$************************************************************************** $ $ mc_fe_v2.012.ddb $ $************RELEASE VERSION*********************************************** $ $ MatCalc mobility diffusion database for steel, created 2018-04-26 $ $ This database contains a selection of published $ as well as newly assessed diffusion mobility data. $ Parameters have been assessed at TU Wien by Povoden-Karadeniz Erwin. $ $ ######################################################################### $ $ use with MatCalc version 5.62.0.010 or higher $ $ ######################################################################### $ $ Copyright holder and editor: $ Erwin Povoden-Karadeniz (erwin.povoden-karadeniz@tuwien.ac.at) $ $ This database mc_fe_v2.012.ddb is made available under the $ Open Database License: http://opendatacommons.org/licenses/odbl/1.0/. $ Any rights in individual contents of the database are licensed under the $ Database Contents License: http://opendatacommons.org/licenses/dbcl/1.0/. $ $ ######################################################################### $************************************************************************** $ $ Definition of elementary functions $ $************************************************************************** $ activation energy and frequency factor for fcc Cu FUNCTION QCU_FCC 273.00 +204670; 6000.00 N Ref:10 ! FUNCTION D0CU_FCC 273.00 +6.0E-5-4.7E-8*T+2.5e-11*T**2; 6000.00 N Ref:10 ! $ activation energy and frequency factor for fcc Fe FUNCTION QFE_FCC 273.00 +286000; 6000.00 N Ref:18 ! FUNCTION D0FE_FCC 273.00 +7.0E-5; 6000.00 N Ref:18 ! $ activation energy and frequency factor for bcc iron FUNCTION QFE_BCC 273.00 +218000; 6000.00 N Ref:14 ! FUNCTION D0FE_BCC 273.00 +4.6E-5; 6000.00 N Ref:14 ! $ Diffusion mobility of H in bcc iron FUNCTION QHFE 273.00 +10130; 6000.00 N Ref:50 ! FUNCTION DHFE 273.00 +7.5E-8; 6000.00 N Ref:50 ! $ Diffusion mobility of H in fcc iron FUNCTION QHFEG 273.00 +50000; 6000.00 N Ref:pov18 ! FUNCTION DHFEG 273.00 +7E-7; 6000.00 N Ref:pov18 ! $########################################################################## $ D I F F U S I O N D A T A $########################################################################## $ define the magnetic parameters for the bcc phase DIFFUSION MAGNETIC BCC_A2 ALPHA=0.3 ALPHA2&C=1.8 ALPHA2&N=0.6 Ref:15,16 ! $ -------------------------------------------------------------------- $ default: if no explicit parameters are given, this value is used $ -------------------------------------------------------------------- $########################################################################## $ PHASE: F C C $########################################################################## $ ******************************************************************** $ AL - Aluminum $ ******************************************************************** $ Default value: Impurity diffusion of Al in Fe. PARAMETER MQ(FCC_A1&AL,*) 273.00 -QFE_FCC+R*T*LN(5.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Al diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&AL,AL:*) 273.00 -142000+R*T*LN(1.71E-4); 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&AL,CR:*) 273.00 -235000-82*T; 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&AL,CU:*) 273.00 -181583.4-99.8*T; 6000.00 N Ref:46 ! PARAMETER MQ(FCC_A1&AL,FE:*) 273.00 -QFE_FCC +R*T*LN(5.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&AL,NI:*) 273.00 -284000+R*T*LN(7.5E-4); 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&AL,TI:*) 273.00 -284000-59.8*T; 6000.00 N Ref:20 ! $ interactions PARAMETER MQ(FCC_A1&AL,AL,CR:*;0) 273.00 +335000; 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&AL,AL,CU:*;0) 273.00 -183094.3+159.01*T; 6000.00 N Ref:46 ! PARAMETER MQ(FCC_A1&AL,AL,NI:*;0) 273.00 -41300-91.2*T; 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&AL,AL,TI:*;0) 273.00 +335000; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&AL,CR,NI:*;0) 273.00 -53200; 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&AL,CU,FE:*;0) 273.00 -92388.59; 6000.00 N Ref:6 ! PARAMETER MQ(FCC_A1&AL,NI,TI:*;0) 273.00 -53200; 6000.00 N Ref:20 ! $ ******************************************************************** $ B - BORON $ ******************************************************************** $ Default value: Impurity diffusion of B in Fe. PARAMETER MQ(FCC_A1&B,*) 273.00 -110929+R*T*LN(2.6E-7); 6000.00 N Ref:32 ! $ ------------------------------------- $ explicit parameters for B diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&B,FE:*) 273.00 -110929+R*T*LN(2.6E-7); 6000.00 N Ref:32 ! PARAMETER MQ(FCC_A1&B,NI:*) 273.00 -96287+R*T*LN(6.6E-7); 6000.00 N Ref:32 ! $ ******************************************************************** $ C - CARBON $ ******************************************************************** $ Default value: Impurity diffusion of C in Fe. PARAMETER MQ(FCC_A1&C,*) 273.00 -147724+32.809*T +R*T*LN(4.529E-7); 6000.00 N Ref:22 ! $ ------------------------------------- $ explicit parameters for C diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&C,CR:VA) 273.00 -150000-90*T; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE:VA) 273.00 -147724+32.809*T +R*T*LN(4.529E-7); 6000.00 N Ref:22 ! PARAMETER MQ(FCC_A1&C,NI:VA) 273.00 -154700-81.7*T; 6000.00 N Ref:13 ! $removed this parameter. Very strange behavior. $The original literature is certainly $not convincing here (Fig 12 in Ref. 13). Removed by Koze (2014-01-27) $PARAMETER MQ(FCC_A1&C,CR:C) 