7400E+00!
ELEMENT FE???BCC_A2????????????????????5.5847E+014.4890E+032.7280E+01!
$ ------------Fe---------------------------------------------------------------
FUNCTION TEMP??????0.01 +T**(-1); 6000 N !
FUNCTION RTEMP?????0.01 +R**(-1)*TEMP; 6000 N !
FUNCTION GEIN3091??0.01 +1-1*EXP(-309*TEMP); 6000 N !
FUNCTION GEIN3092??0.01 +1*LN(GEIN3091); 6000 N !
FUNCTION GEIN3093??0.01 +3*R*T*GEIN3092; 6000 N !
FUNCTION GEIN309???0.01 +463.5*R+GEIN3093; 6000 N !
FUNCTION GEIN2451??0.01 +1-1*EXP(-245*TEMP); 6000 N !
FUNCTION GEIN2452??0.01 +1*LN(GEIN2451); 6000 N !
FUNCTION GEIN2453??0.01 +3*R*T*GEIN2452; 6000 N !
FUNCTION GEIN245???0.01 +367.5*R+GEIN2453; 6000 N !
FUNCTION G2STFCC1??0.01 +9023.52375-2.4952226*T; 6000 N !
FUNCTION G2STFCC2??0.01 -G2STFCC1*RTEMP; 6000 N !
FUNCTION G2STFCC3??0.01 +1+1*EXP(G2STFCC2); 6000 N !
FUNCTION G2STFCC4??0.01 +1*LN(G2STFCC3); 6000 N !
FUNCTION G2STFCC???0.01 -R*T*G2STFCC4; 6000 N !
FUNCTION G2STLIQ1??0.01 +42754.9478-7.624*T-1.08230446*T*LN(T); 6000 N !
FUNCTION G2STLIQ2??0.01 -G2STLIQ1*RTEMP; 6000 N !
FUNCTION G2STLIQ3??0.01 +1+1*EXP(G2STLIQ2); 6000 N !
FUNCTION G2STLIQ4??0.01 +1*LN(G2STLIQ3); 6000 N !
FUNCTION G2STLIQ???0.01 -R*T*G2STLIQ4; 6000 N !
FUNCTION GGBCCL????0.01 -8410.26596-.0032390815*T**2-3.3191338E-14*T**5
?????+GEIN309; 6000 N !
FUNCTION GGBCCH????0.01 -33208.4173+165.40504*T-21.0474823*T*LN(T)
?????-2.781828E+18*T**(-5)+4.2811788E+37*T**(-11)+GEIN309; 6000 N !
FUNCTION GGFCCL????0.01 -2615.00904-.0027933375*T**2-2.1239087E-14*T**5
?????+GEIN309+G2STFCC; 6000 N !
FUNCTION GGFCCH????0.01 -32389.5438+168.31394*T-20.9834791*T*LN(T)
?????+9.2444598E+18*T**(-5)-1.4750509E+37*T**(-11)+GEIN309+G2STFCC; 6000 N?
!
FUNCTION GHSERFE???298 +GGBCCL+8927.2831-9.7228331*T; 1811 Y
??????+GGBCCH+8927.2831-9.7228331*T; 6000 N !
FUNCTION GFEFCC????298 +GGFCCL+249.14486-4.4119139*T; 1811 Y
??????+GGFCCH+249.14486-4.4119139*T; 6000 N !
$ ------------C----------------------------------------------------------------
FUNCTION GHSERCCD??0.01 -17368.441+170.73*T-24.3*T*LN(T)-4.723E-04*T**2
?????+2562600*T**(-1)-2.643E+08*T**(-2)+1.2E+10*T**(-3); 6000 N !
FUNCTION GDIACCD???0.01 -16359.441+175.61*T-24.31*T*LN(T)-4.723E-04*T**2
?????+2698000*T**(-1)-2.61E+08*T**(-2)+1.11E+10*T**(-3); 6000 N !
FUNCTION POLYNC????0.01 -28725-.001786*T**2-2.1662E-05*T**3
?????+3.0953E-11*T**5; 6000 N !
FUNCTION TEMC??????0.01 +2219.2; 6000 N !
FUNCTION TEMPC?????0.01 -TEMC*T**(-1); 6000 N !
FUNCTION GEINV1C???0.01 +1-1*EXP(TEMPC); 6000 N !
FUNCTION GEINV2C???0.01 +1*LN(GEINV1C); 6000 N !
FUNCTION GEINV3C???0.01 +3*R*T*GEINV2C; 6000 N !
FUNCTION GEINVC????0.01 +1.5*R*TEMC+GEINV3C; 6000 N !
