/************************************************************************************* * Program: LP2C * * Purpose: Calculate Carbon Content of Austenite and Ferrite from Lattice Parameter * * using empirical relationships (linear) due to Dyson and Holmes * * * * Author: Mathew James Peet * * Version: 0.03 * * Date: 01-Mar-2010 ... White Rabits! * * Location: http://mathewpeet.org/thesis/programs/ * * License: GPL, Gnu Public License, you are free to modify and use this program * * if you distribute the program you must also distribute the code, along with any * * changes you make. Do not modify this header. * * * ************************************************************************************/ #include #include #define K 0.28664 //checked - calc should be in nm and mol_frac #define KK 0.0821624896 // K*K just to save calc #define KKK 0.0235510560189 // K*K*K just to save calc // define global variables double lp=0; // lattice parameter in nanometers double Comp_Si=0; //weight percent double Comp_Mn=0; //weight percent double Comp_Cr=0; //weight percent double Comp_Ni=0; //weight percent double Comp_V=0; //weight percent double Comp_Mo=0; //weight percent double Comp_C=0; //weight percent main() { warn(); printf("Enter Lattice Parameter: \n"); scanf("%lf",&lp); entercomposition(); if (lp >1.0) { printf("assuming entered value in angstoms dividing by 10\n"); lp = lp/10.0; } else { printf(".\n"); } if (lp > 0.25 && lp < 0.4) { if (lp > 0.3 && lp < 0.4) calc_aus_lp(); else if (lp > 0.25) calc_fer_lp(); else exit(-1); } else { printf("Lattice Paramater Out of Range\n"); exit(-1); } exit(0); } entercomposition() //replace with interactive or load from file option { /* Comp_Si=1.59; //Aus 1 weight percent Comp_Mn=1.94; Comp_Cr=1.33; Comp_Ni=0.02; Comp_V=0.11; Comp_Mo=0.3; Comp_C=0.8;// Average or Nominal Composition */ Comp_Si=1.59; //Stress induced bainite transformation in steel - weight percent Comp_Mn=1.94; Comp_Cr=1.33; Comp_Ni=0.02; Comp_V=0.1; Comp_Mo=0.3; Comp_C=0;// Average or Nominal Composition */ } calc_aus_lp() { double w_Mn=0; double w_Si=0; double w_Ni=0; double w_Cr=0; double w_Mo=0; double w_V=0; double w_C=0; printf("Assuming Austenite... Calculating for Austenite\n"); //for testing we have the values we need. printf("lp is %f\n",lp); printf("Si is %f\n",Comp_Si); printf("Mn is %f\n",Comp_Mn); printf("Cr is %f\n",Comp_Cr); printf("Ni is %f\n",Comp_Ni); printf("V is %f\n",Comp_V); printf("Mo is %f\n",Comp_Mo); w_Mn=Comp_Mn/100; w_Si=Comp_Si/100; //anyway Si isnt used in calc. w_Ni=Comp_Ni/100; w_Cr=Comp_Cr/100; w_Mo=Comp_Mo/100; w_V=Comp_V/100; w_C=(lp-(0.3578+0.0095*w_Mn-0.002*w_Ni+0.006*w_Cr+0.031*w_Mo+0.018*w_V))/0.33; // Dyson and Holmes - Alloy additions // paper also contains estimate of errors due to each element Comp_C=w_C*100; printf("C in Austenite is %f Wt%\n",Comp_C); printf("C in Austenite is %lf Wt%\n",Comp_C); Comp_C = (10*lp-(3.578+0.00095*Comp_Mn - 0.0002*Comp_Ni + 0.0006*Comp_Cr + 0.0031*Comp_Mo + 0.0018*Comp_V))/0.033; printf("C in Austenite is %f Wt%\n",Comp_C); printf("C in Austenite is %lf Wt%\n",Comp_C); } calc_fer_lp() { double step; double lp_i=0; double A=0; double X_Si = 0;// Mole fraction double X_Mn = 0; double X_Cr = 0; double X_Ni = 0; double X_V = 0; double X_Mo = 0; double X_C = 0; double Comp_Fe = 0;//weight percent double total_moles= 0; printf("Assuming Ferrite.... Calculating for Ferrite\n"); Comp_Fe = 100-Comp_Si - Comp_Mn - Comp_Cr - Comp_Ni - Comp_V - Comp_Mo; // - Comp_C; //weight percent total_moles = Comp_Fe/55.847 +Comp_Si/28.086 +Comp_Mn/54.847 +Comp_Cr/51.996 +Comp_Ni/58.71 +Comp_V/50.9415 +Comp_Mo/95.94; // +Comp_C/12.01115; //moles