273.00 -2E6; 6000.00 N $Ref:13 ! PARAMETER MQ(FCC_A1&C,FE:C) 273.00 +72078-16.009*T +R*T*LN(4.529E-7); 6000.00 N Ref:22 ! PARAMETER MQ(FCC_A1&C,NI:C) 273.00 -154700-31*T; 6000.00 N Ref:13 ! $ interactions PARAMETER MQ(FCC_A1&C,CR,FE:VA;0) 273.00 -240000+170*T; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,CR,NI:VA;0) 273.00 -74000; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE,NI:VA;0) 273.00 +5000; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE,NI:VA;1) 273.00 +15000; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE,NI:VA;2) 273.00 +1e-8; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,CR,FE:C;0) 273.00 -240000+170*T; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,CR,NI:C;0) 273.00 -74000; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE,NI:C;0) 273.00 +5000; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE,NI:C;1) 273.00 +15000; 6000.00 N Ref:13 ! PARAMETER MQ(FCC_A1&C,FE,NI:C;2) 273.00 +1e-8; 6000.00 N Ref:13 ! $ ******************************************************************** $ CO - Cobalt $ ******************************************************************** $ Default value: Impurity diffusion of Co in Fe. PARAMETER MQ(FCC_A1&CO,*) 273.00 -QFE_FCC+R*T*LN(0.5*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for CO diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&CO,CO:*) 273.00 -301654-70.10*T; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&CO,FE:*) 273.00 -QFE_FCC +R*T*LN(0.5*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&CO,NI:*) 273.00 -287000+R*T*LN(0.00032); 6000.00 N Ref:37 ! $ interactions PARAMETER MQ(FCC_A1&CO,CO,FE:*;0) 273.00 +305495-201.71*T; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&CO,CO,NI:*;0) 273.00 -5000; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&CO,CO,FE,NI:*;0) 273.00 -826550; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&CO,CO,FE,NI:*;1) 273.00 +319460; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&CO,CO,FE,NI:*;2) 273.00 +494820; 6000.00 N Ref:37 ! $ ******************************************************************** $ CR - Chromium $ ******************************************************************** $ Default value: Impurity diffusion of Cr in Fe. PARAMETER MQ(FCC_A1&CR,*) 273.00 -286000-71.9*T; 6000.00 N Ref:19 ! $ ------------------------------------- $ explicit parameters for Cr diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&CR,AL:*) 273.00 -261700-3.71*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&CR,CR:*) 273.00 -235000-82.0*T; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&CR,FE:*) 273.00 -286000-71.9*T; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&CR,NI:*) 273.00 -287000-64.4*T; 6000.00 N Ref:19 ! $ interactions PARAMETER MQ(FCC_A1&CR,AL,CR:*;0) 273.00 +487000; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&CR,AL,NI:*;0) 273.00 -118000; 6000.00 N Ref:41 ! PARAMETER MQ(FCC_A1&CR,CR,FE:*;0) 273.00 -105000; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&CR,CR,NI:*;0) 273.00 -68000; 6000.00 N Ref:41 ! PARAMETER MQ(FCC_A1&CR,FE,NI:*;0) 273.00 +16100; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&CR,CR,FE,NI:*;0) 273.00 +310000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&CR,CR,FE,NI:*;1) 273.00 +320000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&CR,CR,FE,NI:*;2) 273.00 +120000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&CR,FE,MN:*;0) 273.00 +150000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&CR,FE,MN:*;1) 273.00 -150000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&CR,CR,FE,MN:*;0) 273.00 +1e-8; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&CR,CR,FE,MN:*;1) 273.00 +1000000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&CR,CR,FE,MN:*;2) 273.00 +1e-8; 6000.00 N Ref:pov13 ! $ ******************************************************************** $ CU - Copper $ ******************************************************************** $ Default value: Impurity diffusion of Cu in Fe. PARAMETER MQ(FCC_A1&CU,*) 273.00 -QFE_FCC+R*T*LN(1.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for CU diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&CU,AL:*) 273.00 -133900+R*T*LN(4.44E-5); 6000.00 N Ref:24 ! PARAMETER MQ(FCC_A1&CU,CU:*) 273.00 -QCU_FCC +R*T*LN(1.0*D0CU_FCC); 6000.00 N Ref:10 ! PARAMETER MQ(FCC_A1&CU,FE:*) 273.00 -QFE_FCC +R*T*LN(1.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&CU,NI:*) 273.00 -255000+R*T*LN(0.61E-4); 6000.00 N Ref:11 ! $ interactions PARAMETER MQ(FCC_A1&CU,AL,CU:*;0) 273.00 -31461.4+78.91*T; 6000.00 N Ref:46 ! PARAMETER MQ(FCC_A1&CU,CU,FE:*;0) 273.00 -4930.84-24.75*T; 6000.00 N Ref:46 ! $ ******************************************************************** $ FE - Iron $ ******************************************************************** $ Default value: Fe self diffusion PARAMETER MQ(FCC_A1&FE,*) 273.00 -QFE_FCC+R*T*LN(1.0*D0FE_FCC); 6000.00 N Ref:18 ! $ ------------------------------------- $ explicit parameters for Fe diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&FE,AL:*) 273.00 -214000+R*T*LN(3.62E-1); 6000.00 N Ref:24 ! PARAMETER MQ(FCC_A1&FE,CO:*) 273.00 -253301-97.97*T; 6000.00 N Ref:38 ! PARAMETER MQ(FCC_A1&FE,CU:*) 273.00 -207421-81.91*T; 6000.00 N Ref:46 ! PARAMETER MQ(FCC_A1&FE,CR:*) 273.00 -235000-82.0*T; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&FE,MN:*) 273.00 -212755.85-98.07*T; 6000.00 N Ref:44 ! PARAMETER MQ(FCC_A1&FE,NI:*) 273.00 -287000-67.5*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&FE,PD:*) 