FUNCTION POLYND????0.01 -18646+.001807*T**2-1.3059E-05*T**3
?????+1.975E-11*T**5; 6000 N !
FUNCTION TEMD??????0.01 +1604.56; 6000 N !
FUNCTION TEMPD?????0.01 -TEMD*T**(-1); 6000 N !
FUNCTION GEINV1D???0.01 +1-1*EXP(TEMPD); 6000 N !
FUNCTION GEINV2D???0.01 +1*LN(GEINV1D); 6000 N !
FUNCTION GEINV3D???0.01 +3*R*T*GEINV2D; 6000 N !
FUNCTION GEINVD????0.01 +1.5*R*TEMD+GEINV3D; 6000 N !
FUNCTION GHSERCC????0.01 +POLYNC+GEINVC; 298.15 Y
??????+GHSERCCD; 6000 N !
FUNCTION GDIACC?????0.01 +POLYND+GEINVD; 298.15 Y
??????+GDIACCD; 6000 N !
FUNCTION GCLIQ?????0.01 +117369-24.63*T+GHSERCC; 6000 N !
$------------Fe-C--------------------------------------------------------------
FUNCTION GFEC3?????0.01 +GHSERFE+3*GHSERCC+1.6250500E+05+1.8446500E+02*T;
6000 N !
FUNCTION LFECVA????0.01 +1.5000000E+05-2.9000000E+02*T; 6000 N !
FUNCTION GFEC1?????0.01 +.333333333*GHSERFE+.666666667*GFEC3
?????+.222222222*LFECVA; 6000 N !
FUNCTION GFEC2?????0.01 +.666666667*GHSERFE+.333333333*GFEC3
?????+.222222222*LFECVA; 6000 N !
FUNCTION OFEC??????0.01 +1.1465020E+06-2.9111050E+03*T; 6000 N !
FUNCTION OFEC2?????0.01 +2.8797000E+04-5.2983000E+01*T; 6000 N !
FUNCTION GFECEM??????0.01 +11369.9377-5.64125926*T-8.333E-06*T**4;??43 Y
??????+11622.6472-59.5377093*T+15.74232*T*LN(T)-.27565*T**2; 163 Y
??????-10195.8608+690.949888*T-118.47637*T*LN(T)-7E-04*T**2+590527*T**(-1);?
6000 N !
FUNCTION TCE???????0.01 +3.2091000E+02; 6000 N !
FUNCTION TEMPCE????0.01 -TCE*T**(-1); 6000 N !
FUNCTION GMEINV3C??0.01 +1-1*EXP(TEMPCE); 6000 N !
FUNCTION GMEINV2C??0.01 +1*LN(GMEINV3C); 6000 N !
FUNCTION GMEINV1C??0.01 +3*R*T*GMEINV2C; 6000 N !
FUNCTION GMEINVCE??0.01 +1.5*R*TCE+GMEINV1C; 6000 N !
FUNCTION GEINVCE???0.01 +4*GMEINVCE; 6000 N !
FUNCTION GMPOLYCE??0.01 -1.9000000E+03-2.8080000E-03*T**2;?
6000 N !
FUNCTION GPOLYCE???0.01 +4*GMPOLYCE; 6000 N !
FUNCTION PCE???????0.01 +.25; 6000 N !
FUNCTION TCCE??????0.01 +485; 6000 N !
FUNCTION DCE???????0.01 +.33471979+.49649686*PCE**(-1)-.49649686;
6000 N?
!
FUNCTION PDCE??????0.01 +PCE*DCE; 6000 N !
FUNCTION GMDOIN5C??0.01 +TCCE*PDCE**(-1); 6000 N !
FUNCTION GMDOIN4C??0.01 +T-.38438376*GMDOIN5C; 6000 N !
FUNCTION GMDOIN3C??0.01 +1+2.4400000E+00; 6000 N !
FUNCTION GMDOIN2C??0.01 +1*LN(GMDOIN3C); 6000 N !
FUNCTION GMDOIN1C??0.01 +GMDOIN2C*GMDOIN4C; 6000 N !
FUNCTION GMDOINCE??0.01 -R*GMDOIN1C; 6000 N !
FUNCTION GEINVHA???0.01 +1.66666667*GEINVCE; 6000 N !
FUNCTION GPOLYHA???0.01 +1.66666667*GPOLYCE; 6000 N !
FUNCTION PHA???????0.01 +.25; 6000 N !
FUNCTION TCHA??????0.01 +520; 6000 N !
