X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fnlsop.git;a=blobdiff_plain;f=nlsop.c;h=2222fca666f3d1ae19afbf3fb9affdbce61335b2;hp=2bec6ec342e2a53f260725d54f5d86fb5068f31f;hb=21bb2d2c6e2d1de0e1c4a75d114a87a94b39ba8c;hpb=071a604b4ac46c1c7b403e2e7b6042866415eb29 diff --git a/nlsop.c b/nlsop.c index 2bec6ec..2222fca 100644 --- a/nlsop.c +++ b/nlsop.c @@ -55,9 +55,9 @@ int usage(void) puts("-n \t\t no user interaction"); puts("-Z \t\t cryst -> amorph c diffusion in z direction"); puts("-i \t\t no cryst to cryst diffusion"); - printf("-x \t # x cells (default %d)\n",X); - printf("-y \t # y cells (default %d)\n",Y); - printf("-z \t # z cells (default %d)\n",Z); + printf("-x \t # x cells (default %d)\n",_X); + printf("-y \t # y cells (default %d)\n",_Y); + printf("-z \t # z cells (default %d)\n",_Z); printf("-s \t steps (default %d)\n",STEPS); printf("-d \t refresh display (default %d)\n",REFRESH); printf("-r \t amorphous influence range (default %d)\n",RANGE); @@ -65,7 +65,6 @@ int usage(void) printf("-p \t ballistic amorphization influence (default %f)\n",B_D); printf("-F \t carbon induced amorphization influence (default %f)\n",C_D); printf("-D \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC); - printf("-c \t diffusion rate in cryst cells (default %f)\n",DR_CC); printf("-e \t do diffusion every steps (default %d)\n",DIFF_RATE); puts("-g continue simulation from file and step (step > 0)!"); printf("-W \t write every steps to save file (default %d)\n",RESAVE); @@ -76,11 +75,33 @@ int usage(void) puts("-P \t specify implantation profile file"); puts("-N \t specify nuclear energy loss profile file"); printf("-H \t collisions per ion in simulation window (default %d)\n",CPI); - puts("-m \t specify c->a carbon saturation"); + printf("-m \t number of ion hits sputtering 3nm (default %d)\n",S_RATE); return 1; } +int sputter(d3_lattice *d3_l) +{ + int i,size; + int offh,offl; + + size=d3_l->max_x*d3_l->max_y; + offl=0; + offh=size; + + for(i=0;imax_z-1;i++) + { + memcpy(d3_l->status+offl,d3_l->status+offh,size); + memcpy(d3_l->extra+offl,d3_l->extra+offh,size*sizeof(int)); + offl=offh; + offh+=size; + } + memset(d3_l->status+offl,0,size); + memset(d3_l->extra+offl,0,size); + + return 1; +} + int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z) { unsigned char *thiz; @@ -127,7 +148,7 @@ int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z) return 1; } -int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u32 *rj_g) +int distrib_c(d3_lattice *d3_l,info *my_info,int step,u32 rj_m,u32 *rj_g) { u32 x,y,z; int i,j,k,c; @@ -135,14 +156,11 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3 int carry; /* put one c ion somewhere in the lattice */ - if(my_info->ccmax_x); - y=get_rand(d3_l->max_y); - z=get_rand_reject(d3_l->max_z,rj_m,rj_g); - *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1; - (my_info->cc)++; - } + x=get_rand(d3_l->max_x); + y=get_rand(d3_l->max_y); + z=get_rand_reject(d3_l->max_z,rj_m,rj_g); + *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1; + (my_info->cc)++; if(step%my_info->diff_rate==0) { @@ -155,7 +173,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3 { offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y; /* case amorph: amorph <- cryst diffusion */ - if(*(d3_l->status+offset)&AMORPH && *(d3_l->extra+offset)c_sat) + if(*(d3_l->status+offset)&AMORPH) { for(c=-1;c<=1;c++) { @@ -185,74 +203,30 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3 } } } - if(my_info->z_diff) - { - if(k!