273.00 -272534.28-82.4*T; 6000.00 N Ref:49 ! $ interactions PARAMETER MQ(FCC_A1&FE,AL,CU:*;0) 273.00 +214878.6; 6000.00 N Ref:46 ! PARAMETER MQ(FCC_A1&FE,CO,FE:*;0) 273.00 -63300+48.68*T; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&FE,CR,FE:*;0) 273.00 +15900; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&FE,CR,NI:*;0) 273.00 -77500; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&FE,CU,FE:*;0) 273.00 -100000; 6000.00 N Ref:pov14 ! PARAMETER MQ(FCC_A1&FE,CU,FE:*;1) 273.00 -125000; 6000.00 N Ref:pov14 ! PARAMETER MQ(FCC_A1&FE,CU,FE:*;2) 273.00 -50000; 6000.00 N Ref:pov14 ! PARAMETER MQ(FCC_A1&FE,FE,MN:*;0) 273.00 -10711.05-26.32*T; 6000.00 N Ref:44 ! PARAMETER MQ(FCC_A1&FE,FE,MN:*;1) 273.00 +16312.22; 6000.00 N Ref:44 ! PARAMETER MQ(FCC_A1&FE,FE,NI:*;0) 273.00 -115000+104*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&FE,FE,NI:*;1) 273.00 +78800-73.3*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&FE,FE,PD:*;0) 273.00 +58558.77+27.47*T; 6000.00 N Ref:49 ! PARAMETER MQ(FCC_A1&FE,CO,FE,NI:*;0) 273.00 +8688; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&FE,CO,FE,NI:*;1) 273.00 +514100; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&FE,CO,FE,NI:*;2) 273.00 -265830; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&FE,CR,FE,NI:*;0) 273.00 -740000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&FE,CR,FE,NI:*;1) 273.00 -540000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&FE,CR,FE,NI:*;2) 273.00 +750000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&FE,CR,FE,MN:*;0) 273.00 +1e-8; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&FE,CR,FE,MN:*;1) 273.00 +1000000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&FE,CR,FE,MN:*;2) 273.00 +1e-8; 6000.00 N Ref:pov13 ! $ ******************************************************************** $ H - Hydrogen $ ******************************************************************** $ Default value: Impurity diffusion of H in Fe. PARAMETER MQ(FCC_A1&H,*) 273.00 -QHFEG +R*T*LN(DHFEG); 6000.00 N Ref:pov18 ! $ ------------------------------------- $ explicit parameters for H diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&H,FE:VA) 273.00 -QHFEG +R*T*LN(DHFEG); 6000.00 N Ref:pov18 ! PARAMETER MQ(FCC_A1&H,NI:VA) 273.00 -41400 +R*T*LN(9.2E-7); 6000.00 N Ref:pov18 ! $ ******************************************************************** $ HF - Hafnium $ ******************************************************************** $ Default value: Impurity diffusion of Hf in Fe. PARAMETER MQ(FCC_A1&HF,*) 273.00 -407278+R*T*LN(0.36); 6000.00 N Ref:43 ! $ ------------------------------------- $ explicit parameters for Hf diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&HF,HF:*) 273.00 -235350-123*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&HF,NI:*) 273.00 -251956-71.2*T; 6000.00 N Ref:20 ! $ ******************************************************************** $ LA - Lanthanum $ ******************************************************************** $ Assume same values as for Yttrium. PARAMETER MQ(FCC_A1&LA,*) 273.00 -350000+R*T*LN(D0FE_FCC); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for La diffusion $ ------------------------------------- $ ******************************************************************** $ MN - Manganese $ ******************************************************************** $ Default value: Impurity diffusion of Mn in Fe. PARAMETER MQ(FCC_A1&MN,*) 273.00 -QFE_FCC+R*T*LN(2.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Mn diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&MN,AL:*) 273.00 -211500+R*T*LN(1.35E-2); 6000.00 N Ref:24 ! PARAMETER MQ(FCC_A1&MN,FE:*) 273.00 -QFE_FCC +R*T*LN(2.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&MN,MN:*) 273.00 -212755.85-98.07*T; 6000.00 N Ref:44 ! $ interactions PARAMETER MQ(FCC_A1&MN,FE,MN:*;0) 273.00 -24655.58+25.32*T; 6000.00 N Ref:44 ! PARAMETER MQ(FCC_A1&MN,FE,MN:*;1) 273.00 -32017.56; 6000.00 N Ref:44 ! PARAMETER MQ(FCC_A1&MN,CR,FE:*;0) 273.00 +50000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&MN,CR,FE:*;1) 273.00 -50000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&MN,CR,FE:*;2) 273.00 +1e-8; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&MN,CR,FE,MN:*;0) 273.00 +1e-8; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&MN,CR,FE,MN:*;1) 273.00 +1000000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&MN,CR,FE,MN:*;2) 273.00 +1e-8; 6000.00 N Ref:pov13 ! $ ******************************************************************** $ MO - Molybdenum $ ******************************************************************** $ Default: Impurity diffusion of Mo in Fe PARAMETER MQ(FCC_A1&MO,*) 273.00 -QFE_FCC+R*T*LN(3.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Mo diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&MO,CO:*) 273.00 -256943+R*T*LN(1.2061e-5); 6000.00 N Ref:11 ! PARAMETER MQ(FCC_A1&MO,CR:*) 273.00 -242800+R*T*LN(2.7E-7); 6000.00 N Ref:11 ! PARAMETER MQ(FCC_A1&MO,FE:*) 273.00 -QFE_FCC +R*T*LN(3.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&MO,MO:*) 273.00 -254975-81.5*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&MO,NI:*) 273.00 -267585-79.5*T; 6000.00 N Ref:20 ! $ ******************************************************************** $ N - Nitrogen $ ******************************************************************** $ Default value: Impurity diffusion of N in Fe. PARAMETER MQ(FCC_A1&N,*) 273.00 -168560+R*T*LN(0.91E-4); 6000.00 N Ref:11 ! $ ------------------------------------- $ explicit parameters for N diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&N,FE:*) 273.00 -168560+R*T*LN(0.91E-4); 6000.00 N Ref:11 ! PARAMETER MQ(FCC_A1&N,NI:*) 273.00 -95600+R*T*LN(+3e-010); 6000.00 N Ref:48 ! $ ******************************************************************** $ NB - Niobium $ ******************************************************************** $ Default value: impurity diffusion of Nb in FE PARAMETER MQ(FCC_A1&NB,*) 273.00 -QFE_FCC+R*T*LN(6.