$****************************************************************************** $ ------------------------------Fe-Si-Zn TDB -------------------------------- $----------------------Made by Sha Chunsheng----------------------------------- $****************************************************************************** $ ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00! ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00! ELEMENT FE BCC_A2 5.5847E+01 4.4890E+03 2.7280E+01! ELEMENT ZN HCP_A3 6.5380E+01 5.6567E+03 4.1631E+01! ELEMENT SI DIAMOND_A4 2.8085E+01 3.2175E+03 1.8820E+01 ! $ $ $-------------------------Fe------------------------------------------------ FUNCTION GHSERFE 2.98140E+02 +1225.7+124.134*T-23.5143*T*LN(T) -.00439752*T**2-5.8927E-08*T**3+77359*T**(-1); 1.81100E+03 Y -25383.581+299.31255*T-46*T*LN(T)+2.29603E+31*T**(-9); 6000 N ! FUNCTION GLIQFE 2.98140E+02 +12040.17-6.55843*T+GHSERFE# -3.67516E-21*T**7; 1.81100E+03 Y -10838.83+291.302*T-46*T*LN(T); 6000 N ! FUNCTION GFCCFE 2.98140E+02 -1462.4+8.282*T-1.15*T*LN(T)+6.4E-04*T**2 +GHSERFE#; 1.81100E+03 Y -27098.266+300.25256*T-46*T*LN(T)+2.78854E+31*T**(-9); 6000 N ! FUNCTION GHCPFE 2.98140E+02 -3705.78+12.591*T-1.15*T*LN(T) +6.4E-04*T**2+GHSERFE#; 1.81100E+03 Y -3957.199+5.24951*T+4.925095E+30*T**(-9)+GHSERFE#; 6000 N ! $ $--------------------------Zn------------------------------------------------ FUNCTION GHSERZN 2.98140E+02 -7285.787+118.470069*T-23.701314*T*LN(T) -.001712034*T**2-1.264963E-06*T**3; 6.92680E+02 Y -11070.559+172.34566*T-31.38*T*LN(T)+4.70514E+26*T**(-9); 1.70000E+03 N ! FUNCTION GLIQZN 2.98140E+02 -128.574+108.177079*T-23.701314*T*LN(T) -.001712034*T**2-1.264963E-06*T**3-3.58958E-19*T**7; 6.92680E+02 Y -3620.391+161.608594*T-31.38*T*LN(T); 1.70000E+03 N ! FUNCTION GBCCZN 298.15 +2886.96-2.5104*T+GHSERZN#; 6000.0 N ! FUNCTION GFCCZN 298.15 +2969.82-1.56968*T+GHSERZN#; 6000.0 N ! FUNCTION GHCPZN 298.15 +2970-1.57*T+GHSERZN#; 6000.0 N ! FUNCTION UN_ASS 2.98140E+02 0.0; 3.00000E+02 N ! $ $----------------Si--------------------------------------------------------- FUNCTION GHSERSI 298.15 -8162.609+137.236859*T-22.8317533*T*LN(T) -.001912904*T**2-3.552E-09*T**3+176667*T**(-1); 1.68700E+03 Y -9457.642+167.281367*T-27.196*T*LN(T)-4.20369E+30*T**(-9); 3.60000E+03 N ! FUNCTION GBCCSI 298.15 47000-22.5*T+GHSERSI; 3600 N ! FUNCTION GFCCSI 298.15 51000-21.8*T+GHSERSI; 3600 N ! FUNCTION GLIQSI 298.15 42533.751+107.13742*T-22.8317533*T*LN(T) -1.912904E-3*T**2-0.003552E-6*T**3+176667*T**(-1) +2.0931E-21*T**7; 