=0) - { - off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y; - carry=0; - if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off))); - if(carry!=0) - { - *(d3_l->extra+off)-=carry; - *(d3_l->extra+offset)+=carry; - } - } - if(k!=d3_l->max_z-1) - { - off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y; - carry=0; - if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off))); - if(carry!=0) - { - *(d3_l->extra+off)-=carry; - *(d3_l->extra+offset)+=carry; - } - } - } - } else - /* case not amorph: cryst <-> cryst diffusion */ - if(my_info->c_diff) { - /* if there is c diff, no diff in z-direction */ - { - for(c=-1;c<=1;c++) + /* z diff */ + if(k!=0) { - if(c!=0) + off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y; + carry=0; + if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off))); + if(carry!=0) { - off=i+((j+c+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+k*d3_l->max_x*d3_l->max_y; - carry=0; - if(!(*(d3_l->status+off)&AMORPH)) - { - carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2); - if(carry!=0) - { - *(d3_l->extra+offset)+=carry; - *(d3_l->extra+off)-=carry; - } - } + *(d3_l->extra+off)-=carry; + *(d3_l->extra+offset)+=carry; } } - for(c=-1;c<=1;c++) + if(k!=d3_l->max_z-1) { - if(c!=0) + off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y; + carry=0; + if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off))); + if(carry!=0) { - off=((i+c+d3_l->max_x)%d3_l->max_x)+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y; - carry=0; - if(!(*(d3_l->status+off)&AMORPH)) - { - carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2); - if(carry!=0) - { - *(d3_l->extra+offset)+=carry; - *(d3_l->extra+off)-=carry; - } - } + *(d3_l->extra+off)-=carry; + *(d3_l->extra+offset)+=carry; } } } - /* end test */ - } - /* */ } /* for z */ } /* for y */ } /* for x */ @@ -309,7 +283,7 @@ int calc_pressure(d3_lattice *d3_l,int range) } } } - *(unsigned char *)(d3_l->v_ptr+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(unsigned char)(count*255/max); + *((unsigned int *)(d3_l->v_ptr)+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(count*500/max); } } } @@ -344,7 +318,6 @@ int write_ac_distr(d3_lattice *d3_l,int ac_distr) char file[32]; int si_count; - si_count=d3_l->max_x*d3_l->max_y*SI_PER_VOLUME; if(ac_distr==1) strcpy(file,"carbon_in_av.plot"); if(ac_distr==2) strcpy(file,"carbon_in_cv.plot"); if(ac_distr==3) strcpy(file,"carbon.plot"); @@ -359,23 +332,45 @@ int write_ac_distr(d3_lattice *d3_l,int ac_distr) for(z=0;zmax_z;z++) { count=0; + si_count=0; for(x=0;xmax_x;x++) { for(y=0;ymax_y;y++) { offset=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y; if(ac_distr==1) - if(*(d3_l->status+offset)&AMORPH) count+=*(d3_l->extra+offset); + if(*(d3_l->status+offset)&AMORPH) + { + count+=*(d3_l->extra+offset); + si_count+=1; + } if(ac_distr==2) - if(!(*(d3_l->status+offset)&AMORPH)) count+=*(d3_l->extra+offset); - if(ac_distr==3) count+=*(d3_l->extra+offset); + if(!