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for NB diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&NB,FE:*) 273.00 -QFE_FCC +R*T*LN(6.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&NB,NB:*) 273.00 -438400+R*T*LN(3.7E-4); 6000.00 N Ref:11 ! PARAMETER MQ(FCC_A1&NB,NI:*) 273.00 -215000+R*T*LN(+2e-006); 6000.00 N Ref:21 ! $ ******************************************************************** $ NI - Nickel $ ******************************************************************** $ Default value: Impurity diffusion of Ni in Fe. PARAMETER MQ(FCC_A1&NI,*) 273.00 -286000-86.0*T; 6000.00 N Ref:18 ! $ ------------------------------------- $ explicit parameters for Ni diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&NI,AL:*) 273.00 -145900-64.3*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&NI,CO:*) 273.00 -315816-57.16*T; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&NI,CR:*) 273.00 -235000-82.0*T; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&NI,FE:*) 273.00 -286000-86.0*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&NI,NI:*) 273.00 -287000-69.8*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&NI,TI:*) 273.00 -287000-69.8*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&NI,W:*) 273.00 -628250-63.5*T; 6000.00 N Ref:20 ! $ interactions PARAMETER MQ(FCC_A1&NI,AL,CR:*;0) 273.00 -211000; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&NI,AL,NI:*;0) 273.00 -113000+65.5*T; 6000.00 N Ref:12 ! PARAMETER MQ(FCC_A1&NI,AL,TI:*;0) 273.00 -211000; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&NI,CO,NI:*;0) 273.00 +9335; 6000.00 N Ref:37 ! PARAMETER MQ(FCC_A1&NI,CR,FE:*;0) 273.00 -119000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&NI,CR,NI:*;0) 273.00 -81000; 6000.00 N Ref:19 ! PARAMETER MQ(FCC_A1&NI,FE,NI:*;0) 273.00 +124000-51.4*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&NI,FE,NI:*;1) 273.00 -300000+213*T; 6000.00 N Ref:18 ! PARAMETER MQ(FCC_A1&NI,NI,TI:*;0) 273.00 -81000; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&NI,NI,W:*;0) 273.00 +175736; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&NI,CO,FE,NI:*;0) 273.00 -185730; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&NI,CO,FE,NI:*;1) 273.00 -6610; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&NI,CO,FE,NI:*;2) 273.00 -38480; 6000.00 N Ref:39 ! PARAMETER MQ(FCC_A1&NI,CR,FE,NI:*;0) 273.00 +1840000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&NI,CR,FE,NI:*;1) 273.00 +670000; 6000.00 N Ref:17 ! PARAMETER MQ(FCC_A1&NI,CR,FE,NI:*;2) 273.00 -1120000; 6000.00 N Ref:17 ! $ ******************************************************************** $ O - OXYGEN $ ******************************************************************** $ Default value: Impurity diffusion of O in Fe. PARAMETER MQ(FCC_A1&O,*) 273.00 -167500+R*T*LN(3.5E-4); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for O diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&O,CU:*) 273.00 -68000+R*T*LN(1.5e-6); 6000.00 N Ref:pov12 ! PARAMETER MQ(FCC_A1&O,NI:*) 273.00 -260000+R*T*LN(3); 6000.00 N Ref:pov12 ! $ ******************************************************************** $ P - Phosphorus $ ******************************************************************** $ Default value: Impurity diffusion of P in Fe. PARAMETER MQ(FCC_A1&P,*) 273.00 -QFE_FCC+R*T*LN(30*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for P diffusion $ ------------------------------------- $ ******************************************************************** $ PD - Palladium $ ******************************************************************** $ Default value: assumed impurity diffusion in Fe. PARAMETER MQ(FCC_A1&PD,*) 273.00 -QFE_FCC+R*T*LN(2*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for PD diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&PD,PD:*) 273.00 -279931.89-79.51*T; 6000.00 N Ref:49 ! $ interactions PARAMETER MQ(FCC_A1&PD,FE,PD:*;0) 273.00 -11021.81+63.55*T; 6000.00 N Ref:49 ! $ ******************************************************************** $ S - Sulfur $ ******************************************************************** $ Default value: impurity diffusion of S in FE. PARAMETER MQ(FCC_A1&S,*) 273.00 -QFE_FCC+R*T*LN(150*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for S diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&S,CU:*) 273.00 -QCU_FCC+R*T*LN(0.0018); 6000.00 N Ref:33 ! $ ******************************************************************** $ SI - Silicon $ ******************************************************************** $ Default value: impurity diffusion of Si in Fe. PARAMETER MQ(FCC_A1&SI,*) 273.00 -QFE_FCC+R*T*LN(10.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Si diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&SI,AL:*) 273.00 -117600+R*T*LN(1.38E-5); 6000.00 N Ref:24 ! PARAMETER MQ(FCC_A1&SI,FE:*) 273.00 -QFE_FCC +R*T*LN(10.