1687.0 Y 40370.523+137.722298*T-27.196*T*LN(T); 3600.0 N ! FUNCTION GHCPSI 298.15 49200-20.8*T+GHSERSI; 3600.0 N ! $ $ Fe-Si-------------------------------------------------------------------- FUNCTION FSL0BCC 298.15 -27809+11.62*T; 6000 N ! FUNCTION FESIW1 298.15 1260*R; 6000 N ! FUNCTION FSL1BCC 298.15 -11544; 6000 N ! FUNCTION FSL2BCC 298.15 3890; 6000 N ! FUNCTION ETCFESI 298.15 63; 6000 N ! FUNCTION U1FESI 298.15 0.0; 6000 N ! FUNCTION U3FESI 298.15 0.0; 6000 N ! FUNCTION U4FESI 298.15 0.0; 6000 N ! FUNCTION L04FESI 298.15 U3FESI; 6000 N ! FUNCTION L14FESI 298.15 U4FESI; 6000 N ! FUNCTION FESI3 298.15 3*U1FESI; 6000 N ! FUNCTION FE2SI2 298.15 4*U1FESI; 6000 N ! FUNCTION FE3SI 298.15 3*U1FESI; 6000 N ! FUNCTION GB2ZNVA 2.98150E+02 25222.7027; 6.00000E+03 N ! FUNCTION LB2ZNVA 2.98150E+02 -2257.4895; 6.00000E+03 N ! $$------------------------------------------------------------------------- TYPE_DEFINITION % SEQ *! DEFINE_SYSTEM_DEFAULT SPECIE 3 ! DEFAULT_COMMAND DEF_SYS_ELEMENT VA ! $---------------------------------------------------------------------------- $-------------------------------BINARY SYSTEM-------------------------------- $---------------------------------------------------------------------------- $Fe-Si $-------------------------------FESI---------------------------------------- PHASE FESI % 2 1 1 ! CONSTITUENT FESI :FE:SI: ! PARAM G(FESI,FE:SI;0) 298.15 -72761.2+4.44*T+GHSERFE +GHSERSI#; 6000.0 N ! $-------------------------------FE2SI---------------------------------------- PHASE FE2SI % 2 2 1 ! CONSTITUENT FE2SI :FE:SI: ! PARAM G(FE2SI,FE:SI;0) 298.15 -71256.6-10.62*T+2*GHSERFE +GHSERSI#; 6000.0 N ! $-------------------------------FE3SI7---------------------------------------- PHASE FESI2_H % 2 3 7 ! CONSTITUENT FESI2_H :FE : SI : ! PARAM G(FESI2_H,FE:SI;0) 298.15 -196490-9.2*T+3*GHSERFE +7*GHSERSI#; 6000.0 N ! $-------------------------------FESI2---------------------------------------- PHASE FESI2_L % 2 1 2 ! CONSTITUENT FESI2_L :FE:SI: ! PARAM G(FESI2_L,FE:SI;0) 298.15 -82149+10.44*T+GHSERFE +2*GHSERSI#; 6000.0 N ! $-------------------------------FE5SI3---------------------------------------- PHASE FE5SI3 % 2 5 3 ! CONSTITUENT FE5SI3 :FE : SI% : ! PARAMETER G(FE5SI3,FE:SI;0) 2.98150E+02 -241144+2.16*T+5*GHSERFE# +3*GHSERSI#; 6.00000E+03 N REF: 0 ! $$-----------------------------DIAMOND_A4------------------------------------ PHASE DIAMOND_A4 % 1 1.0 ! CONSTITUENT DIAMOND_A4 :SI%,ZN : ! PARAM G(DIAMOND_A4,SI;0) 