FUNCTION BMHA??????0.01 -1+1*EXP(1.66666666*GMDOIN2C); 6000 N !
FUNCTION DHA???????0.01 +.33471979+.49649686*PHA**(-1)-.49649686; 6000 N?
!
FUNCTION PDHA??????0.01 +PHA*DHA; 6000 N !
FUNCTION GMDOIN5H??0.01 +TCHA*PDHA**(-1); 6000 N !
FUNCTION GMDOIN4H??0.01 +T-.38438376*GMDOIN5H; 6000 N !
FUNCTION GMDOIN3H??0.01 +1+BMHA; 6000 N !
FUNCTION GMDOIN2H??0.01 +1*LN(GMDOIN3H); 6000 N !
FUNCTION GMDOIN1H??0.01 +GMDOIN2H*GMDOIN4H; 6000 N !
FUNCTION GMDOINHA??0.01 -R*GMDOIN1H; 6000 N !
FUNCTION GEINVET???0.01 +.66666666*GEINVCE; 6000 N !
FUNCTION GPOLYET???0.01 +.66666666*GPOLYCE; 6000 N !
FUNCTION PET???????0.01 +.25; 6000 N !
FUNCTION TCET??????0.01 +663; 6000 N !
FUNCTION BMET??????0.01 -1+1*EXP(.66666666*GMDOIN2C); 6000 N !
FUNCTION DET???????0.01 +.33471979+.49649686/PET-.49649686; 6000 N???!
FUNCTION PDET??????0.01 +PET*DET; 6000 N !
FUNCTION GMDOIN5E??0.01 +TCET/PDET; 6000 N !
FUNCTION GMDOIN4E??0.01 +T-.38438376*GMDOIN5E; 6000 N !
FUNCTION GMDOIN3E??0.01 +1+BMET; 6000 N !
FUNCTION GMDOIN2E??0.01 +1*LN(GMDOIN3E); 6000 N !
FUNCTION GMDOIN1E??0.01 +GMDOIN2E*GMDOIN4E; 6000 N !
FUNCTION GMDOINET??0.01 -R*GMDOIN1E; 6000 N !
$------------------------------------------------------------------------------
?TYPE_DEFINITION % SEQ *!
?DEFINE_SYSTEM_DEFAULT ELEMENT2!
?DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- !
?TYPE_DEFINITION & GES A_P_D BCC_A2 MAGNETIC??-1.00.37!
PHASE BCC_A2??%&??213!
CONSTITUENT BCC_A2??:FE : C,VA :??!
PARAMETERG(BCC_A2,FE:C;0)?????????????0.01 +GFEC3; 6000 N REF0 !
PARAMETERTC(BCC_A2,FE:C;0)????????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCC_A2,FE:C;0)?????????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCC_A2,FE:VA;0)????????????0.01 +GHSERFE; 6000 N REF0 !
PARAMETERTC(BCC_A2,FE:VA;0)???????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCC_A2,FE:VA;0)????????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCC_A2,FE:C,VA;0)??????????0.01 +LFECVA; 6000 N REF0 !
$??Fabio PARAMETER V0(BCC_A2,FE:C,VA;0)?????????0.01 +2.5E-06; 6000 N REF0 !
$--Zener-ordered-bct------------------------------------------
?TYPE_DEFINITION ' GES A_P_D BCT_Z1 MAGNETIC??-1.00.37!
PHASE BCT_Z1??%'??3112!
CONSTITUENT BCT_Z1??:FE : C,VA : C,VA :??!
PARAMETERG(BCT_Z1,FE:C:C;0)???????????0.01 +GFEC3; 6000 N REF0 !
PARAMETERTC(BCT_Z1,FE:C:C;0)??????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z1,FE:C:C;0)???????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z1,FE:VA:C;0)??????????0.01 +GFEC1-OFEC; 6000 N REF0 !
PARAMETERTC(BCT_Z1,FE:VA:C;0)?????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z1,FE:VA:C;0)??????0.01 +2.22; 6000 N REF0 !
领英推荐
PARAMETERG(BCT_Z1,FE:C:VA;0)??????????0.01 +GFEC2-OFEC; 6000 N REF0 !
PARAMETERTC(BCT_Z1,FE:C:VA;0)?????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z1,FE:C:VA;0)??????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z1,FE:VA:VA;0)?????????0.01 +GHSERFE; 6000 N REF0 !
PARAMETERTC(BCT_Z1,FE:VA:VA;0)????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z1,FE:VA:VA;0)?????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z1,FE:C,VA:*;0)????????0.01 +.1111111*LFECVA+OFEC;?