(*(d3_l->status+offset)&AMORPH)) + { + count+=*(d3_l->extra+offset); + si_count+=1; + } + if(ac_distr==3) + { + count+=*(d3_l->extra+offset); + si_count+=1; + } if(ac_distr==4) if(*(d3_l->status+offset)&AMORPH) count+=1; } } -#ifndef MAC + si_count*=SI_PER_VOLUME; if(ac_distr==4) dprintf(fd,"%d %d\n",z*CELL_LENGTH,count); - else dprintf(fd,"%d %f\n",z*CELL_LENGTH,100.0*count/si_count); +#ifdef ATPROZ + else + { + if(si_count) + dprintf(fd,"%d %f\n",z*CELL_LENGTH,100.0*count/(si_count+count)); + else + dprintf(fd,"%d 0\n",z*CELL_LENGTH); + } +#else + else dprintf(fd,"%d %d\n",z*CELL_LENGTH,count/(d3_l->max_x*d3_l->max_y)); #endif } close(fd); @@ -440,7 +435,7 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) } if(window==7) { - sprintf(bmpfile,"x-z_a_cdistr_%d.bmp",y); + sprintf(bmpfile,"x-z_pressure_%d.bmp",y); foo=3*d3_l->max_x; size=(foo+(4-foo%4))*d3_l->max_z; height=d3_l->max_z; @@ -448,7 +443,7 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) } if(window==8) { - sprintf(bmpfile,"y-z_a_cdistr_%d.bmp",x); + sprintf(bmpfile,"y-z_pressure_%d.bmp",x); foo=3*d3_l->max_y; size=(foo+(4-foo%4))*d3_l->max_z; height=d3_l->max_z; @@ -456,7 +451,7 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) } if(window==9) { - sprintf(bmpfile,"x-y_a_cdistr_%d.bmp",z); + sprintf(bmpfile,"x-y_pressure_%d.bmp",z); foo=3*d3_l->max_x; size=(foo+(4-foo%4))*d3_l->max_y; height=d3_l->max_y; @@ -617,8 +612,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) for(i=0;imax_x;i++) { sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y); - sum=sum*255/max; - memset(buf,(unsigned char)sum,3); + sum=sum*500/max; + buf[2]=0; + if(sum<=255) { + buf[1]=0; + buf[0]=sum; + } else { + buf[1]=(sum-255); + buf[0]=0xff; + } if(write(fd,buf,3)<3) { puts("failed writing rgb values to bmp file"); @@ -643,8 +645,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) for(i=0;imax_x;i++) { sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y); - sum=sum*255/max; - memset(buf,(unsigned char)sum,3); + sum=sum*500/max; + buf[2]=0; + if(sum<=255) { + buf[1]=0; + buf[0]=sum; + } else { + buf[1]=(sum-255); + buf[0]=0xff; + } if(write(fd,buf,3)<3) { puts("failed writing rgb values to bmp file"); @@ -669,8 +678,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) for(i=0;imax_x;i++) { sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y); - sum=sum*255/max; - memset(buf,(unsigned char)sum,3); + sum=sum*500/max; + buf[2]=0; + if(sum<=255) { + buf[1]=0; + buf[0]=sum; + } else { + buf[1]=(sum-255); + buf[0]=0xff; + } if(write(fd,buf,3)<3) { puts("failed writing rgb values to bmp file"); @@ -694,10 +710,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) { for(i=0;imax_x;i++) { - if(*(d3_l->status+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y); - else sum=0; - sum=sum*255/max; - memset(buf,(unsigned char)sum,3); + sum=*((unsigned int *)(d3_l->v_ptr)+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y); + buf[0]=0; + if(sum<=255) { + buf[1]=0; + buf[2]=sum; + } else { + buf[1]=(sum-255); + buf[2]=0xff; + } if(write(fd,buf,3)<3) { puts("failed writing rgb values to bmp file"); @@ -721,10 +742,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) { for(i=0;imax_x;i++) { - if(*(d3_l->status+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y); - else sum=0; - sum=sum*255/max; - memset(buf,(unsigned char)sum,3); + sum=*((unsigned int *)(d3_l->v_ptr)+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y); + buf[0]=0; + if(sum<=255) { + buf[1]=0; + buf[2]=sum; + } else { + buf[1]=(sum-255); + buf[2]=0xff; + } if(write(fd,buf,3)<3) { puts("failed writing rgb values to bmp file"); @@ -748,10 +774,16 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max) { for(i=0;imax_x;i++) { - if(*(d3_l->status+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y); - else sum=0; - sum=sum*255/max; - memset(buf,(unsigned char)sum,3); + sum=*((unsigned int *)(d3_l->v_ptr)+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y); + buf[0]=0; + if(sum<=255) { + buf[1]=0; + buf[2]=sum; + } else { + buf[1]=(sum-255); + buf[2]=0xff; + } + printf("sum = %d => r: %02x g: %02x b: %02x\n",sum,buf[2],buf[1],buf[0]); if(write(fd,buf,3)<3) { puts("failed writing rgb values to bmp file"); @@ -958,7 +990,6 @@ int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf) int convert_file(char *cf,d3_lattice *d3_l) { -#ifndef MAC int x,y,z; int c_fd; @@ -979,7 +1010,6 @@ int convert_file(char *cf,d3_lattice *d3_l) } } close(c_fd); -#endif return 1; } @@ -1092,12 +1122,45 @@ u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) { return max; } +int get_amorphous_layer_info(d3_lattice *d3_l,int *sai,int *sacl,int *eacl) { + int i,j,a,oend,nend,count; + unsigned char sacl_is_set=0; + unsigned char eacl_is_set=0; + unsigned char sai_is_set=0; + + a=d3_l->max_x*d3_l->max_y; + nend=a; + oend=0; + + for(i=0;imax_z;i++) { + count=0; + for(j=oend;jstatus+j)&AMORPH) count++; + oend=nend; + nend+=a; + if((count>=A_START*a)&&(!sai_is_set)) { + *sai=i; + sai_is_set=1; + } + if((count>=AC_START*a)&&(!sacl_is_set)) { + *sacl=i; + sacl_is_set=1; + } + if((count<=A_END*a)&&(sacl_is_set)&&(!eacl_is_set)) { + *eacl=i; + eacl_is_set=1; + } + if((eacl_is_set)&&(count>=A_END*a)) eacl_is_set=0; + } + return 1; +} + int main(int argc,char **argv) { u32 x,y,z,x_c,y_c,z_c; int i,j,quit,escape,switchmode,nowait,bmp,ac_distr; int refresh,resave; int c_step; + int sai,sacl,eacl; char s_file[MAX_CHARS]; char s_file_tmp[MAX_CHARS]; char l_file[MAX_CHARS]; @@ -1121,11 +1184,13 @@ int main(int argc,char **argv) char zdiff_txt[MAX_TXT]; char diff_txt[MAX_TXT]; char dr_ac_txt[MAX_TXT]; - char dr_cc_txt[MAX_TXT]; char dose_txt[MAX_TXT]; char mode_txt[MAX_TXT]; char hpi_txt[MAX_TXT]; - char csat_txt[MAX_TXT]; + char srate_txt[MAX_TXT]; + char start_ai_txt[MAX_TXT]; + char start_acl_txt[MAX_TXT]; + char end_acl_txt[MAX_TXT]; char *arg_v[MAX_ARGV]; #endif d3_lattice d3_l; @@ -1139,25 +1204,23 @@ int main(int argc,char **argv) u32 *n_e_loss; u32 ne_max,ip_max; u32 nel_z; + unsigned char do_sputter; - d3_l.max_x=X; - d3_l.max_y=Y; - d3_l.max_z=Z; + d3_l.max_x=_X; + d3_l.max_y=_Y; + d3_l.max_z=_Z; my_info.steps=STEPS; my_info.range=RANGE; refresh=REFRESH; resave=RESAVE; - my_info.z_diff=0; - my_info.c_diff=1; my_info.s=S_D; my_info.b=B_D; my_info.c=C_D; my_info.cc=CC; my_info.dr_ac=DR_AC; - my_info.dr_cc=DR_CC; my_info.diff_rate=DIFF_RATE; my_info.cpi=CPI; - my_info.c_sat=C_SAT; + my_info.s_rate=S_RATE; nowait=0; quit=0; escape=0; @@ -1173,6 +1236,10 @@ int main(int argc,char **argv) mode=0; ne_max=0; ip_max=0; + sai=0; + sacl=0; + eacl=0; + do_sputter=1; #ifdef MORE_PRINTF printf("reading argv ..."); @@ -1199,13 +1266,6 @@ int main(int argc,char **argv) case 'z': d3_l.max_z=atoi(argv[++i]); break; - case 'Z': - my_info.z_diff=1; - break; - case 'i': - my_info.c_diff=0; - my_info.dr_cc=0; - break; case 's': my_info.steps=atoi(argv[++i]); break; @@ -1235,9 +1295,6 @@ int main(int argc,char **argv) case 'D': my_info.dr_ac=atof(argv[++i]); break; - case 'c': - my_info.dr_cc=atof(argv[++i]); - break; case 'e': my_info.diff_rate=atoi(argv[++i]); break; @@ -1264,7 +1321,7 @@ int main(int argc,char **argv) my_info.cpi=atoi(argv[++i]); break; case 'm': - my_info.c_sat=atoi(argv[++i]); + my_info.s_rate=atoi(argv[++i]); break; default: usage(); @@ -1289,23 +1346,18 @@ int main(int argc,char **argv) } #endif -#ifdef MORE_PRINTF - printf("rand init ..."); -#endif - + printf("random