RESOLVED! I'm looking for the thermodynamic parameters for the binary system Co-Ru, and I found a paper "Assessment of the atomic mobility for the fcc phase of Ni-Co-x (x=Re and Ru) system" by X.J. Liu (CALPHAD, Vol. 45, 2014, pp. 138-144), but I can't reproduce the pictured phase diagram (using ThermoCalc), instead, I get a miscibility gap in the solid phase. Does anyone have the same problem and can help?
They provided the TDB file in the appendix of the paper, you can download it from sciencedirect. I calculated the phase diagram using Pandat2018 with their provided TDB. The phase diagram looks similar to their published one. No miscibility gap is detected in the solid phase. But the curvature of the ZPF line of Fcc_A1 looks a little bit strange to me.
Dear Songmao Liang , thank you for pointing out the appendix. Unfortunately it did not work, I still got this weirdly-shaped miscibility gap where I suddenly have two hcp phases. I'm using ThermoCalc, but I think that Pandat and ThermoCalc should both be able to calculate the phase diagram in the same manner. Under which conditions do you calculate your starting equilibrium? I use p=1e5, n=1, t=1300, x(ru)=0.3 (i also tried other x and t, but it still didnt work). Zhaoxi Sun , I already did that, but until now I did not receive an answer.
Dear Alexandra, you can directly download and use the demo version of Pandat from Computherm, it's free up to three components so you can use it and compare to Thermocalc.
In any case, in the database from the paper you refer to there is just one HCP phase:
...
TYPE_DEFINITION % SEQ *!
DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- !
PHASE LIQUID % 1 1.0 !
CONSTITUENT LIQUID :CO,RU : !
PARAMETER G(LIQUID,CO;0) 2.98150E+02 +15395.278+124.434078*T
-25.0861*T*LN(T)-.002654739*T**2-1.7348E-07*T**3+72527*T**(-1)
-2.19801E-21*T**7; 1.76800E+03 Y
-846.61+243.599944*T-40.5*T*LN(T); 6.00000E+03 N REF1 !
PARAMETER G(LIQUID,RU;0) 2.98150E+02 +19918.743+119.467485*T
-22.9143287*T*LN(T)-.004062566*T**2+1.7641E-07*T**3+56377*T**(-1);
8.00000E+02 Y
+50827.232-179.818561*T+19.539341*T*LN(T)-.026524167*T**2
+1.667839E-06*T**3-3861125*T**(-1); 2.60700E+03 Y
-17161.807+349.673561*T-51.8816*T*LN(T); 4.50000E+03 N REF1 !
PARAMETER G(LIQUID,CO,RU;0) 2.98150E+02 -4000-2*T;
6.00000E+03 N REF1 !
TYPE_DEFINITION ) GES A_P_D FCC_A1 MAGNETIC -3.0 2.80000E-01 !
PHASE FCC_A1 %) 2 1 1 !
CONSTITUENT FCC_A1 :CO%,RU : VA% : !
PARAMETER G(FCC_A1,CO:VA;0) 2.98150E+02 +737.832+132.750762*T
-25.0861*T*LN(T)-.002654739*T**2-1.7348E-07*T**3+72527*T**(-1);
1.76800E+03 Y
-16770.075+252.668487*T-40.5*T*LN(T)+9.3488E+30*T**(-9); 6.00000E+03 N
REF0 !
PARAMETER TC(FCC_A1,CO:VA;0) 2.98150E+02 1396; 6.00000E+03 N REF0 !
PARAMETER BMAGN(FCC_A1,CO:VA;0) 2.98150E+02 1.35; 6.00000E+03 N
REF0 !
PARAMETER G(FCC_A1,RU:VA;0) 2.98150E+02 +4938.127+125.466233*T
-22.9143287*T*LN(T)-.004062566*T**2+1.7641E-07*T**3+56377*T**(-1);
1.50000E+03 Y
-46948.103+487.116214*T-72.3241219*T*LN(T)+.018726245*T**2
-1.952433E-06*T**3+11063885*T**(-1); 2.60700E+03 Y
-38576273+168608.117*T-21329.705*T*LN(T)+5.221639*T**2
-2.40245985E-04*T**3+1.30829926E+10*T**(-1); 2.74000E+03 Y
-43268.304+362.082314*T-51.8816*T*LN(T); 4.50000E+03 N REF0 !
PARAMETER G(FCC_A1,CO,RU:VA;0) 2.98150E+02 -5500+0.5*T; 6.00000E+03 N
REF0 !
PARAMETER G(FCC_A1,CO,RU:VA;1) 2.98150E+02 -5000+5.5*T; 6.00000E+03 N
REF0 !
TYPE_DEFINITION * GES A_P_D HCP_A3 MAGNETIC -3.0 2.80000E-01 !
PHASE HCP_A3 %* 2 1 .5 !
CONSTITUENT HCP_A3 :CO%,RU% : VA% : !
PARAMETER G(HCP_A3,CO:VA;0) 2.98150E+02 +310.241+133.36601*T
-25.0861*T*LN(T)-.002654739*T**2-1.7348E-07*T**3+72527*T**(-1);
1.76800E+03 Y
-17197.666+253.28374*T-40.5*T*LN(T)+9.3488E+30*T**(-9); 6.00000E+03 N
REF0 !
PARAMETER TC(HCP_A3,CO:VA;0) 2.98150E+02 1396; 6.00000E+03 N REF0 !
PARAMETER BMAGN(HCP_A3,CO:VA;0) 2.98150E+02 1.35; 6.00000E+03 N
REF0 !
PARAMETER G(HCP_A3,RU:VA;0) 2.98150E+02 -7561.873+127.866233*T
-22.9143287*T*LN(T)-.004062566*T**2+1.7641E-07*T**3+56377*T**(-1);
1.50000E+03 Y
-59448.103+489.516214*T-72.3241219*T*LN(T)+.018726245*T**2
-1.952433E-06*T**3+11063885*T**(-1); 2.60700E+03 Y
-38588773+168610.517*T-21329.705*T*LN(T)+5.221639*T**2
-2.40245985E-04*T**3+1.30829926E+10*T**(-1); 2.74000E+03 Y
-55768.304+364.482314*T-51.8816*T*LN(T); 4.50000E+03 N REF0 !
PARAMETER G(HCP_A3,CO,RU:VA;0) 2.98150E+02 -10000+7.2*T; 6.00000E+03 N
REF0 !
PARAMETER G(HCP_A3,CO,RU:VA;1) 2.98150E+02 4900+1.5*T; 6.00000E+03 N
REF0 !
I hope it might help
FM
I found the solution which works: I dramatically increased the increment from 10 to 250, now the calculated phase diagram looks like the published one :)
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