298.15 +GHSERSI#; 6000 N ! PARAM G(DIAMOND_A4,ZN;0) 298.15 +30*T+GHSERZN#; 6000 N ! PARAM G(DIAMOND_A4,SI,ZN;0) 298.15 +100*T; 6000 N ! $---------------------------------- PHASE------------------------------------- $$----------------------------ÈýÔª²ÎÊý---------------------------------------- $$-------------------------solution phase------------------------------------- $-------------------------------LIQUID---------------------------------------- PHASE LIQUID % 1 1.0 ! CONSTITUENT LIQUID :FE,SI,ZN : ! PARAM G(LIQUID,SI;0) 298.15 +50696.4-30.0994*T +2.09307E-21*T**7+GHSERSI#; 1.68700E+03 Y +49828.2-29.5591*T+4.20369E+30*T**(-9)+GHSERSI#; 6000 N ! PARAMETER G(LIQUID,FE;0) 298.15 +GLIQFE#; 6000 N ! PARAMETER G(LIQUID,ZN;0) 298.15 +GLIQZN#; 6000 N ! PARAM G(LIQUID,FE,SI;0) 298.15 -164434.6+41.9773*T; 6000 N ! PARAM G(LIQUID,FE,SI;1) 298.15 -21.523*T; 6000 N ! PARAM G(LIQUID,FE,SI;2) 298.15 -18821.542+22.07*T; 6000 N ! PARAM G(LIQUID,FE,SI;3) 298.15 9695.8; 6000 N ! PARAMETER G(LIQUID,FE,ZN;0) 298.15 20696.507; 6000 N ! PARAMETER G(LIQUID,FE,ZN;1) 298.15 14782.019-8.9767560*T; 6000 N ! PARAMETER G(LIQUID,FE,ZN;2) 298.15 -11266.699+7.3942419*T; 6000 N ! PARAM G(LIQUID,SI,ZN;0) 298.15 7829.25; 6000 N ! PARAM G(LIQUID,SI,ZN;1) 298.15 -3338.18; 6000 N ! PARAM G(LIQUID,SI,ZN;2) 298.15 -891.33; 6000 N ! $ $-------------------------------DELTA --------------------------------------- PHASE DELTA % 4 .058 .18 .525 .237 ! CONSTITUENT DELTA :FE:FE,SI,ZN:ZN:ZN: ! PARAMETER G(DELTA,FE:FE:ZN:ZN;0) 298.15 -2658.8743+.238*GHSERFE# +.762*GHSERZN#; 6000 N ! PARAMETER G(DELTA,FE:ZN:ZN:ZN;0) 298.15 -2098.9962+.058*GHSERFE# +.942*GHSERZN#; 6000 N ! PARAMETER G(DELTA,FE:Si:ZN:ZN;0) 298.15 5.31873926E+04-1.06072226E+01*T +.058*GHSERFE#+0.762*GHSERZN#+0.18*GHSERSI#; 6000 N ! PARAMETER G(DELTA,FE:FE,ZN:ZN:ZN;0) 298.15 -6566.3394+5.1380630*T; 6000 N ! PARAMETER G(DELTA,FE:SI,ZN:ZN:ZN;0) 298.15 -6.42289631E+04; 6000 N ! PARAMETER G(DELTA,FE:SI,ZN:ZN:ZN;1) 298.15 -2.16431529E+04; 6000 N ! PARAMETER G(DELTA,FE:FE,SI:ZN:ZN;0) 298.15 -8.38551154E+04; 6000 N ! PARAMETER G(DELTA,FE:FE,SI:ZN:ZN;1) 298.15 5.15912838E+04; 6000 N ! $ $--------------------------------FCC_A1--------------------------------------- TYPE_DEFINITION * GES A_P_D FCC_A1 MAGNETIC -3.0 2.80000E-01 ! PHASE FCC_A1 %* 2 1 1 ! CONSTITUENT FCC_A1 :FE%,SI,ZN : VA% : ! PARAMETER G(FCC_A1,FE:VA;0) 298.15 +GFCCFE#; 6000 N ! PARAMETER TC(FCC_A1,FE:VA;0) 298.15 -201; 6000 N ! PARAMETER BMAGN(FCC_A1,FE:VA;0) 298.15 -2.1; 6000 N ! PARAMETER