6000 N REF0 !
PARAMETERG(BCT_Z1,FE:*:C,VA;0)????????0.01 +.4444444*LFECVA+OFEC;?
6000 N REF0 !
$--a''-ordered-bct------------------------------------------
?TYPE_DEFINITION ( GES A_P_D BCT_Z2 MAGNETIC??-1.00.37!
PHASE BCT_Z2??%(??31.1252.875!
CONSTITUENT BCT_Z2??:FE : C,VA : C,VA :??!
PARAMETERG(BCT_Z2,FE:C:C;0)???????????0.01 +GFEC3; 6000 N REF0 !
PARAMETERTC(BCT_Z2,FE:C:C;0)??????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z2,FE:C:C;0)???????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z2,FE:VA:C;0)??????????0.01 +.958333333*GFEC3
??+.0416666667*GHSERFE+.0399305556*LFECVA-OFEC2; 6000 N REF0 !
PARAMETERTC(BCT_Z2,FE:VA:C;0)?????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z2,FE:VA:C;0)??????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z2,FE:C:VA;0)??????????0.01 +.0416666667*GFEC3
??+.958333333*GHSERFE+.0399305556*LFECVA-OFEC2; 6000 N REF0 !
PARAMETERTC(BCT_Z2,FE:C:VA;0)?????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z2,FE:C:VA;0)??????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z2,FE:VA:VA;0)?????????0.01 +GHSERFE; 6000 N REF0 !
PARAMETERTC(BCT_Z2,FE:VA:VA;0)????????0.01 +1043; 6000 N REF0 !
PARAMETERBMAGN(BCT_Z2,FE:VA:VA;0)?????0.01 +2.22; 6000 N REF0 !
PARAMETERG(BCT_Z2,FE:C,VA:*;0)????????0.01 +.00173611111*LFECVA
??+OFEC2; 6000 N REF0 !
PARAMETERG(BCT_Z2,FE:*:C,VA;0)????????0.01 +.918402778*LFECVA+OFEC2;?
6000 N REF0 !
?TYPE_DEFINITION ) GES A_P_D CEMENTITE MAGNETIC??-3.00.25!
PHASE CEMENTITE??%)??231!
CONSTITUENT CEMENTITE??:FE : C :??!
PARAMETERTC(CEMENTITE,FE:C;0)?????????0.01 +485; 6000 N REF0 !
PARAMETERBMAGN(CEMENTITE,FE:C;0)??????0.01 +2.4400000E+00; 6000 N REF0 !
PARAMETERG(CEMENTITE,FE:C;0)??????????0.01 +GPOLYCE+GEINVCE
??+GMDOINCE; 6000 N REF0 !
PHASE DIAMOND??%11.0!
CONSTITUENT DIAMOND??:C :??!
PARAMETERG(DIAMOND,C;0)???????????????0.01 +GDIACC; 6000 N REF0 !
?TYPE_DEFINITION * GES A_P_D FCC_A1 MAGNETIC??-3.00.25!
PHASE FCC_A1??%*??211!
CONSTITUENT FCC_A1??:FE : C,VA :??!
PARAMETERG(FCC_A1,FE:C;0)?????????????0.01
???+GFEFCC+GHSERCC+7.2729000E+04-1.5212000E+01*T;
6000 N REF0 !
PARAMETERTC(FCC_A1,FE:C;0)????????????0.01 -201; 6000 N REF0 !
PARAMETERBMAGN(FCC_A1,FE:C;0)?????????0.01 -2.1; 6000 N REF0 !
PARAMETERG(FCC_A1,FE:VA;0)????????????0.01 +GFEFCC; 6000 N REF0 !
PARAMETERTC(FCC_A1,FE:VA;0)???????????0.01 -201; 6000 N REF0 !
PARAMETERBMAGN(FCC_A1,FE:VA;0)????????0.01 -2.1; 6000 N REF0 !
PARAMETERG(FCC_A1,FE:C,VA;0)??????????0.01 -3.0532000E+04;
6000 N REF0 !
?TYPE_DEFINITION + GES A_P_D GLASS_LIQ MAGNETIC??-3.00.25!
PHASE GLASS_LIQ??%+??11.0!
CONSTITUENT GLASS_LIQ??:C,FE :??!
PARAMETERG(GLASS_LIQ,C;0)?????????????0.01 +GCLIQ; 6000 N REF0 !
PARAMETERG(GLASS_LIQ,FE;0)????????????0.01 +7103.20801
??-.0019730116*T**2+1392.1182-8.2584018*T+GEIN245+G2STLIQ; 6000 N REF0 !
