*********************************************************************************************************************** * * * EOSFIT7c * * * * Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO, ML MAZZUCCHELLI * * Version date: 25-January-2023 * * Version: 7.62 * * * * * * INCLUDING LEAST SQUARES BY I.G. WOOD & J. PIPER AND USING THE CrysFML EOS MODULE. * * * * EosFit7c: Angel, Gonzalez-Platas, Alvaro (2014) Zeitschrift fuer Kristallographie, 229:405-419. * * Phase Transitions: Angel et al (2017) Contribs Min Pet, DOI:10.1007/s00410-017-1349-x * * Fitting Moduli: Milani et al. (2017) Amer Min, DOI:10.2138/am-2017-5855 * * * * Development currently supported by ERC grant 714936, TrueDepths to M. Alvaro, and * * Agencia Estatal de Investigacion under * * National Program of Sciences and Technological Materials (PID2019-106383GB-C44) to J. Gonzalez-Platas * * !!!!!DEVELOPMENT VERSION, NOT FOR GENERAL RELEASE!!!!! * * * * * * Current date and time: 27-JAN-2023 14:01 * * * *********************************************************************************************************************** EosFit parameter file This is a fixed-format file. If you edit this file, make sure you do not move anything! It is safer to change the parameters by loading the file to EosFit, and saving the file after making changes ____________________________________________________________________________________________________________ Title =Quartz simple model (Angel et al 2017) fit to PT-K,V data Savedate =27-JAN-2023 at 14:01 Comment =V0 set to give 22.69cm3/mol at STP Comment =Phase boundary Tr0=847 K and dTr/dP = 240 K/GPa (same as Thermocalc) Comment =K0, Kprime, aL fit to TV data of Carpenter et al (1998) and PV data of Angel et al (1997) Comment =and to elastic data from Lakshtanov et al (2007) and Wang et al (2015) Comment =V0 set so that V(STP)=1.0 Comment =alphaV of high phase set to zero System =Trigonal Model = 5, (Tait) Order = 3 Thermal = 6, (HP Thermal Pressure) Cross = 0, (none) Trans = 3, (Landau PVT) Shear = 0, (none) Angles = 0 Pref = 0.00000 Tref = 298.00000 Pscale =GPa Vscale =cm^3/mol Osc2 = 0, (none) Osc3 = 0, (none) Type = Volume Stoich = 1.00000 Param = 1 24.7510 (V0 , Reference pressure volume: units are cm^3/mol) Param = 2 58.3865 (K0 , Bulk modulus: units are GPa) Param = 3 8.95722 (Kp , dK/dP: dimensionless) Param = 4 -0.1534 (Kpp , d2K/dP2: units are inverse GPa) Param = 5 0.00000 Param = 6 0.00000 Param = 7 0.00000 Param = 8 0.00000 Param = 9 0.00000 Param =10 0.00000 (alph0, Constant of thermal expansion at Tref x10^5 K^-1) Param =11 525.235 (Th_E , Einstein temperature in K) Param =12 0.00000 Param =13 1.00000 (Natom, Number of atoms per formula unit) Param =14 0.00000 Param =15 0.00000 Param =16 0.00000 Param =17 0.00000 Param =18 0.00000 (Gamm0, Gruneisen parameter at Tref,Pref) Param =19 0.00000 Param =20 1.00000 (High , Indicator = +1 if high T phase is high sym phase) Param =21 847.000 (Ttr , Transition temperature at P=0) Param =22 240.000 (Ttr-P, Ttr=Ttr0 + uP + vP^2: P coeff) Param =23 0.00000 (TtrP2, Ttr=Ttr0 + uP + vP^2: P^2 coeff) Param =24 -1.8298 (aL , Scaling parameter, low phase x10^3) Param =25 0.50000 (betaL, Power law term, low phase) Param =26 0.00000 (aH , Scaling parameter, high phase x10^3) Param =27 0.00000 (betaH, Power law term, high phase) Param =28 0.00000 Param =29 0.00000 Param =30 Inf Param =31 0.00000 Param =32 0.00000 Param =33 0.00000 Param =34 0.00000 Param =35 0.00000 Param =36 0.00000 Param =37 0.00000 Param =38 0.00000 Param =39 0.00000 Param =40 0.00000 Param =41 298.000 Param =42 1.00000 Param =43 0.00000 Param =44 0.00000 Param =45 0.00000 Param =46 298.000 Param =47 1.00000 Param =48 0.00000 Param =49 0.00000 Param =50 1.00000 Param =51 1.00000 Param =52 1.00000 Param =53 1.00000 Param =54 1.00000 Param =55 1.00000 Param =56 1.00000 Param =57 1.00000 Param =58 1.00000 Param =59 1.00000 Variance-Covariance matrix= 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 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