G(FCC_A1,ZN:VA;0) 298.15 +GFCCZN#; 1700 N ! PARAMETER G(FCC_A1,FE,ZN:VA;0) 298.15 +11774.252+0.86683042*T; 6000 N ! PARAM G(FCC_A1,SI:VA;0) 298.15 +51000-21.8*T+GHSERSI#; 6000 N ! PARAM G(FCC_A1,FE,SI:VA;0) 298.15 -125247.7+41.166*T; 6000 N ! PARAM G(FCC_A1,FE,SI:VA;1) 298.15 -142707.6; 6000 N ! PARAM G(FCC_A1,FE,SI:VA;2) 298.15 +89907.3; 6000 N ! PARAM G(FCC_A1,SI,ZN:VA;0) 298.15 +80*T; 6000 N ! $ $ $ $ $----------------------------------GAMMA---------------------------------------- PHASE GAMMA % 4 .154 .154 .231 .461 ! CONSTITUENT GAMMA :FE,ZN : FE,ZN : FE,SI,ZN : ZN : ! PARAMETER G(GAMMA,FE:FE:FE:ZN;0) 298.15 +0.539*GHSERFE# +0.461*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,ZN:FE:FE:ZN;0) 298.15 +0.385*GHSERFE# +0.615*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,FE:ZN:FE:ZN;0) 298.15 -5883.5577+3.0932090*T +.385*GHSERFE#+.615*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,ZN:ZN:FE:ZN;0) 298.15 4689.6066+0.231*GHSERFE# +0.769*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,FE:FE:ZN:ZN;0) 298.15 +0.308*GHSERFE# +0.692*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,ZN:FE:ZN:ZN;0) 298.15 +.154*GHSERFE# +.846*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,FE:ZN:ZN:ZN;0) 298.15 -2661.6129+.154*GHSERFE# +.846*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,ZN:ZN:ZN:ZN;0) 298.15 +4830.0580-6.9361478*T +GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,ZN:ZN:SI:ZN;0) 298.15 5500+0.231*GHSERSI# +0.769*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA,FE:ZN:SI:ZN;0) 298.15 1.51413773E+04+0.231*GHSERSI# +0.615*GHSERZN#+0.154*GHSERFE#; 6000 N REF0 ! PARAMETER G(GAMMA,ZN:FE:SI:ZN;0) 298.15 -9.6413773E+03+0.231*GHSERSI# +0.615*GHSERZN#+0.154*GHSERFE#; 6000 N REF0 ! PARAMETER G(GAMMA,FE:FE:SI:ZN;0) 298.15 +0.231*GHSERSI# +0.461*GHSERZN#+0.308*GHSERFE#; 6000 N REF0 ! PARAMETER G(GAMMA,FE:ZN:FE,ZN:ZN;0) 298.15 -8619.0736+8.7278572*T; 6000 N REF0 ! PARAMETER G(GAMMA,FE:ZN:FE,SI:ZN;0) 298.15 -2.48492604E+04; 6000 N REF0 ! PARAMETER G(GAMMA,FE:ZN:SI,ZN:ZN;0) 298.15 -3.76311075E+04; 6000 N REF0 ! $ $------------------------------------GAMMA1----------------------------------- PHASE GAMMA1 % 3 .137 .118 .745 ! CONSTITUENT GAMMA1 :FE : FE,SI,ZN : ZN : ! PARAMETER G(GAMMA1,FE:FE:ZN;0) 298.15 -6804.9287+3.2481647*T +.255*GHSERFE#+.745*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA1,FE:ZN:ZN;0) 298.15 -3507.8523+.137*GHSERFE# +.863*GHSERZN#; 6000 N REF0 ! PARAMETER G(GAMMA1,FE:SI:ZN;0) 298.15 -8800+.137*GHSERFE# +.745*GHSERZN#+0.118*GHSERSI#; 6000 N REF0 ! PARAMETER G(GAMMA1,FE:FE,ZN:ZN;0) 298.15 -2448.0226+4.3133201*T; 6000 N REF0 ! $ $ $ $ $--------------------------------ZETA--------------------------------------- PHASE ZETA % 3 .072 .856 .072 ! CONSTITUENT ZETA :FE,VA : ZN : SI,VA,ZN : ! PARAMETER G(ZETA,FE:ZN:VA;0) 298.15 980.40464+.072*GHSERFE# +.856*GHSERZN#; 6000 N REF0 ! PARAMETER G(ZETA,FE:ZN:ZN;0) 298.15 -2722.7359+.072*GHSERFE# +.928*GHSERZN#; 6000 N REF0 ! PARAMETER G(ZETA,FE:ZN:SI;0) 298.15 -3200+.072*GHSERSI# +0.856*GHSERZN#+0.072*GHSERFE#; 6000 N REF0 ! PARAMETER G(ZETA,VA:ZN:VA;0) 298.15 81.080640+.856*GHSERZN#; 6000 N REF0 ! PARAMETER G(ZETA,VA:ZN:SI;0) 298.15 1700+.072*GHSERSI# +0.856*GHSERZN#; 6000 N REF0 ! PARAMETER G(ZETA,VA:ZN:ZN;0) 298.15 763.04277+.928*GHSERZN#; 6000 N REF0 ! $------------------------------------------------------------------------ $--------------------------------BCC_A2--------------------------------------- TYPE_DEFINITION & GES A_P_D BCC_A2 MAGNETIC -1.0 4.00000E-01 ! PHASE BCC_A2 %& 2 1 3 ! CONSTITUENT BCC_A2 :FE,SI,ZN,VA : VA : ! PARAMETER G(BCC_A2,FE:VA;0) 298.15 +GHSERFE#; 6000 N REF0 ! PARAMETER TC(BCC_A2,FE:VA;0) 298.15 1043; 6000 N REF0 ! PARAMETER BMAGN(BCC_A2,FE:VA;0) 298.15 2.22; 6000 N REF0 ! PARAMETER G(BCC_A2,ZN:VA;0) 298.15 +GBCCZN#; 6000 N REF0 ! PARAMETER G(BCC_A2,VA:VA;0) 298.15 0; 6000 N REF0 ! PARAMETER G(BCC_A2,FE,VA:VA;0) 298.15 150000; 6000 N REF0 ! PARAMETER G(BCC_A2,FE,ZN:VA;0) 298.15 -1684.7191+9.9210735*T; 6000 N REF0 ! PARAMETER G(BCC_A2,FE,ZN:VA;1) 298.15 8461.5520-5.6063704*T; 6000 N REF0 ! PARAMETER TC(BCC_A2,FE,ZN:VA;0) 298.15 5.0430000E+02; 6000 N REF0 ! PARAM G(BCC_A2,SI:VA;0) 298.15 +47000-22.5*T+GHSERSI#; 6000 N ! PARAM G(BCC_A2,SI,VA:VA;0) 298.15 60000; 6000 N ! PARAM G(BCC_A2,FE,SI:VA;0) 298.15 4*FSL0BCC-4*FESIW1; 6000 N ! PARAM G(BCC_A2,FE,SI:VA;1) 298.15 8*FSL1BCC; 6000 N ! PARAM G(BCC_A2,FE,SI:VA;2) 298.15 16*FSL2BCC; 6000 N ! PARAM TC(BCC_A2,FE,SI:VA;1) 298.15 8*ETCFESI; 6000 N ! PARAM G(BCC_A2,SI,ZN:VA;0) 298.15 +80*T; 6000 N ! PARAM G(BCC_A2,VA,ZN:VA;0) 298.15 +GB2ZNVA#+LB2ZNVA#; 6000 N REF0 ! PARAM G(BCC_A2,FE,SI,ZN:VA;0) 298.15 -170000; 6000 N ! $ $--------------------------------BCC_B2-------------------------------------- TYPE_DEFINITION ) GES A_P_D BCC_B2 DIS_PART BCC_A2,,,! TYPE_DEFINITION W IF (FE AND SI) THEN GES AMEND_PHASE_DESCR BCC_B2 COMP_SETS 2 FE:FE:VA ! TYPE_DEFINITION W IF (FE AND SI) THEN GES AMEND_PHASE_DESCR BCC_B2 MAJ 1 FE:FE:VA ! TYPE_DEFINITION W IF (FE AND