PARAMETERTC(GLASS_LIQ,FE;0)???????????0.01 +200; 6000 N REF0 !
PARAMETERBMAGN(GLASS_LIQ,FE;0)????????0.01 +1.7; 6000 N REF0 !
PARAMETERG(GLASS_LIQ,C,FE;0)??????????
0.01 -1.0295800E+05+1.8236000E+01*T; 6000 N REF0 !
PARAMETERG(GLASS_LIQ,C,FE;1)??????????
0.01 +8.7869000E+04-3.4089000E+01*T; 6000 N REF0 !
PARAMETERG(GLASS_LIQ,C,FE;2)??????????
0.01 +1.1108500E+05-5.0533000E+01*T; 6000 N REF0 !
PHASE GRAPHITE??%11.0!
CONSTITUENT GRAPHITE??:C :??!
PARAMETERG(GRAPHITE,C;0)??????????????0.01 +GHSERCC; 6000 N REF0 !
?TYPE_DEFINITION - GES A_P_D M2C MAGNETIC??-3.00.25!
PHASE M2C??%-??221!
CONSTITUENT M2C??:FE : C :??!
PARAMETERTC(M2C,FE:C;0)???????????????0.01 +663; 6000 N REF0 !
PARAMETERBMAGN(M2C,FE:C;0)????????????0.01 +BMET; 6000 N REF0 !
PARAMETERG(M2C,FE:C;0)????????????????0.01 +GPOLYET+GEINVET
??+GMDOINET+.33333333*GHSERCC+3.9048000E+03; 6000 N REF0 !
?TYPE_DEFINITION . GES A_P_D M5C2 MAGNETIC??-3.00.25!
PHASE M5C2??%.??252!
CONSTITUENT M5C2??:FE : C :??!
PARAMETERTC(M5C2,FE:C;0)??????????????0.01 +520; 6000 N REF0 !
PARAMETERBMAGN(M5C2,FE:C;0)???????????0.01 +BMHA; 6000 N REF0 !
PARAMETERG(M5C2,FE:C;0)???????????????0.01 +GPOLYHA+GEINVHA
??+GMDOINHA+.33333333*GHSERCC+2.5540000E+03;
6000 N REF0 !
?LIST_OF_REFERENCES
?NUMBER??SOURCE
!
There are some details that - at least with the Pandat software we are using are probably to be modified for what concerns Liquid phase
(red previous Gustaffsson database, blue Naraghi database)
So we have modified the original database which is presented here
$ from the orginal database
$
Element??????????C??????????????GRAPHITE????12.01110545.74!
Element?????????FE????????????????BCC_A2????55.847448927.28!
Element?????????VA????????????????VACUUM?????????000!
Element?????????/-??????????ELECTRON_GAS?????????000!
Function GCCLIQ 298.15????+100000+146.1*T-24.3*T*LN(T)-0.4723E-3*T**2 +2562600*T**(-1)-264300000*T**(-2)+1.2E10*T**(-3); 6000 N !
Function GHSERCC 298.15???-17369+170.73*T-24.3*T*LN(T)-4.723E-04*T**2 +2562600*T**(-1)-2.643E+08*T**(-2)+1.2E+10*T**(-3); 6000 N !
Function GFELIQ 298.15????+13265.0+117.57557*T-23.5143*T*LN(T)-4.39752E-3*T**2 -0.0589269E-6*T**3+77358.5*T**(-1)-367.51551E-23*T**7; 1811 Y
????-10839.7+291.302*T-46*T*LN(T); 6000 N !
Function GFEFCC 298.15???-237.57+132.416*T-24.6643*T*LN(T)-3.75752E-3*T**2 -0.058927E-6*T**3+77358.5*T**(-1); 1811 Y
????-27098.266+300.25256*T-46*T*LN(T)+2.78854E+31*T**(-9); 6000 N !
Function GHSERFE 298.15???+1224.83+124.134*T-23.5143*T*LN(T) -.00439752*T**2-5.89269E-08*T**3+77358.5*T**(-1); 1811 Y
????-25384.451+299.31255*T-46*T*LN(T)+2.2960305E+31*T**(-9); 6000 N !
Function GDIACCD 0.01??-16359.441+175.61*T-24.31*T*LN(T)-4.723E-04*T**2 +2698000*T**(-1)-2.61E+08*T**(-2)+1.11E+10*T**(-3); 6000 N !
Function POLYND 0.01??-18646+.001807*T**2-1.3059E-05*T**3 +1.975E-11*T**5; 6000 N !
Function TEMD 0.01??+1604.56; 6000 N !