api init ..."); if(!strcmp(r_file,"")) rand_init(NULL); else rand_init(r_file); - -#ifdef MORE_PRINTF printf(" done\n"); - printf("allocating data ..."); -#endif if(!strcmp(l_file,"")) { i=d3_l.max_x*d3_l.max_y*d3_l.max_z; #ifdef USE_DFB_API + printf("d3 lattice init ..."); d3_lattice_init(&argc,argv,&d3_l); + printf(" done\n"); #endif if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL) { @@ -1321,7 +1373,9 @@ int main(int argc,char **argv) memset(d3_l.extra,0,i*sizeof(int)); } else { + printf("loading file ..."); load_from_file(l_file,&d3_l,&my_info); + printf(" done\n"); if(convert) { if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file); @@ -1331,34 +1385,36 @@ int main(int argc,char **argv) return 1; } #ifdef USE_DFB_API - else d3_lattice_init(&argc,argv,&d3_l); + printf("d3 lattice init ..."); + d3_lattice_init(&argc,argv,&d3_l); + printf(" done\n"); #endif } -#ifdef MORE_PRINTF - printf(" done\n"); -#endif - #ifdef USE_DFB_API + printf("event init ..."); d3_event_init(&d3_l); + printf(" done\n"); #endif #ifdef USE_DFB_API strcpy(a_txt,"args:"); sprintf(s_txt,"steps: %d",my_info.steps); sprintf(dose_txt,"dose: %.2fe+17 C/cm²",my_info.steps*1.0/(d3_l.max_x*d3_l.max_y*CELL_LENGTH*CELL_LENGTH*1000)); - sprintf(r_txt,"pressure range: %d",my_info.range); + sprintf(r_txt,"stress influence range: %d",my_info.range); sprintf(stress_txt,"stress term: %f",my_info.s); sprintf(ballistic_txt,"ballistic term: %f",my_info.b); sprintf(carbon_txt,"carbon term: %f",my_info.c); sprintf(dr_ac_txt,"a/c diffusion rate: %f",my_info.dr_ac); - if(my_info.c_diff!=0) sprintf(dr_cc_txt,"c/c diffusion rate: %f",my_info.dr_cc); - else sprintf(dr_cc_txt,"c/c diffusion rate: none"); - sprintf(zdiff_txt,"diffusion in z direction: %c",my_info.z_diff?'y':'n'); + sprintf(zdiff_txt,"diffusion in z direction: yes"); sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate); strcpy(mode_txt,"view: a/c mode"); sprintf(hpi_txt,"hits per ion: %d",my_info.cpi); - sprintf(csat_txt,"carbon saturation: %d",my_info.c_sat); + sprintf(srate_txt,"sputter rate (3nm/#c): %d",my_info.s_rate); + get_amorphous_layer_info(&d3_l,&sai,&sacl,&eacl); + sprintf(start_ai_txt,"start of a-inclusions: %d nm (%d)",3*sai,sai); + sprintf(start_acl_txt,"start of a-layer: %d nm (%d)",3*sacl,sacl); + sprintf(end_acl_txt,"end of a-layer: %d nm (%d)",3*eacl,eacl); arg_v[1]=mode_txt; arg_v[2]=xyz_txt; arg_v[3]=status_txt; @@ -1372,25 +1428,22 @@ int main(int argc,char **argv) arg_v[11]=dose_txt; arg_v[12]=diff_txt; arg_v[13]=zdiff_txt; - arg_v[14]=r_txt; + arg_v[14]=dr_ac_txt; arg_v[15]=ballistic_txt; arg_v[16]=carbon_txt; arg_v[17]=stress_txt; - arg_v[18]=dr_ac_txt; - arg_v[19]=dr_cc_txt; - arg_v[20]=hpi_txt; - arg_v[21]=csat_txt; - arg_v[22]=NULL; - arg_v[23]=NULL; - arg_v[24]=NULL; + arg_v[18]=r_txt; + arg_v[19]=hpi_txt; + arg_v[20]=srate_txt; + arg_v[21]=NULL; + arg_v[22]=start_ai_txt; + arg_v[23]=start_acl_txt; + arg_v[24]=end_acl_txt; arg_v[25]=NULL; #endif -#ifdef MORE_PRINTF - printf("random rejection graphs ..."); -#endif - /* compute graphs for random number rejection method */ + printf("random rejection graphs ..."); if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) { puts("failed allocating memory for carbon profile graph"); @@ -1403,19 +1456,27 @@ int main(int argc,char **argv) } ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile); ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss); + printf(" done\n"); if((!strcmp(l_file,""))||(c_step)) { + + /* this should be obsolete - z is high enough - we check now! */ + if(c_profile[d3_l.max_z-1]!