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&SI,SI:*) 273.00 -448400+R*T*LN(154E-4); 6000.00 N Ref:11 ! $ ******************************************************************** $ TI - Titanium $ ******************************************************************** $ Default value: impurity diffusion of Ti in Fe. PARAMETER MQ(FCC_A1&TI,*) 273.00 -QFE_FCC+R*T*LN(4.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Ti diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&TI,AL:*) 273.00 -260000+R*T*LN(1.12e-1); 6000.00 N Ref:47 ! PARAMETER MQ(FCC_A1&TI,FE:*) 273.00 -QFE_FCC +R*T*LN(4.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&TI,NI:*) 273.00 -256900-77.4*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&TI,TI:*) 273.00 -256900+R*T*LN(8.6e-5); 6000.00 N Ref:41 ! $ interactions PARAMETER MQ(FCC_A1&TI,AL,NI:*;0) 273.00 -175000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&TI,AL,TI:*;0) 273.00 +275000; 6000.00 N Ref:pov13 ! PARAMETER MQ(FCC_A1&TI,NI,TI:*;0) 273.00 -68000; 6000.00 N Ref:20 ! $ ******************************************************************** $ V - Vanadium $ ******************************************************************** $ Default value: impurity diffusion of V in Fe. PARAMETER MQ(FCC_A1&V,*) 273.00 -QFE_FCC+R*T*LN(5.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for V diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&V,AL:*) 273.00 -302500+R*T*LN(1.6E0); 6000.00 N Ref:24 ! PARAMETER MQ(FCC_A1&V,CR:*) 273.00 -419000+R*T*LN(381E-4); 6000.00 N Ref:11 ! PARAMETER MQ(FCC_A1&V,FE:*) 273.00 -QFE_FCC +R*T*LN(5.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&V,NI:*) 273.00 -278400+R*T*LN(0.87E-4); 6000.00 N Ref:11 ! PARAMETER MQ(FCC_A1&V,V:*) 273.00 -334680+R*T*LN(0.288E-4); 6000.00 N Ref:11 ! $ ******************************************************************** $ W - Tungsten $ ******************************************************************** $ Default value: impurity diffusion of W in Fe. PARAMETER MQ(FCC_A1&W,*) 273.00 -QFE_FCC+R*T*LN(4.0*D0FE_FCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for W diffusion $ ------------------------------------- PARAMETER MQ(FCC_A1&W,FE:*) 273.00 -QFE_FCC +R*T*LN(4.0*D0FE_FCC); 6000.00 N Ref:31 ! PARAMETER MQ(FCC_A1&W,NI:*) 273.00 -282130-87.2*T; 6000.00 N Ref:20 ! PARAMETER MQ(FCC_A1&W,W:*) 273.00 -311423-70.05*T; 6000.00 N Ref:20 ! $ interaction PARAMETER MQ(FCC_A1&W,NI,W:*) 273.00 -97025; 6000.00 N Ref:20 ! $ ******************************************************************** $ Y - Yttrium $ ******************************************************************** $ Default value: assume same difference between impurity diffusion $ of Y in Fe and self diffusion of Fe as for bcc $ and higher activation energy. PARAMETER MQ(FCC_A1&Y,*) 273.00 -350000+R*T*LN(D0FE_FCC); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for Y diffusion $ ------------------------------------- $########################################################################## $ PHASE: B C C $########################################################################## $ ******************************************************************** $ AL - Aluminum $ ******************************************************************** $ Default value: Impurity diffusion of Al in bcc Fe. PARAMETER MQ(BCC_A2&AL,*) 273.00 -218000; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&AL,*) 273.00 +R*T*LN(40*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Al diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&AL,AL:*) 273.00 -215000; 6000.00 N Ref:23 ! PARAMETER MF(BCC_A2&AL,AL:*) 273.00 +R*T*LN(6.5E-5); 6000.00 N Ref:23 ! $ ******************************************************************** $ B - Boron $ ******************************************************************** $ Default value: Impurity diffusion of B in bcc Fe. PARAMETER MQ(BCC_A2&B,*) 273.00 -91000; 6000.00 N Ref:32 ! PARAMETER MF(BCC_A2&B,*) 273.00 +R*T*LN(0.00000019); 6000.00 N Ref:32 ! $ ------------------------------------- $ explicit parameters for B diffusion $ ------------------------------------- $ ******************************************************************** $ C - CARBON $ ******************************************************************** $ Default value: Impurity diffusion of C in bcc Fe. PARAMETER MQ(BCC_A2&C,*) 273.00 -63400; 6000.00 N Ref:15 ! PARAMETER MF(BCC_A2&C,*) 273.00 -120*T; 6000.00 N Ref:15 ! $ ------------------------------------- $ explicit parameters for C diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&C,CR:*) 273.00 -110000; 6000.00 N Ref:15 ! PARAMETER MF(BCC_A2&C,CR:*) 273.00 -120*T; 6000.00 N Ref:15 ! $ ******************************************************************** $ CO - Cobalt $ ******************************************************************** $ Default value: Impurity diffusion of Co in bcc Fe. PARAMETER MQ(BCC_A2&CO,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&CO,*) 273.00 +R*T*LN(0.5*D0FE_BCC); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for CO diffusion $ ------------------------------------- $ ******************************************************************** $ CR - Chromium $ ******************************************************************** $ Default value: Impurity diffusion of Cr in bcc Fe. PARAMETER MQ(BCC_A2&CR,*) 273.00 -218000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,*) 273.00 +R*T*LN(8.5E-5); 6000.00 N Ref:14 ! $ ------------------------------------- $ explicit parameters for Cr diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&CR,CR:*) 273.00 -407000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR:*) 273.00 -35.6*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,MO:*) 273.00 -289338; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&CR,MO:*) 273.00 -107.8*T; 6000.00 N Ref:43 ! PARAMETER MQ(BCC_A2&CR,V:*) 273.00 -270500; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&CR,V:*) 273.00 -115.26*T; 6000.00 N Ref:40 ! $ interactions PARAMETER MQ(BCC_A2&CR,CR,FE:*;0) 273.00 +361000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR,FE:*;0) 273.00 -116*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,CR,FE:*;1) 273.00 +2820; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR,FE:*;1) 273.00 +37.5*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,CR,NI:*;0) 273.00 +350000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,FE,NI:*;0) 273.00 +150000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,FE,NI:*;1) 273.00 +150000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,FE,NI:*;1) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,CR,FE,NI:*;1) 273.00 -2400000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR,FE,NI:*;1) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&CR,CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&CR,CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! $ ******************************************************************** $ CU - Copper $ ******************************************************************** $ Default value: Impurity diffusion of Cu in bcc Fe. PARAMETER MQ(BCC_A2&CU,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&CU,*) 273.00 +R*T*LN(2.0*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Cu diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&CU,CU:*) 273.00 -151800; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&CU,CU:*) 273.00 -79*T; 6000.00 N Ref:45 ! $ interactions PARAMETER MQ(BCC_A2&CU,CU,FE:*;0) 273.00 -191623.11; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&CU,CU,FE:*;0) 273.00 +1e-8; 6000.00 N Ref:45 ! $ ******************************************************************** $ FE - Iron $ ******************************************************************** $ Default value: bcc Fe self diffusion PARAMETER MQ(BCC_A2&FE,*) 273.00 -218000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,*) 273.00 +R*T*LN(4.6E-5); 6000.00 N Ref:14 ! $ ------------------------------------- $ explicit parameters for Fe diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&FE,CR:*) 273.00 -407000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR:*) 273.00 -17.2*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,CU:*) 273.00 -151800; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&FE,CU:*) 273.00 -79*T; 6000.00 N Ref:45 ! PARAMETER MQ(BCC_A2&FE,MO:*) 273.00 -347797; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&FE,MO:*) 273.00 -91.614*T; 6000.00 N Ref:43 ! PARAMETER MQ(BCC_A2&FE,SI:*) 273.00 -67735.82; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&FE,SI:*) 273.00 -91.82*T; 6000.00 N Ref:45 ! PARAMETER MQ(BCC_A2&FE,TI:*) 273.00 -132758; 6000.00 N Ref:42 ! PARAMETER MF(BCC_A2&FE,TI:*) 273.00 -116.82*T; 6000.00 N Ref:42 ! PARAMETER MQ(BCC_A2&FE,V:*) 273.00 -315361; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&FE,V:*) 273.00 -70.343*T; 6000.00 N Ref:40 ! $ interactions PARAMETER MQ(BCC_A2&FE,CR,FE:*;0) 273.00 +267000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR,FE:*;0) 273.00 -117*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,CR,FE:*;1) 273.00 -416000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR,FE:*;1) 273.00 +348*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,CR,NI:*;0) 273.00 +350000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,FE,MO:*;0) 273.00 +112767; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&FE,FE,MO:*;0) 273.00 +37.942*T; 6000.00 N Ref:43 ! PARAMETER MQ(BCC_A2&FE,FE,NI:*;0) 273.00 +150000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,FE,SI:*;0) 273.00 -104880.52; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&FE,FE,SI:*;0) 273.00 +81.18*T; 6000.00 N Ref:45 ! PARAMETER MQ(BCC_A2&FE,FE,TI:*;0) 273.00 -146360; 6000.00 N Ref:42 ! PARAMETER MF(BCC_A2&FE,FE,TI:*;0) 273.00 +159.56*T; 6000.00 N Ref:42 ! PARAMETER MQ(BCC_A2&FE,FE,TI:*;1) 273.00 +713717; 6000.00 N Ref:42 ! PARAMETER MF(BCC_A2&FE,FE,TI:*;1) 273.00 -415.49*T; 6000.00 N Ref:42 ! PARAMETER MQ(BCC_A2&FE,V,FE:*;0) 273.00 +112059; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&FE,V,FE:*;0) 273.00 +1e-8; 6000.00 N Ref:40 ! PARAMETER MQ(BCC_A2&FE,CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,CR,FE,NI:*;1) 273.00 +1400000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR,FE,NI:*;1) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&FE,CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&FE,CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! $ ******************************************************************** $ H - Hydrogen $ ******************************************************************** $ Default value: Impurity diffusion of H in Fe. PARAMETER MQ(BCC_A2&H,*) 273.00 -QHFE; 6000.00 N Ref:50 ! PARAMETER MF(BCC_A2&H,*) 273.00 +R*T*LN(DHFE); 6000.00 N Ref:50 ! $ ------------------------------------- $ explicit parameters for H diffusion $ ------------------------------------- $ ******************************************************************** $ HF - Hafnium $ ******************************************************************** $ Default value: Impurity diffusion of Hf in Fe. PARAMETER MQ(BCC_A2&HF,*) 273.00 -290420; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&HF,*) 