Function TEMPD 0.01??-TEMD*T**(-1); 6000 N !
Function GEINV1D 0.01??+1-1*EXP(TEMPD); 6000 N !
Function GEINV2D 0.01??+1*LN(GEINV1D); 6000 N !
Function GEINV3D 0.01??+3*R*T*GEINV2D; 6000 N !
Function GEINVD 0.01??+1.5*R*TEMD+GEINV3D; 6000 N !
Function GDIACC 0.01??+POLYND+GEINVD; 298.15 Y
????+GDIACCD; 6000 N !
Function GFEC3 0.01??+GHSERFE+3*GHSERCC+1.6250500E+05+1.8446500E+02*T; 6000 N !
Function LFECVA 0.01??+1.5000000E+05-2.9000000E+02*T; 6000 N !
Function GFEC1 0.01??+.333333333*GHSERFE+.666666667*GFEC3 +.222222222*LFECVA; 6000 N !
Function GFEC2 0.01??+.666666667*GHSERFE+.333333333*GFEC3 +.222222222*LFECVA; 6000 N !
Function OFEC 0.01??+1.1465020E+06-2.9111050E+03*T; 6000 N !
Function OFEC2 0.01??+2.8797000E+04-5.2983000E+01*T; 6000 N !
Function TCE 0.01??+3.2091000E+02; 6000 N !
Function TEMPCE 0.01??-TCE*T**(-1); 6000 N !
Function GMEINV3C 0.01??+1-1*EXP(TEMPCE); 6000 N !
Function GMEINV2C 0.01??+1*LN(GMEINV3C); 6000 N !
Function GMEINV1C 0.01??+3*R*T*GMEINV2C; 6000 N !
Function GMEINVCE 0.01??+1.5*R*TCE+GMEINV1C; 6000 N !
Function GEINVCE 0.01??+4*GMEINVCE; 6000 N !
Function GMPOLYCE 0.01??-1.9000000E+03-2.8080000E-03*T**2; 6000 N !
Function GPOLYCE 0.01??+4*GMPOLYCE; 6000 N !
Function PCE 0.01??+.25; 6000 N !
Function TCCE 0.01??+485; 6000 N !
Function DCE 0.01??+.33471979+.49649686*PCE**(-1)-.49649686; 6000 N !
Function PDCE 0.01??+PCE*DCE; 6000 N !
Function GMDOIN5C 0.01??+TCCE*PDCE**(-1); 6000 N !
Function GMDOIN4C 0.01??+T-.38438376*GMDOIN5C; 6000 N !
Function GMDOIN3C 0.01??+1+2.4400000E+00; 6000 N !
Function GMDOIN2C 0.01??+1*LN(GMDOIN3C); 6000 N !
Function GMDOIN1C 0.01??+GMDOIN2C*GMDOIN4C; 6000 N !
Function GMDOINCE 0.01??-R*GMDOIN1C; 6000 N !
Function GEINVHA 0.01??+1.66666667*GEINVCE; 6000 N !
Function GPOLYHA 0.01??+1.66666667*GPOLYCE; 6000 N !
Function PHA 0.01??+.25; 6000 N !
Function TCHA 0.01??+520; 6000 N !
Function BMHA 0.01??-1+1*EXP(1.66666666*GMDOIN2C); 6000 N !
Function DHA 0.01??+.33471979+.49649686*PHA**(-1)-.49649686; 6000 N !
Function PDHA 0.01??+PHA*DHA; 6000 N !
Function GMDOIN5H 0.01??+TCHA*PDHA**(-1); 6000 N !
Function GMDOIN4H 0.01??+T-.38438376*GMDOIN5H; 6000 N !
Function GMDOIN3H 0.01??+1+BMHA; 6000 N !
Function GMDOIN2H 0.01??+1*LN(GMDOIN3H); 6000 N !
Function GMDOIN1H 0.01??+GMDOIN2H*GMDOIN4H; 6000 N !
Function GMDOINHA 0.01??-R*GMDOIN1H; 6000 N !
Function GEINVET 0.01??+.66666666*GEINVCE; 6000 N !
Function GPOLYET 0.01??+.66666666*GPOLYCE; 6000 N !
Function PET 0.01??+.25; 6000 N !
Function TCET 0.01??+663; 6000 N !
Function BMET 0.01??-1+1*EXP(.66666666*GMDOIN2C); 6000 N !
Function DET 0.01??+.33471979+.49649686/PET-.49649686; 6000 N !
Function PDET 0.01??+PET*DET; 6000 N !
Function GMDOIN5E 0.01??+TCET/PDET; 6000 N !