=0) + { + printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z); + do_sputter=0; + } /* calculate ratio of c_simwindow / c_total */ - if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1) + if(!do_sputter) { - puts("failed calculating ratio"); - return -1; + get_c_ratio(&c_ratio,p_file,&my_info,&d3_l); + printf("calculated c ratio: %f\n",c_ratio); } -#ifdef MORE_PRINTF - printf(" done\n"); -#endif + /* sputtering realy possible ?*/ + if(n_e_loss[d3_l.max_z-1]!=0) + printf("warning: max_z (%d) too small - there may be amorphous volumes\n",d3_l.max_z); #ifdef DEBUG_RAND i=0; @@ -1429,6 +1490,9 @@ int main(int argc,char **argv) #endif #ifdef DEBUG_NORM printf("%d\n",get_rand(d3_l.max_z)); +#endif +#ifdef DEBUG_LINEAR + printf("%d\n",get_rand_lgp(d3_l.max_z,1,0)); #endif if(i==10000000) return 1; i++; @@ -1454,15 +1518,19 @@ int main(int argc,char **argv) nel_z=URAND_MAX*(1.0*n_e_loss[z_c]/ne_max); process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z); } - distrib_c(&d3_l,&my_info,i,c_ratio,ip_max,c_profile); + distrib_c(&d3_l,&my_info,i,ip_max,c_profile); #ifdef USE_DFB_API if(i%refresh==0) { - sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1); + sprintf(xyz_txt,"x: %d y: %d z: %d (%d nm)",x+1,y+1,z+1,z*3); sprintf(status_txt,"status: %c",(*(d3_l.status+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)&AMORPH)?'a':'c'); - sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)); + sprintf(conc_txt,"carbon: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)); sprintf(steps_txt,"step: %d",i); sprintf(cc_txt,"total c: %d",my_info.cc); + get_amorphous_layer_info(&d3_l,&sai,&sacl,&eacl); + sprintf(start_ai_txt,"start of a-inclusions: %d nm (%d)",3*sai,sai); + sprintf(start_acl_txt,"start of a-layer: %d nm (%d)",3*sacl,sacl); + sprintf(end_acl_txt,"end of a-layer: %d nm (%d)",3*eacl,eacl); d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0,NULL,0,NULL,0); } #endif @@ -1475,6 +1543,7 @@ int main(int argc,char **argv) #endif } i++; + if((do_sputter)&(i%my_info.s_rate==0)) sputter(&d3_l); } } @@ -1486,14 +1555,20 @@ int main(int argc,char **argv) #ifdef USE_DFB_API /* allocating buffer for pressure values */ - if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL) + printf("allocating buffer for preassure values ..."); + if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned int)))==NULL) { puts("cannot allocate buffer for pressure values"); return -1; } + printf(" done\n"); /* calc values */ + printf("calculating preassure values ..."); calc_pressure(&d3_l,my_info.range); + printf(" done\n"); + printf("finding maximum carbon concentration ..."); max_extra=calc_max_extra(&d3_l); + printf(" done\n"); while((quit==0) && (escape==0) && (nowait==0)) { @@ -1503,9 +1578,9 @@ int main(int argc,char **argv) if(switchmode==2) mode=2; if(switchmode==3) mode=3; /* end of bahh! */ - sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1); + sprintf(xyz_txt,"x: %d y: %d z: %d (%d nm)",x+1,y+1,z+1,z*3); sprintf(status_txt,"status: %c",(*(d3_l.status+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)&AMORPH)?'a':'c'); - sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)); + sprintf(conc_txt,"carbon: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)); sprintf(steps_txt,"step: end"); sprintf(cc_txt,"total c: %d",my_info.cc); if(switchmode==0) strcpy(mode_txt,"view: a/c mode");