273.00 +R*T*LN(1.31e-4); 6000.00 N Ref:43 ! $ ------------------------------------- $ explicit parameters for Hf diffusion $ ------------------------------------- $ ******************************************************************** $ LA - Lanthanum $ ******************************************************************** $ Default value: assume same impurity diffusion as Y in bcc Fe. PARAMETER MQ(BCC_A2&LA,*) 273.00 -265000; 6000.00 N Ref:pov12 ! PARAMETER MF(BCC_A2&LA,*) 273.00 +R*T*LN(5e-6); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for LA diffusion $ ------------------------------------- $ ******************************************************************** $ MN - Manganese $ ******************************************************************** $ Default value: Impurity diffusion of Mn in bcc Fe. PARAMETER MQ(BCC_A2&MN,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&MN,*) 273.00 +R*T*LN(2.0*D0FE_BCC); 6000.00 N Ref:31 ! $ ******************************************************************** $ MO - Molybdenum $ ******************************************************************** $ Default value: Impurity diffusion of Mo in bcc Fe. PARAMETER MQ(BCC_A2&MO,*) 273.00 -QFE_BCC; 6000.00 N Ref:35 ! PARAMETER MF(BCC_A2&MO,*) 273.00 +R*T*LN(1.5*D0FE_BCC); 6000.00 N Ref:35 ! $ ------------------------------------- $ explicit parameters for MO diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&MO,CR:*) 273.00 -242625; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&MO,CR:*) 273.00 -125.8*T; 6000.00 N Ref:43 ! PARAMETER MQ(BCC_A2&MO,MO:*) 273.00 -491311; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&MO,MO:*) 273.00 -58.707*T; 6000.00 N Ref:43 ! $ interactions PARAMETER MQ(BCC_A2&MO,CR,FE:*;0) 273.00 +161371; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&MO,CR,FE:*;0) 273.00 +1e-8; 6000.00 N Ref:43 ! PARAMETER MQ(BCC_A2&MO,FE,MO:*;0) 273.00 +272835; 6000.00 N Ref:43 ! PARAMETER MF(BCC_A2&MO,FE,MO:*;0) 273.00 -306.487*T; 6000.00 N Ref:43 ! $ ******************************************************************** $ N - Nitrogen $ ******************************************************************** $ Default value: Impurity diffusion of N in bcc Fe. PARAMETER MQ(BCC_A2&N,*) 273.00 -70300; 6000.00 N Ref:15 ! PARAMETER MF(BCC_A2&N,*) 273.00 -122*T; 6000.00 N Ref:15 ! $ ------------------------------------- $ explicit parameters for N diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&N,CR:*) 273.00 -111000; 6000.00 N Ref:15 ! PARAMETER MF(BCC_A2&N,CR:*) 273.00 -120*T; 6000.00 N Ref:15 ! $ ******************************************************************** $ NB - Niobium $ ******************************************************************** $ Default value: Impurity diffusion of Nb in bcc Fe. PARAMETER MQ(BCC_A2&NB,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&NB,*) 273.00 +R*T*LN(2.0*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Nb diffusion $ ------------------------------------- $ ******************************************************************** $ NI - Nickel $ ******************************************************************** $ Default value: Impurity diffusion of Ni in bcc Fe. PARAMETER MQ(BCC_A2&NI,*) 273.00 -204000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,*) 273.00 +R*T*LN(1.8E-5); 6000.00 N Ref:14 ! $ ------------------------------------- $ explicit parameters for Ni diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&NI,CR:*) 273.00 -407000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,CR:*) 273.00 -17.2*T; 6000.00 N Ref:14 ! $ interactions PARAMETER MQ(BCC_A2&NI,CR,FE:*;0) 273.00 +88000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,CR,FE:*;0) 273.00 +10*T; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&NI,CR,NI:*;0) 273.00 +350000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,CR,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&NI,FE,NI:*;0) 273.00 +150000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&NI,CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,CR,FE,NI:*;0) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&NI,CR,FE,NI:*;1) 273.00 -500000; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,CR,FE,NI:*;1) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MQ(BCC_A2&NI,CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! PARAMETER MF(BCC_A2&NI,CR,FE,NI:*;2) 273.00 +1e-8; 6000.00 N Ref:14 ! $ ******************************************************************** $ O - OXYGEN $ ******************************************************************** $ Default value: Impurity diffusion of O in Fe. PARAMETER MQ(BCC_A2&O,*) 273.00 -167500; 6000.00 N Ref:pov12 ! PARAMETER MF(BCC_A2&O,*) 273.00 273.00 +R*T*LN(3.5E-4); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for O diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&O,CR:*) 273.00 -155000; 6000.00 N Ref:36 ! PARAMETER MF(BCC_A2&O,CR:*) 273.00 +R*T*LN(5e-8); 6000.00 N Ref:36 ! PARAMETER MQ(BCC_A2&O,MO:*) 273.00 -130000; 6000.00 N Ref:36 ! PARAMETER MF(BCC_A2&O,MO:*) 273.00 +R*T*LN(3e-6); 6000.00 N Ref:36 ! PARAMETER MQ(BCC_A2&O,NB:*) 273.00 -109000; 6000.00 N Ref:pov12 ! PARAMETER MF(BCC_A2&O,NB:*) 273.00 +R*T*LN(5.7e-7); 6000.00 N Ref:pov12 ! PARAMETER MQ(BCC_A2&O,V:*) 273.00 -124000; 6000.00 N Ref:pov12 ! PARAMETER MF(BCC_A2&O,V:*) 273.00 +R*T*LN(2.6e-6); 6000.00 N Ref:pov12 ! PARAMETER MQ(BCC_A2&O,W:*) 273.00 -100500; 6000.00 N Ref:36 ! PARAMETER MF(BCC_A2&O,W:*) 273.00 +R*T*LN(1.3e-8); 6000.00 N Ref:36 ! $ ******************************************************************** $ P - Phosphorus $ ******************************************************************** $ Default value: Impurity diffusion of P in bcc Fe. PARAMETER MQ(BCC_A2&P,*) 273.00 -200000; 6000.00 N Ref:koz16 ! PARAMETER MF(BCC_A2&P,*) 273.00 +R*T*LN(2.5e-5); 6000.00 N Ref:koz16 ! $ ------------------------------------- $ explicit parameters for P diffusion $ ------------------------------------- $ ******************************************************************** $ PD - Palladium $ ******************************************************************** $ Default value: assumed impurity diffusion in Fe. PARAMETER MQ(BCC_A2&PD,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&PD,*) 273.00 +R*T*LN(1*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for PD diffusion $ ------------------------------------- $ ******************************************************************** $ S - Sulfur $ ******************************************************************** $ Default value: Impurity diffusion of S in bcc Fe. PARAMETER MQ(BCC_A2&S,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&S,*) 273.00 +R*T*LN(40*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for S diffusion $ ------------------------------------- $ ******************************************************************** $ SI - Silicon $ ******************************************************************** $ Default value: Impurity diffusion of Si in bcc Fe. PARAMETER MQ(BCC_A2&SI,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&SI,*) 273.00 +R*T*LN(7.0*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for Si diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&SI,SI:*) 273.00 -67735.82; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&SI,SI:*) 273.00 -91.82*T; 6000.00 N Ref:45 ! $ interactions PARAMETER MQ(BCC_A2&SI,FE,SI:*;0) 273.00 -387744.92; 6000.00 N Ref:45 ! PARAMETER MF(BCC_A2&SI,FE,SI:*;0) 273.00 +125.7*T; 6000.00 N Ref:45 ! $ ******************************************************************** $ TI - Titanium $ ******************************************************************** $ Default value: Impurity diffusion of Ti in bcc Fe. PARAMETER MQ(BCC_A2&TI,*) 273.00 -QFE_BCC; 6000.00 N Ref:35 ! PARAMETER MF(BCC_A2&TI,*) 273.00 +R*T*LN(6.0*D0FE_BCC); 6000.00 N Ref:35 ! $ ------------------------------------- $ explicit parameters for Ti diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&TI,TI:*) 273.00 -147686+22.28*T; 6000.00 N Ref:42 ! PARAMETER MF(BCC_A2&TI,TI:*) 273.00 -151*T; 6000.00 N Ref:42 ! $ interactions PARAMETER MQ(BCC_A2&TI,FE,TI:*;0) 273.00 -250000; 6000.00 N Ref:pov14 ! PARAMETER MF(BCC_A2&TI,FE,TI:*;0) 273.00 +1e-8; 6000.00 N Ref:pov14 ! $ ******************************************************************** $ V - Vanadium $ ******************************************************************** $ Default value: Impurity diffusion of V in bcc Fe. PARAMETER MQ(BCC_A2&V,*) 273.00 -QFE_BCC; 6000.00 N Ref:31 ! PARAMETER MF(BCC_A2&V,*) 273.00 +R*T*LN(3.0*D0FE_BCC); 6000.00 N Ref:31 ! $ ------------------------------------- $ explicit parameters for V diffusion $ ------------------------------------- PARAMETER MQ(BCC_A2&V,CR:*) 273.00 -418826; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&V,CR:*) 273.00 -27.246*T; 6000.00 N Ref:40 ! PARAMETER MQ(BCC_A2&V,V:*) 273.00 -308051; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&V,V:*) 273.00 -87.386*T; 6000.00 N Ref:40 ! $ interactions PARAMETER MQ(BCC_A2&V,CR,FE:*;0) 273.00 +262769; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&V,CR,FE:*;0) 273.00 -117.559*T; 6000.00 N Ref:40 ! PARAMETER MQ(BCC_A2&V,V,FE:*;0) 273.00 +74193; 6000.00 N Ref:40 ! PARAMETER MF(BCC_A2&V,V,FE:*;0) 273.00 +1e-8; 6000.00 N Ref:40 ! $ ******************************************************************** $ W - Tungsten $ ******************************************************************** $ Default value: Impurity diffusion of W in bcc Fe. PARAMETER MQ(BCC_A2&W,*) 273.00 -QFE_BCC; 6000.00 N Ref:35 ! PARAMETER MF(BCC_A2&W,*) 273.00 +R*T*LN(1.0*D0FE_BCC); 6000.00 N Ref:35 ! $ ------------------------------------- $ explicit parameters for W diffusion $ ------------------------------------- $ ******************************************************************** $ Y - Yttrium $ ******************************************************************** $ Default value: Impurity diffusion of Y in bcc Fe. PARAMETER MQ(BCC_A2&Y,*) 273.00 -265000; 6000.00 N Ref:pov12 ! PARAMETER MF(BCC_A2&Y,*) 273.00 +R*T*LN(5e-6); 6000.00 N Ref:pov12 ! $ ------------------------------------- $ explicit parameters for Y diffusion $ ------------------------------------- $########################################################################## $ PHASE: H _ B C C $########################################################################## $ ******************************************************************** $ FE - Iron $ ******************************************************************** $ Default value: bcc Fe self diffusion PARAMETER MQ(H_BCC&FE,*) 273.00 -218000; 6000.00 N Ref:14 ! PARAMETER MF(H_BCC&FE,*) 273.00 +R*T*LN(4.6E-5); 6000.00 N Ref:14 ! $ ******************************************************************** $ H - Hydrogen $ ******************************************************************** $ Default value: Impurity diffusion of H in Fe. PARAMETER MQ(H_BCC&H,*) 273.00 -QHFE; 6000.00 N Ref:50 ! 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