Function GMDOIN4E 0.01??+T-.38438376*GMDOIN5E; 6000 N !
Function GMDOIN3E 0.01??+1+BMET; 6000 N !
Function GMDOIN2E 0.01??+1*LN(GMDOIN3E); 6000 N !
Function GMDOIN1E 0.01??+GMDOIN2E*GMDOIN4E; 6000 N !
Function GMDOINET 0.01??-R*GMDOIN1E; 6000 N !
Type_Definition & GES AMEND_PHASE_DESCRIPTION BCC_A2 MAGNETIC -10.37!
Type_Definition ' GES AMEND_PHASE_DESCRIPTION BCT_Z1 MAGNETIC -10.37!
Type_Definition ( GES AMEND_PHASE_DESCRIPTION BCT_Z2 MAGNETIC -10.37!
Type_Definition ) GES AMEND_PHASE_DESCRIPTION CEMENTITE MAGNETIC -30.25!
Type_Definition * GES AMEND_PHASE_DESCRIPTION FCC_A1 MAGNETIC -30.25!
Type_Definition - GES AMEND_PHASE_DESCRIPTION M2C MAGNETIC -30.25!
Type_Definition . GES AMEND_PHASE_DESCRIPTION M5C2 MAGNETIC -30.25!
Define_System_Default ELEMENT2!
Default_Command DEF_SYS_ELEMENT VA !
Phase BCC_A2 %& 213!
Constituent BCC_A2 :FE:C,VA:!
ParameterG(BCC_A2,FE:C;0) 0.01??+GFEC3; 6000 N REF0 !
ParameterG(BCC_A2,FE:VA;0) 0.01??+GHSERFE; 6000 N REF0 !
ParameterG(BCC_A2,FE:C,VA;0) 0.01??+LFECVA; 6000 N REF0 !
ParameterBMAGN(BCC_A2,FE:C;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCC_A2,FE:VA;0) 0.01??+2.22; 6000 N REF0 !
ParameterTC(BCC_A2,FE:C;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCC_A2,FE:VA;0) 0.01??+1043; 6000 N REF0 !
Phase BCT_Z1 %' 3112!
Constituent BCT_Z1 :FE:C,VA:C,VA:!
ParameterG(BCT_Z1,FE:C:C;0) 0.01??+GFEC3; 6000 N REF0 !
ParameterG(BCT_Z1,FE:VA:C;0) 0.01??+GFEC1-OFEC; 6000 N REF0 !
ParameterG(BCT_Z1,FE:C:VA;0) 0.01??+GFEC2-OFEC; 6000 N REF0 !
ParameterG(BCT_Z1,FE:VA:VA;0) 0.01??+GHSERFE; 6000 N REF0 !
ParameterG(BCT_Z1,FE:C,VA:*;0) 0.01??+.1111111*LFECVA+OFEC; 6000 N REF0 !
ParameterG(BCT_Z1,FE:*:C,VA;0) 0.01??+.4444444*LFECVA+OFEC; 6000 N REF0 !
ParameterBMAGN(BCT_Z1,FE:C:C;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCT_Z1,FE:VA:C;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCT_Z1,FE:C:VA;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCT_Z1,FE:VA:VA;0) 0.01??+2.22; 6000 N REF0 !
ParameterTC(BCT_Z1,FE:C:C;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCT_Z1,FE:VA:C;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCT_Z1,FE:C:VA;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCT_Z1,FE:VA:VA;0) 0.01??+1043; 6000 N REF0 !
Phase BCT_Z2 %( 310.1252.875!
Constituent BCT_Z2 :FE:C,VA:C,VA:!
ParameterG(BCT_Z2,FE:C:C;0) 0.01??+GFEC3; 6000 N REF0 !
ParameterG(BCT_Z2,FE:VA:C;0) 0.01??+.958333333*GFEC3 +.0416666667*GHSERFE+.0399305556*LFECVA-OFEC2; 6000 N REF0 !
ParameterG(BCT_Z2,FE:C:VA;0) 0.01??+.0416666667*GFEC3 +.958333333*GHSERFE+.0399305556*LFECVA-OFEC2; 6000 N REF0 !
ParameterG(BCT_Z2,FE:VA:VA;0) 0.01??+GHSERFE; 6000 N REF0 !
ParameterG(BCT_Z2,FE:C,VA:*;0) 0.01??+.00173611111*LFECVA +OFEC2; 6000 N REF0 !
ParameterG(BCT_Z2,FE:*:C,VA;0) 0.01??+.918402778*LFECVA+OFEC2; 6000 N REF0 !