SI) THEN GES AMEND_PHASE_DESCR BCC_B2 MAJ 2 FE:SI:VA ! PHASE BCC_B2 %)W 3 0.5 0.5 3 ! CONSTITUENT BCC_B2 :FE%,SI,ZN,VA : FE%,SI,ZN,VA : VA : ! PARA G(BCC_B2,SI:FE:VA;0) 298.15 -2*FESIW1#; 6000 N ! PARA G(BCC_B2,FE:SI:VA;0) 298.15 -2*FESIW1#; 6000 N ! PARA G(BCC_B2,SI:SI:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,VA:SI:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,VA:FE:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,ZN:VA:VA;0) 298.15 +0.5*GB2ZNVA#-0.5*LB2ZNVA#; 6000 N! PARA G(BCC_B2,VA:ZN:VA;0) 298.15 +0.5*GB2ZNVA#-0.5*LB2ZNVA#; 6000 N! PARA G(BCC_B2,VA:VA:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,SI:VA:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,FE:VA:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,ZN:SI:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,SI:ZN:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,ZN:ZN:VA;0) 298.15 0; 6000 N! pARA G(BCC_B2,FE:FE:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,ZN:FE:VA;0) 298.15 0; 6000 N! PARA G(BCC_B2,FE:ZN:VA;0) 298.15 0; 6000 N! $ $ $ $$------------------------------HCP_ZN---------------------------------------- PHASE HCP_ZN % 2 1 .5 ! CONSTITUENT HCP_ZN :FE,SI,ZN% : VA% : ! PARAM G(HCP_ZN,SI:VA;0) 298.15 +49201-20.8*T+GHSERSI; 6000 N ! PARAMETER G(HCP_ZN,ZN:VA;0) 298.15 +GHSERZN#; 6000 N REF0 ! PARAMETER G(HCP_ZN,FE:VA;0) 2.98140E+02 0; 6000 N REF0 ! PARAM G(HCP_ZN,SI,ZN:VA;0) 298.15 +80*T; 6000 N ! PARAM G(HCP_ZN,FE,ZN:VA;0) 298.15 23601.6208; 6000 N REF0 ! $----------------------------------------------------------------------- $$------------------------------HCP_A3-------------------------------------- TYPE_DEFINITION + GES A_P_D HCP_A3 MAGNETIC -3.0 2.80000E-01 ! PHASE HCP_A3 %+ 2 1 .5 ! CONSTITUENT HCP_A3 :FE,SI,ZN% : VA% : ! PARAM G(HCP_A3,ZN:VA;0) 298.15 2970-1.57*T+GHSERZN; 6000 N ! PARAM G(HCP_A3,SI:VA;0) 298.15 +49200-20.8*T+GHSERSI; 6000 N ! PARAM L(HCP_A3,FE,ZN:VA;0) 298.15 11774.2521+0.866830418*T; 6000 N ! PARAM L(HCP_A3,FE,SI:VA;0) 298.15 -123468+41.116*T; 6000 N ! PARAM L(HCP_A3,FE,SI:VA;1) 298.15 -142708; 6000 N ! PARAM L(HCP_A3,FE,SI:VA;2) 298.15 89907; 6000 N ! PARAM G(HCP_A3,SI,ZN:VA;0) 298.15 +80*T; 6000 N ! PARAM G(HCP_A3,FE:VA;0) 298.15 -3705.78+12.591*T-1.15*T*LN(T) +6.4E-04*T**2+GHSERFE#; 1.81100E+03 Y -3957.199+5.24951*T+4.9251E+30*T**(-9)+GHSERFE#; 6000 N ! $$$ DATABASE-INFO 'FOR THE fe-si-zn SYSTEM' ! $------------------------------------------------------------------------ $$$ DATABASE-INFO 'FOR THE fe-si-zn SYSTEM' !