$ Database file written 2005-10-21 $ From database: USER 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 NB BCC_A2 9.2906E+01 5.2200E+03 3.6270E+01! ELEMENT O O2_GAS 1.5999E+01 4.3410E+03 1.0252E+02! ELEMENT ZR HCP_A3 9.1224E+01 5.5663E+03 3.9181E+01! SPECIES NB+2 NB1/+2! SPECIES NB+4 NB1/+4! SPECIES NBO NB1O1! SPECIES NBO2 NB1O2! SPECIES NBO5/2 NB1O2.5! SPECIES O-2 O1/-2! SPECIES O1ZR1 O1ZR1! SPECIES O2 O2! SPECIES O3 O3! SPECIES VA-2 VA1/-2! SPECIES VA-4 VA1/-4! SPECIES ZR+4 ZR1/+4! SPECIES ZR2 ZR2! SPECIES ZRO2 O2ZR1! FUNCTION GO2GAS 2.98150E+02 -6961.74451-76729.7484*T**(-1) -51.0057202*T-22.2710136*T*LN(T)-.0101977469*T**2+1.32369208E-06*T**3; 1.00000E+03 Y -13137.5203+525809.556*T**(-1)+25.3200332*T-33.627603*T*LN(T) -.00119159274*T**2+1.35611111E-08*T**3; 3.30000E+03 Y -27973.4908+8766421.4*T**(-1)+62.5195726*T-37.9072074*T*LN(T) -8.50483772E-04*T**2+2.14409777E-08*T**3; 6.00000E+03 N ! FUNCTION GOSOL 2.98150E+02 +.5*GO2GAS#+65*T; 3.00000E+03 N ! FUNCTION F9878T 2.98150E+02 +211801.621+24.4989821*T-20.78611*T*LN(T); 6.00000E+03 N ! FUNCTION F10262T 2.98150E+02 -9522.9741+78.5273879*T-31.35707*T*LN(T) +.0027589925*T**2-7.46390667E-07*T**3+56582.3*T**(-1); 1.00000E+03 Y +180.108664-15.6128256*T-17.84857*T*LN(T)-.00584168*T**2 +3.14618667E-07*T**3-1280036*T**(-1); 2.10000E+03 Y -18840.1663+92.3120255*T-32.05082*T*LN(T)-.0010728235*T**2 +1.14281783E-08*T**3+3561002.5*T**(-1); 6.00000E+03 N ! FUNCTION GHSERHH 2.98150E+02 +.5*F10262T#; 6.00000E+03 N ! FUNCTION F14776T 2.98150E+02 +586876.841+74.4171195*T-38.69111*T*LN(T) +.01152846*T**2-1.693255E-06*T**3+270638.8*T**(-1); 7.00000E+02 Y +595990.293-26.0530509*T-24.06106*T*LN(T)+.001743641*T**2 -5.94312333E-07*T**3-748947.5*T**(-1); 1.30000E+03 Y +593841.673-46.0204551*T-20.46361*T*LN(T)-.002961084*T**2 +1.08391433E-07*T**3+526352.5*T**(-1); 2.70000E+03 Y +630745.052-161.965371*T-6.647343*T*LN(T)-.0046738955*T**2 +1.06833583E-07*T**3-15872340*T**(-1); 6.60000E+03 Y +504260.272+131.813821*T-40.68801*T*LN(T)-6.38357E-04*T**2 +1.79125333E-08*T**3+71496950*T**(-1); 1.00000E+04 N ! FUNCTION F14790T 2.98150E+02 +892794.963-14.4120751*T-37.13672*T*LN(T) -3.2039655E-04*T**2-4.30605167E-09*T**3+85422.15*T**(-1); 3.60000E+03 Y +874148.858+9.34917918*T-39.33356*T*LN(T)-.001019669*T**2 +6.09799667E-08*T**3+14065805*T**(-1); 6.00000E+03 N ! FUNCTION GHSERZR 1.30000E+02 -7827.595+125.64905*T-24.1618*T*LN(T) -.00437791*T**2+34971*T**(-1); 2.12800E+03 Y -26085.921+262.724183*T-42.144*T*LN(T)-1.342896E+31*T**(-9); 6.00000E+03 N ! FUNCTION GZRBCC 2.98150E+02 -525.539+124.9457*T-25.607406*T*LN(T) -3.40084E-04*T**2-9.729E-09*T**3+25233*T**(-1)-7.6143E-11*T**4; 2.12800E+03 Y -30705.955+264.284163*T-42.144*T*LN(T)+1.276058E+32*T**(-9); 6.00000E+03 N ! FUNCTION GZRLIQ 2.98150E+02 +10320.095+116.568238*T-24.1618*T*LN(T) -.00437791*T**2+34971*T**(-1)+1.6275E-22*T**7; 2.12800E+03 Y -8281.26+253.812609*T-42.144*T*LN(T); 6.00000E+03 N ! FUNCTION F10258T 2.98150E+02 +508873.032-56.3652522*T-23.04183*T*LN(T) -.01071154*T**2+1.4689955E-06*T**3-46462.485*T**(-1); 1.00000E+03 Y +500139.247+39.1135322*T-37.03719*T*LN(T)-3.8075865E-04*T**2 +2.06460167E-09*T**3+1021210*T**(-1); 6.00000E+03 N ! FUNCTION F12425T 2.98150E+02 +712766.598+48.6410598*T-35.6334*T*LN(T) +.0078268*T**2-9.99561333E-07*T**3+58000.7*T**(-1); 1.00000E+03 Y +718250.236-5.01491454*T-27.90045*T*LN(T)+.0026618495*T**2 -3.10671333E-07*T**3-710928.5*T**(-1); 2.80000E+03 Y +747948.465-181.458415*T-4.752182*T*LN(T)-.004599283*T**2 +9.27975E-08*T**3-6445975*T**(-1); 6.40000E+03 Y +744601.843-140.597978*T-9.951641*T*LN(T)-.0035367055*T**2 +6.06727333E-08*T**3-16843960*T**(-1); 1.00000E+04 N ! FUNCTION GHSERNB 2.98150E+02 -8519.353+142.045475*T-26.4711*T*LN(T) +2.03475E-04*T**2-3.5012E-07*T**3+93399*T**(-1); 2.75000E+03 Y -37669.3+271.720843*T-41.77*T*LN(T)+1.528238E+32*T**(-9); 6.00000E+03 N ! FUNCTION GHSEROO 2.98150E+02 -3480.87-25.503038*T-11.1355*T*LN(T) -.005098875*T**2+6.61845833E-07*T**3-38365*T**(-1); 1.00000E+03 Y -6568.763+12.659879*T-16.8138*T*LN(T)-5.957975E-04*T**2+6.781E-09*T**3 +262905*T**(-1); 3.30000E+03 Y -13986.728+31.259624*T-18.9536*T*LN(T)-4.25243E-04*T**2 +1.0721E-08*T**3+4383200*T**(-1); 6.00000E+03 N ! FUNCTION F12440T 2.98150E+02 +189929.973-57.5152038*T-26.20356*T*LN(T) -.01029724*T**2+1.79974833E-06*T**3+26457.525*T**(-1); 8.00000E+02 Y +183755.016+21.8170481*T-38.16645*T*LN(T)+4.095299E-04*T**2 -5.36172667E-08*T**3+650110*T**(-1); 2.80000E+03 Y +228848.86-135.468636*T-18.95687*T*LN(T)-.0030507635*T**2 +5.403705E-08*T**3-18542860*T**(-1); 6.00000E+03 N ! FUNCTION F12451T 2.98150E+02 -211739.603-48.8330406*T-30.95742*T*LN(T) -.02867295*T**2+5.98674667E-06*T**3+42180.995*T**(-1); 6.00000E+02 Y -221589.351+106.929062*T-55.30411*T*LN(T)-.001351704*T**2 +1.17730783E-07*T**3+804771.5*T**(-1); 