ParameterBMAGN(BCT_Z2,FE:C:C;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCT_Z2,FE:VA:C;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCT_Z2,FE:C:VA;0) 0.01??+2.22; 6000 N REF0 !
ParameterBMAGN(BCT_Z2,FE:VA:VA;0) 0.01??+2.22; 6000 N REF0 !
ParameterTC(BCT_Z2,FE:C:C;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCT_Z2,FE:VA:C;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCT_Z2,FE:C:VA;0) 0.01??+1043; 6000 N REF0 !
ParameterTC(BCT_Z2,FE:VA:VA;0) 0.01??+1043; 6000 N REF0 !
Phase CEMENTITE %) 231!
Constituent CEMENTITE :FE:C:!
ParameterG(CEMENTITE,FE:C;0) 0.01??+GPOLYCE+GEINVCE +GMDOINCE; 6000 N REF0 !
ParameterBMAGN(CEMENTITE,FE:C;0) 0.01??+2.4400000E+00; 6000 N REF0 !
ParameterTC(CEMENTITE,FE:C;0) 0.01??+485; 6000 N REF0 !
Phase DIAMOND %11!
Constituent DIAMOND :C:!
ParameterG(DIAMOND,C;0) 0.01??+GDIACC; 6000 N REF0 !
Phase FCC_A1 %* 211!
Constituent FCC_A1 :FE:C,VA:!
ParameterG(FCC_A1,FE:C;0) 0.01???+GFEFCC+GHSERCC+7.2729000E+04-1.5212000E+01*T; 6000 N REF0 !
ParameterG(FCC_A1,FE:VA;0) 0.01??+GFEFCC; 6000 N REF0 !
ParameterG(FCC_A1,FE:C,VA;0) 0.01??-3.0532000E+04; 6000 N REF0 !
ParameterBMAGN(FCC_A1,FE:C;0) 0.01??-2.1; 6000 N REF0 !
ParameterBMAGN(FCC_A1,FE:VA;0) 0.01??-2.1; 6000 N REF0 !
ParameterTC(FCC_A1,FE:C;0) 0.01??-201; 6000 N REF0 !
ParameterTC(FCC_A1,FE:VA;0) 0.01??-201; 6000 N REF0 !
Phase LIQUID:L %11!
Constituent LIQUID :C,FE:!
ParameterG(LIQUID,C;0) 298.15??+GCCLIQ; 6000 N !
ParameterG(LIQUID,FE;0) 298.15??+GFELIQ; 6000 N !
ParameterG(LIQUID,C,FE;0) 298.15??-124320+28.5*T; 6000 N !
ParameterG(LIQUID,C,FE;1) 298.15??+19300; 6000 N !
ParameterG(LIQUID,C,FE;2) 298.15??+49260-19*T; 6000 N !
Phase GRAPHITE %11!
Constituent GRAPHITE :C:!
ParameterG(GRAPHITE,C;0) 0.01??+GHSERCC; 6000 N REF0 !
Phase M2C %- 221!
Constituent M2C :FE:C:!
ParameterG(M2C,FE:C;0) 0.01??+GPOLYET+GEINVET +GMDOINET+.33333333*GHSERCC+3.9048000E+03; 6000 N REF0 !
ParameterBMAGN(M2C,FE:C;0) 0.01??+BMET; 6000 N REF0 !
ParameterTC(M2C,FE:C;0) 0.01??+663; 6000 N REF0 !
Phase M5C2 %. 252!
Constituent M5C2 :FE:C:!
ParameterG(M5C2,FE:C;0) 0.01??+GPOLYHA+GEINVHA +GMDOINHA+.33333333*GHSERCC+2.5540000E+03; 6000 N REF0 !
ParameterBMAGN(M5C2,FE:C;0) 0.01??+BMHA; 6000 N REF0 !
ParameterTC(M5C2,FE:C;0) 0.01??+520; 6000 N REF0 !
Critical Assessment 34: Are χ (H?gg), η and ? carbides transition-phases relative to cementite in steels??H. K. D. H. Bhadeshia, A. R. Chintha & S. Lenka https://doi.org/10.1080/02670836.2019.1625526 ?
IMPORTANCE OF THE MECHANOCHEMICAL SYNTHESIS and
PERSPECTIVES FOR FUTURE WORK
?-???????Low temperature (100°C-250°C) annealing of Mechanosynthesize iron carbides
-???????Trial and error assignment of structure and Mossbauer hyperfine fields
-???????Rebuilding of Fe-C Calphad database(s) which could contain a simple Entalphy term