in 100g X_Si= (Comp_Si/28.086)/total_moles; X_Mn= (Comp_Mn/54.847)/total_moles; X_Cr= (Comp_Cr/51.996)/total_moles; X_Ni= (Comp_Ni/58.71)/total_moles; X_V= (Comp_V/50.9415)/total_moles; X_Mo= (Comp_Mo/95.94)/total_moles; X_C= 0; //(Comp_C/12.01115)/total_moles; //testing printf("lp is %f\n",lp); printf("Element\t Wt%\t\tmole fraction\n"); printf("Si\t%f\t%f\n",Comp_Si,X_Si); printf("C\t%f\t%f\n",Comp_C,X_C); printf("Cr\t%f\t%f\n",Comp_Cr,X_Cr); printf("Ni\t%f\t%f\n",Comp_Ni,X_Ni); printf("V\t%f\t%f\n",Comp_V,X_V); printf("Mo\t%f\t%f\n",Comp_Mo,X_Mo); /*K is a constant relating to lattice param of pure ferrite defined at start of file as 0.28664 - substituted at compile time */ A = K; printf("\n\n\t%f\n",A); A = KK; printf("\n\t%f\n",A); A = KKK; printf("\n\t%f\n",A); // A = K - 0.03*Comp_Si+ 0.06*Comp_Mn+ 0.07*Comp_Ni+ 0.31*Comp_Mo+ 0.05*Comp_Cr+ 0.096*Comp_V; A = K - 0.003*X_Si + 0.006*X_Mn + 0.007*X_Ni + 0.031*X_Mo + 0.005*X_Cr + 0.0096*X_V; //A = K; printf("contribution of other elements is \n\t%f\n",A); // printf("setting lattice param from 600 temper \n\t%f\n",A); // A = 0.287250737412143; //printf("contribution of other elements is \n\t%f\n",A); Comp_C=0;//need to reinitalise Comp_C since that is what we want to calculate X_C = 0; step = 1; while (lp_i < lp) { X_C = X_C + step; lp_i = A + ( ( (K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK ) / (3.0*KK) ); } printf("%f\t \t%f %f\n",Comp_C,X_C,lp_i); //uncomment for testing Comp_C = X_C*4; step = -0.1; while (lp_i > lp) { X_C = X_C + step; //lp_i = A + ( ((K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK) /3*KK); lp_i = A + ( ( (K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK ) / (3.0*KK) ); } printf("%f\t \t%f %f\n",Comp_C,X_C,lp_i); //uncomment for testing Comp_C = X_C*4; step = 0.001; while (lp_i < lp) { X_C = X_C + step; //lp_i = A + ( ((K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK) /3*KK); lp_i = A + ( ( (K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK ) / (3.0*KK) ); } printf("%f\t \t%f %f\n",Comp_C,X_C,lp_i); //uncomment for testing Comp_C = X_C*4; step = -0.00001; while (lp_i > lp) { X_C = X_C + step; //lp_i = A + ( ((K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK) /3*KK); lp_i = A + ( ( (K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK ) / (3.0*KK) ); } printf("%f\t \t%f %f\n",Comp_C,X_C,lp_i); //uncomment for testing Comp_C = X_C*4; step = 0.0000001; while (lp_i < lp) { X_C = X_C + step; //lp_i = A + ( ((K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK) /3*KK); lp_i = A + ( ( (K-0.0279*X_C)*(K-0.0279*X_C)*(K+0.2496*X_C)-KKK ) / (3.0*KK) ); } printf("%f\t \t%f %f\n",Comp_C,X_C,lp_i); //uncomment for testing Comp_C = X_C*21.8; // (calc for aus1 but should be Approx. X_C x 100 x (12/55 ) printf("C in Ferrite is %f mole fraction\n",X_C); printf("C in Ferrite is %f Wt%\n",Comp_C); } warn() { printf("\nWarning composition is fixed inside program! You need to edit the source code.\n\n"); printf("\nComposition range used by Dyson and Holmes (1970) for austenite lattice parameter\n"); printf("C 0.004 to 0.126 wt%\n"); printf("N 0.006 to 0.289 wt%\n"); printf("Mn 0.89 to 8.55 wt%\n"); printf("Si 0.13 to 4.15 wt%\n"); printf("Cr 15.4 to 19.60 wt%\n"); printf("Ni 7.7 to 26.00 wt%\n"); printf("Al <0.01 to 1.95 wt%\n"); printf("Ti <0.01 to 1.61 wt%\n"); printf("V <0.01 to 3.53 wt%\n"); printf("Co <0.01 to 7.97 wt%\n"); printf("Cu <0.01 to 2.24 wt%\n"); printf("Nb <0.01 to 1.21 wt%\n"); printf("Mo <0.01 to 3.73 wt%\n"); printf("W <0.01 to 3.98 wt%\n"); printf("Ferrite data is from various publications, see Bhadeshia etal Stress Induced bainite transformation in steel\n"); }