1.80000E+03 Y -224255.604+127.550357*T-58.14923*T*LN(T)-7.5971E-06*T**2 +2.18181667E-10*T**3+1281120*T**(-1); 6.00000E+03 N ! FUNCTION F12437T 2.98140E+02 -434220.337+246.876204*T-42.99897*T*LN(T) -.0044367135*T**2+7.613485E-10*T**3+201346.65*T**(-1); 2.21000E+03 Y -456057.083+399.171599*T-62.76*T*LN(T); 6.00000E+03 N ! FUNCTION F12445T 2.98140E+02 -817191.531+381.593377*T-64.17126*T*LN(T) -9.08246E-04*T**2-4.022435E-06*T**3+418142.7*T**(-1); 7.00000E+02 Y -811038.971+277.505525*T-47.77082*T*LN(T)-.01985076*T**2; 1.00000E+03 Y -7995222.39+66544.4364*T-9449.355*T*LN(T)+5.400225*T**2 -5.80159E-04*T**3+1.0211785E+09*T**(-1); 1.30000E+03 Y -825146.769+515.555749*T-83.0524*T*LN(T); 2.17500E+03 Y -849262.299+611.84916*T-94.14*T*LN(T); 6.00000E+03 N ! FUNCTION F12460T 2.98140E+02 -1942063.25+674.379374*T-115.742*T*LN(T) -.0547895*T**2+8.24945333E-06*T**3+534527*T**(-1); 7.00000E+02 Y -1967843.43+1010.19042*T-166.3182*T*LN(T)-.010714595*T**2 +1.04697633E-06*T**3+2995953*T**(-1); 1.50000E+03 Y -1970867.16+1053.49937*T-172.7281*T*LN(T)-.006198805*T**2 +5.181745E-07*T**3+2995953*T**(-1); 1.78500E+03 Y -2077756.73+1625.45741*T-242.2536*T*LN(T); 6.00000E+03 N ! FUNCTION F12964T 2.98140E+02 +84650.2479-322.816859*T+21.98592*T*LN(T) -.10713165*T**2+2.81704E-05*T**3-333363.35*T**(-1); 5.00000E+02 Y +42648.3264+404.464721*T-93.37933*T*LN(T)+.03332466*T**2 -3.80849833E-06*T**3+2526299*T**(-1); 1.10000E+03 Y +84838.707+11.527709*T-37.46259*T*LN(T)+9.16682E-05*T**2 -7.005105E-08*T**3-3491878*T**(-1); 4.10000E+03 Y +106867.647-98.6658671*T-23.49987*T*LN(T)-.00315689*T**2 +5.93994E-08*T**3-6661880*T**(-1); 9.60000E+03 Y +255442.536-262.961955*T-6.281221*T*LN(T)-.0038787795*T**2 +6.18786667E-08*T**3-2.2466925E+08*T**(-1); 1.00000E+04 N ! FUNCTION G0HCP 2.98150E+02 -467447.03+79.3034*T; 6.00000E+03 N ! FUNCTION L0HCP 2.98150E+02 -56003.38+4.30692*T; 6.00000E+03 N ! FUNCTION L1HCP 2.98150E+02 -3982.58-1.94412*T; 6.00000E+03 N ! FUNCTION AU2 2.98150E+02 -11000; 6.00000E+03 N ! FUNCTION AU2V 298.15 0.0; 6000.00 N ! FUNCTION AU2DY 2.98150E+02 -2750; 6.00000E+03 N ! FUNCTION F7397T 2.98140E+02 +243206.529-42897.0876*T**(-1) -20.7513421*T-21.0155542*T*LN(T)+1.26870532E-04*T**2 -1.23131285E-08*T**3; 2.95000E+03 Y +252301.473-3973170.33*T**(-1)-51.974853*T-17.2118798*T*LN(T) -5.41356254E-04*T**2+7.64520703E-09*T**3; 6.00000E+03 N ! FUNCTION F7683T 2.98140E+02 +133772.042-11328.9959*T**(-1) -84.8602165*T-19.8314069*T*LN(T)-.0392015696*T**2+7.90727187E-06*T**3; 6.00000E+02 Y +120765.524+997137.156*T**(-1)+120.113376*T-51.8410152*T*LN(T) -.00353983136*T**2+3.20640143E-07*T**3; 1.50000E+03 Y +115412.196+1878139.02*T**(-1)+164.679664*T-58.069736*T*LN(T) -2.84399032E-04*T**2+5.95650279E-10*T**3; 6.00000E+03 N ! FUNCTION GZRGAS 2.98140E+02 +609741.683-5.65255703*T +32.7567902*T*LN(T)-.00516715599*T**2-371928.69*T**(-1) -4.3832838E-06*T**3; 6.00000E+02 Y +602118.465-33.8619633*T+35.1717911*T*LN(T)-.0192931797*T**2 -21833.24*T**(-1)+9.7504353E-06*T**3; 1.20000E+03 Y +600614.217+82.153204*T+12.2866497*T*LN(T)+.0120604597*T**2 +2942113*T**(-1)-1.914548E-06*T**3; 2.40000E+03 Y +567452.787+28.4532102*T+18.3152103*T*LN(T)+.00488632591*T**2 +9958631*T**(-1)-1.8344041E-07*T**3; 4.20000E+03 Y +525775.27+83.6688259*T+7.70688581*T*LN(T)+.00960336812*T**2 +18062870*T**(-1)-7.3121259E-07*T**3; 6.00000E+03 N ! FUNCTION F14423T 2.98150E+02 +299805.017-138.265505*T-2.769934*T*LN(T) -.025123235*T**2+2.91121E-06*T**3-225080.65*T**(-1); 5.00000E+02 Y +299818.158-153.051454*T+.006576569*T*LN(T)-.031759785*T**2 +5.12529167E-06*T**3-157706.25*T**(-1); 9.00000E+02 Y +259620.873+283.605387*T-63.72523*T*LN(T)+.0132323*T**2 -8.43548E-07*T**3+4603149.5*T**(-1); 2.00000E+03 Y +305551.58+10.5671679*T-27.57385*T*LN(T)+5.86253E-04*T**2 -1.41879667E-08*T**3-6339225*T**(-1); 6.60000E+03 Y +330332.682-10.4578956*T-25.61849*T*LN(T)+7.907715E-04*T**2 -2.626045E-08*T**3-39037215*T**(-1); 1.00000E+04 N ! FUNCTION F14441T 2.98150E+02 +415023.293-24.276484*T-36.02127*T*LN(T) -.005866135*T**2+7.95920667E-07*T**3-134064.05*T**(-1); 1.10000E+03 Y +418717.2-28.8639587*T-36.06067*T*LN(T)-.003023904*T**2 +1.82022167E-07*T**3-1196854*T**(-1); 3.00000E+03 Y +318814.516+319.93647*T-78.71578*T*LN(T)+.0048371295*T**2 -7.82327E-08*T**3+41752485*T**(-1); 6.00000E+03 N ! FUNCTION F12798T 2.98140E+02 +11476.6012-18.3661002*T-31.30909*T*LN(T) -.00526408*T**2+8.15663333E-07*T**3+100608.85*T**(-1); 9.00000E+02 Y +6624.42371+35.0080433*T-39.14951*T*LN(T)+6.65607E-04*T**2 -6.688285E-08*T**3+691051*T**(-1); 3.30000E+03 Y +37287.5486-.122580966*T-36.16144*T*LN(T)+.0022631595*T**2 -2.10390833E-07*T**3-21946355*T**(-1); 5.60000E+03 Y +839171.013-1966.22127*T+193.4373*T*LN(T)-.02698769*T**2 +4.88792333E-07*T**3-5.47959E+08*T**(-1); 6.00000E+03 N ! FUNCTION F13162T 2.98150E+02 -5629.61895+88.2543874*T-49.38036*T*LN(T) -.01144428*T**2+1.930165E-06*T**3+250871.75*T**(-1); 8.00000E+02 Y -12088.8009+172.92657*T-62.165*T*LN(T)-3.8982055E-05*T**2 +1.35514117E-09*T**3+873175.5*T**(-1); 6.00000E+03 N ! FUNCTION F13159T 2.98150E+02 -608087.742+474.985631*T-76.041*T*LN(T) -.003681085*T**2-1.28166667E-10*T**3+1111933.5*T**(-1); 1.90300E+03 Y -623956.627+597.135376*T-92*T*LN(T); 6.00000E+03 N ! FUNCTION F12795T 2.98150E+02 -294353.724+239.825132*T-43.7399*T*LN(T) -.006780115*T**2+1.76666667E-11*T**3-5*T**(-1); 1.25000E+03 Y -307834.997+379.476855*T-63*T*LN(T); 6.00000E+03 N ! TYPE_DEFINITION % SEQ *! DEFINE_SYSTEM_DEFAULT ELEMENT 2 ! DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- ! PHASE GAS:G % 1 1.0 ! CONSTITUENT GAS:G :NB,NBO,NBO2,O,O1ZR1,O2,O3,ZR,ZR2,ZRO2 : ! PARAMETER G(GAS,NB;0) 2.98150E+02 +F12425T#+RTLNP#; 6.00000E+03 N 98Ssu! PARAMETER G(GAS,NBO;0) 2.98150E+02 +F12440T#+RTLNP#; 6.00000E+03 N 98Ssu! PARAMETER G(GAS,NBO2;0) 2.98150E+02 +F12451T#+RTLNP#; 6.00000E+03 N 98Ssu! PARAMETER G(GAS,O;0) 2.98150E+02 +F7397T#+RTLNP#; 6.00000E+03 N 98Ssu ! PARAMETER G(GAS,O1ZR1;0) 2.98150E+02 +F12964T#+RTLNP#; 6.00000E+03 N 98Ssu ! PARAMETER G(GAS,O2;0) 2.98150E+02 +2*GHSEROO#+RTLNP#; 6.00000E+03 N 98Ssu ! PARAMETER G(GAS,O3;0) 2.98150E+02 +F7683T#+RTLNP#; 6.00000E+03 N 98Ssu ! PARAMETER G(GAS,ZR;0) 2.98150E+02 +F14776T#; 6.00000E+03 N 98Ssu ! PARAMETER G(GAS,ZR2;0) 2.98150E+02 +F14790T#; 6.00000E+03 N 98Ssu ! PARAMETER G(GAS,ZRO2;0) 2.98150E+02 -309376+43.133*T+GZRGAS#+2*GHSEROO# +RTLNP#; 6.00000E+03 N 98Ssu ! PHASE IONIC_LIQ:Y % 2 1 1 ! CONSTITUENT IONIC_LIQ:Y :NB+2,ZR+4 : O-2%,VA%,NBO2,NBO5/2,O : ! PARAMETER G(IONIC_LIQ,NB+2:O-2;0) 2.98150E+02 +2*F12437T#+310681.92 -135.66551*T; 6.00000E+03 99Dup ! PARAMETER G(IONIC_LIQ,ZR+4:O-2;0) 2.98150E+02 -1931250.3+272.52*T +2*GZRLIQ#+4*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(IONIC_LIQ,NB+2:VA;0) 2.98150E+02 +29781.555-10.816418*T -3.06098E-23*T**7+GHSERNB#; 2.75000E+03 Y +30169.902-10.964695*T-1.528238E+32*T**(-9)+GHSERNB#; 6.00000E+03 N 91Din ! PARAMETER G(IONIC_LIQ,ZR+4:VA;0) 2.98150E+02 +GZRLIQ#; 6.00000E+03 N 91Din ! PARAMETER G(IONIC_LIQ,NBO2;0) 2.98150E+02 +F12445T#+62301-16.9083*T; 6.00000E+03 N 99Dup ! PARAMETER G(IONIC_LIQ,NBO5/2;0) 2.98150E+02 +.5*F12460T#+19682.659-10*T; 6.00000E+03 N 99Dup ! PARAMETER G(IONIC_LIQ,O;0) 2.98150E+02 -2648+31.44*T+GHSEROO#; 6.00000E+03 N 98Ssu ! PARAMETER G(IONIC_LIQ,NB+2:O-2,VA;0) 2.98150E+02 56277.338; 6.00000E+03 N 99Dup! PARAMETER G(IONIC_LIQ,ZR+4:O-2,VA;0) 2.98150E+02 +424351.51-215.70189*T; 6.00000E+03 N 96Lia ! PARAMETER G(IONIC_LIQ,ZR+4:O-2,VA;1) 2.98150E+02 +211955.21-77.30708*T; 6.00000E+03 N 96Lia ! PARAMETER G(IONIC_LIQ,ZR+4:O-2,O;0) 2.98150E+02 50000; 6.00000E+03 N 96Lia ! PARAMETER G(IONIC_LIQ,NB+2,ZR+4:VA;0) 2.98150E+02 10311; 6.00000E+03 N 91Fer ! PARAMETER G(IONIC_LIQ,NB+2,ZR+4:VA;1) 2.98150E+02 6709; 6.00000E+03 N 91Fer ! TYPE_DEFINITION & GES A_P_D BCC_A2 MAGNETIC -1.0 4.00000E-01 ! PHASE BCC_A2 %& 2 1 3 ! CONSTITUENT BCC_A2 :NB,ZR : O,VA% : ! PARAMETER G(BCC_A2,NB:O;0) 2.98150E+02 +F12460T#-F12445T#+250000; 6.00000E+03 N REF0 ! PARAMETER G(BCC_A2,ZR:O;0) 2.98150E+02 +400000+GZRBCC#+3*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(BCC_A2,NB:VA;0) 2.98150E+02 +GHSERNB#; 6.00000E+03 N 91Din ! PARAMETER G(BCC_A2,ZR:VA;0) 2.98150E+02 +GZRBCC#; 6.00000E+03 N 91Din ! PARAMETER G(BCC_A2,NB:O,VA;0) 2.98150E+02 -670149+76.4*T; 6.00000E+03 N 99Dup ! PARAMETER G(BCC_A2,NB:O,VA;1) 2.98150E+02 -354266; 6.00000E+03 N 99Dup! PARAMETER G(BCC_A2,ZR:O,VA;0) 2.98150E+02 -2639295.07+280.8704*T; 6.00000E+03 N REF0 ! PARAMETER G(BCC_A2,ZR:O,VA;1) 2.98150E+02 -578130; 6.00000E+03 N REF0 ! PARAMETER G(BCC_A2,NB,ZR:VA;0) 2.98150E+02 +15911+3.35*T; 6.00000E+03 N 91Fer ! PARAMETER G(BCC_A2,NB,ZR:VA;1) 2.98150E+02 +3919-1.091*T; 6.00000E+03 N 91Fer ! PHASE HCP_3ORD % 4 3 1 1 1 ! CONSTITUENT HCP_3ORD :ZR : O%,VA : O,VA% : O,VA : ! PARAMETER G(HCP_3ORD,ZR:O:O:O;0) 2.98150E+02 +3*G0HCP#+3*GHSERZR# +3*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:O:O;0) 2.98150E+02 +2*G0HCP#+2*L0HCP# +2*L1HCP#+AU2#-2*AU2V#+AU2DY#+3*GHSERZR#+2*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:VA:O;0) 2.98150E+02 +2*G0HCP#+2*L0HCP# +2*L1HCP#+AU2#-2*AU2V#+AU2DY#+3*GHSERZR#+2*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:VA:O;0) 2.98150E+02 +G0HCP#+2*L0HCP# -2*L1HCP#+3*GHSERZR#+GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O:VA;0) 2.98150E+02 +2*G0HCP#+2*L0HCP# +2*L1HCP#+3*GHSERZR#+2*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:O:VA;0) 2.98150E+02 +G0HCP#+2*L0HCP# -2*L1HCP#+AU2#+2*AU2V#-AU2DY#+3*GHSERZR#+GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:VA:VA;0) 2.98150E+02 +G0HCP#+2*L0HCP# -2*L1HCP#+AU2#+2*AU2V#-AU2DY#+3*GHSERZR#+GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:VA:VA;0) 2.98150E+02 +3*GHSERZR#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O,VA:O:O;0) 2.98150E+02 +L0HCP#+6*L1HCP#-AU2# +3*AU2V#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O,VA:O:O;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O,VA:O;0) 2.98150E+02 +L0HCP#+6*L1HCP#-AU2# +3*AU2V#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O,VA:O;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O:O,VA;0) 2.98150E+02 +L0HCP#+6*L1HCP#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O:O,VA;1) 2.98150E+02 +L1HCP#; 6.00000E+03 N 96Lia! PARAMETER G(HCP_3ORD,ZR:VA:O,VA:O;0) 2.98150E+02 +L0HCP#-AU2#+AU2V# -2*AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:O,VA:O;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N REF0 ! PARAMETER G(HCP_3ORD,ZR:VA:O:O,VA;0) 2.98150E+02 +L0HCP#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:O:O,VA;1) 2.98150E+02 +L1HCP#; 6.00000E+03 N 96Lia! PARAMETER G(HCP_3ORD,ZR:O,VA:VA:O;0) 2.98150E+02 +L0HCP#-AU2#+AU2V# -2*AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O,VA:VA:O;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:VA:O,VA;0) 2.98150E+02 +L0HCP#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:VA:O,VA;1) 2.98150E+02 +L1HCP#; 6.00000E+03 N 96Lia! PARAMETER G(HCP_3ORD,ZR:VA:VA:O,VA;0) 2.98150E+02 +L0HCP#-6*L1HCP#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:VA:O,VA;1) 2.98150E+02 +L1HCP#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O,VA:O:VA;0) 2.98150E+02 +L0HCP#-AU2#-AU2V# +2*AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O,VA:O:VA;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O,VA:VA;0) 2.98150E+02 +L0HCP#-AU2#-AU2V# +2*AU2DY#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O:O,VA:VA;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia! PARAMETER G(HCP_3ORD,ZR:VA:O,VA:VA;0) 2.98150E+02 +L0HCP#-6*L1HCP#-AU2# -3*AU2V#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:VA:O,VA:VA;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia! PARAMETER G(HCP_3ORD,ZR:O,VA:VA:VA;0) 2.98150E+02 +L0HCP#-6*L1HCP#-AU2# -3*AU2V#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_3ORD,ZR:O,VA:VA:VA;1) 2.98150E+02 +L1HCP#-AU2V#-AU2DY#; 6.00000E+03 N 96Lia ! TYPE_DEFINITION ( GES A_P_D HCP_A3 MAGNETIC -3.0 2.80000E-01 ! PHASE HCP_A3 %( 3 1 1 1 ! CONSTITUENT HCP_A3 :NB,ZR% : O,VA% : VA : ! PARAMETER G(HCP_A3,NB:O:VA;0) 2.98150E+02 +F12437T#+100000; 6.00000E+03 N 99Dup ! PARAMETER G(HCP_A3,ZR:O:VA;0) 2.98150E+02 +G0HCP#+GHSERZR#+GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_A3,NB:VA:VA;0) 2.98150E+02 +10000+2.4*T+GHEXTNB#; 6.00000E+03 N 91Din ! PARAMETER G(HCP_A3,ZR:VA:VA;0) 2.98150E+02 +GHSERZR#; 6.00000E+03 N 91Din ! PARAMETER G(HCP_A3,ZR:O,VA:VA;0) 2.98150E+02 +3*L0HCP#; 6.00000E+03 N 96Lia ! PARAMETER G(HCP_A3,ZR:O,VA:VA;1) 2.98150E+02 +9*L1HCP#; 6.00000E+03 N 96Lia! PARAMETER G(HCP_A3,NB,ZR:VA:VA;0) 2.98150E+02 24411; 6.00000E+03 N 91Fer ! PHASE NB2O5 % 2 2 5 ! CONSTITUENT NB2O5 :NB : O : ! PARAMETER G(NB2O5,NB:O;0) 2.98150E+02 +F12460T#; 6.00000E+03 N 98Ssu ! PHASE NBO % 2 1 1 ! CONSTITUENT NBO :NB : O : ! PARAMETER G(NBO,NB:O;0) 2.98150E+02 +F12437T#; 6.00000E+03 N 98Ssu! PHASE NBO2 % 2 1 2 ! CONSTITUENT NBO2 :NB : O : ! PARAMETER G(NBO2,NB:O;0) 2.98150E+02 +F12445T#; 6.00000E+03 N 98Ssu ! PHASE ZRO2_CUB % 2 1 2 ! CONSTITUENT ZRO2_CUB :VA,ZR% : O%,VA : ! PARAMETER G(ZRO2_CUB,VA:O;0) 2.98150E+02 +270000+2*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(ZRO2_CUB,ZR:O;0) 2.98150E+02 -1014781.7-269.4*T +59.015088*T*LN(T)-.017726352*T**2+GHSERZR#+2*GHSEROO#; 6.00000E+03 N 96Lia ! PARAMETER G(ZRO2_CUB,VA:VA;0) 2.98150E+02 +1292381.7+268.5*T -59.015088*T*LN(T)+.017726352*T**2; 6.00000E+03 N REF0 ! PARAMETER G(ZRO2_CUB,ZR:VA;0) 2.98150E+02 +7600-.9*T+GHSERZR#; 6.00000E+03 N 91Din ! PARAMETER G(ZRO2_CUB,ZR:O,VA;0) 2.98150E+02 +295349.19-97.99689*T; 6.00000E+03 N 96Lia ! PARAMETER G(ZRO2_CUB,ZR:O,VA;1) 2.98150E+02 -352804.04+117.88667*T; 6.00000E+03 N 96Lia! PHASE ZRO2_MONO % 2 1 2 ! CONSTITUENT ZRO2_MONO :ZR : O : ! PARAMETER G(ZRO2_MONO,ZR:O;0) 2.98150E+02 -1103376.9+247.58658*T -8.076129*T*LN(T)+GHSERZR#+2*GHSEROO#; 6.00000E+03 N 96Lia ! PHASE ZRO2_TETR % 2 1 2 ! CONSTITUENT ZRO2_TETR :ZR : O : ! PARAMETER G(ZRO2_TETR,ZR:O;0) 2.98150E+02 -1036480.92-261.13659*T +59.015088*T*LN(T)-.017726352*T**2+GHSERZR#+2*GHSEROO#; 6.00000E+03 N 96Lia ! LIST_OF_REFERENCES NUMBER SOURCE 98Ssu 'SGTE substance database from 1998' 96Lia ' P Liang, H.L.Lukas, H.J.Seifert a. el. private comunication' 91Din 'Alan Dinsdale, SGTE Data for Pure Elements, Calphad Vol 15(1991) p 317-425, also NPL Report DMA(A)195 Rev. August 1990' 91Fer 'A.Fernandez Guillermet, Z. Metallkde. Vol 82 (1991) p.478-487 Nb-Zr' 99Dup 'N. Dupin I. Ansara, NB-O' !