4 * this program tries helping to understand the amorphous depuration
5 * and recrystallization of SiCx while ion implantation at temperatures
6 * below 400 degree celsius.
7 * hopefully the program will simulate the stabilization of the
8 * selforganizing lamella structure in the observed behaviour.
11 * - J. K. N. Lindner. Habilationsschrift, Universitaet Augsburg.
12 * - Maik Haeberlen. Diplomarbeit, Universitaet Augsburg.
19 #include <sys/types.h>
29 #define MAKE_AMORPH(N) *(N)|=AMORPH
30 #define MAKE_CRYST(N) *(N)&=~AMORPH
32 /* test globals - get removed or included in my_info struct later */
40 puts("-n \t\t no user interaction");
41 puts("-Z \t\t cryst -> amorph c diffusion in z direction");
42 printf("-a <value> \t slope of nuclear energy loss (default %f)\n",A_EL);
43 printf("-b <value> \t nuclear energy loss offset (default %f)\n",B_EL);
44 printf("-x <value> \t # x cells (default %d)\n",X);
45 printf("-y <value> \t # y cells (default %d)\n",Y);
46 printf("-z <value> \t # z cells (default %d)\n",Z);
47 printf("-s <value> \t steps (default %d)\n",STEPS);
48 printf("-d <value> \t refresh display (default %d)\n",REFRESH);
49 printf("-r <value> \t amorphous influence range (default %d)\n",RANGE);
50 printf("-f <value> \t pressure = <value> * 1/distance^2 (default %f)\n",A_AP);
51 printf("-p <value> \t pressure offset (default %f)\n",B_AP);
52 printf("-F <value> \t proportionality constant between c conc and ability to get amorphous (default %f)\n",A_CP);
53 printf("-A <value> \t slope of linear c distribution (default %f)\n",A_CD);
54 printf("-B <value> \t linear c distribution offset (default %f)\n",B_CD);
55 printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC);
56 printf("-c <value> \t diffusion rate in cryst cells (default %f)\n",DR_CC);
57 printf("-e <value> \t do diffusion every <value> steps (default %d)\n",DIFF_RATE);
58 puts("-g <file> <step> \t continue simulation from file and step (step > 0)!");
59 printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
60 puts("-C <file> \t convert file to gnuplot format");
61 puts("-L <file> \t load from file");
62 puts("-S <file> \t save to file");
63 puts("-R <file> \t read from random file");
64 puts("-P <file> \t specify implantatin profile file");
69 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
77 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
78 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
79 p=my_info->b_ap*URAND_MAX;
80 for(i=-(my_info->range);i<=my_info->range;i++)
82 for(j=-(my_info->range);j<=my_info->range;j++)
86 off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
87 if(*(d3_l->status+off)&AMORPH) p+=my_info->a_ap*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
91 p+=*conc*my_info->a_cp*URAND_MAX;
94 if(get_rand(URAND_MAX)<=p)
101 /* assume 1-p probability */
102 if(get_rand(URAND_MAX)>p)
112 int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
119 /* put one c ion somewhere in the lattice */
120 if(my_info->cc<c_ratio*step)
122 x=get_rand(d3_l->max_x);
123 y=get_rand(d3_l->max_y);
124 z=get_rand_lgp(d3_l->max_z,my_info->a_cd,my_info->b_cd);
125 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
129 if(step%my_info->diff_rate==0)
132 for(i=0;i<d3_l->max_x;i++)
134 for(j=0;j<d3_l->max_y;j++)
136 for(k=0;k<d3_l->max_z;k++)
138 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
139 /* case amorph - amorph <-> cryst diffusion */
140 if(*(d3_l->status+offset)&AMORPH)
146 off=((i+d3_l->max_x+c)%d3_l->max_x)+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
148 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
151 *(d3_l->extra+offset)+=carry;
152 *(d3_l->extra+off)-=carry;
160 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;
162 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
165 *(d3_l->extra+offset)+=carry;
166 *(d3_l->extra+off)-=carry;
176 off=i+j*d3_l->max_x+((k+c+d3_l->max_z)%d3_l->max_z)*d3_l->max_x*d3_l->max_y;
178 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
181 *(d3_l->extra+off)-=carry;
182 *(d3_l->extra+offset)+=carry;
188 /* case not amorph - cryst <-> cryst diffusion */
194 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;
196 if(!(*(d3_l->status+off)&AMORPH))
198 carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
201 *(d3_l->extra+offset)+=carry;
202 *(d3_l->extra+off)-=carry;
211 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;
213 if(!(*(d3_l->status+off)&AMORPH))
215 carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
218 *(d3_l->extra+offset)+=carry;
219 *(d3_l->extra+off)-=carry;
229 } /* if step modulo diff_rate == 0 */
234 int calc_pressure(d3_lattice *d3_l,int range)
240 for(x=0;x<d3_l->max_x;x++)
242 for(y=0;y<d3_l->max_y;y++)
244 for(z=0;z<d3_l->max_z;z++)
247 for(i=-range;i<=range;i++)
249 for(j=-range;j<=range;j++)
253 off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
254 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
258 if(count>max) max=count;
263 for(x=0;x<d3_l->max_x;x++)
265 for(y=0;y<d3_l->max_y;y++)
267 for(z=0;z<d3_l->max_z;z++)
270 for(i=-range;i<=range;i++)
272 for(j=-range;j<=range;j++)
276 off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
277 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
281 *(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);
289 int calc_max_extra(d3_lattice *d3_l)
294 for(x=0;x<d3_l->max_x;x++)
296 for(y=0;y<d3_l->max_y;y++)
298 for(z=0;z<d3_l->max_z;z++)
300 off=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
301 if(*(d3_l->extra+off)>max) max=*(d3_l->extra+off);
309 int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
311 int fd,i,j,size=0,foo=0;
312 int width=0,height=0;
313 char bmpfile[MAX_CHARS];
318 sprintf(bmpfile,"x-z_%d.bmp",y);
320 size=(foo+(4-foo%4))*d3_l->max_z;
326 sprintf(bmpfile,"y-z_%d.bmp",x);
328 size=(foo+(4-foo%4))*d3_l->max_z;
334 sprintf(bmpfile,"x-y_%d.bmp",z);
336 size=(foo+(4-foo%4))*d3_l->max_y;
341 if((fd=open(bmpfile,O_WRONLY|O_CREAT))<0)
343 puts("cannot open bmp file");
348 buf[0]='B'; /* std header start */
350 buf[2]=(size+0x36)&0xff; /* file size */
351 buf[3]=(size+0x36)>>8;
353 buf[10]=0x36; /* offset to data */
355 buf[14]=0x28; /* length of bmp info header */
357 buf[18]=width&0xff; /* width and height */
363 buf[26]=1; /* # planes -> 1 */
365 buf[28]=24; /* bits per pixel -> 2^24 (true color) */
367 memset(buf+30,0,4); /* compression -> none */
368 buf[34]=size&0xff; /* data size */
371 buf[38]=0x12; /* res: pixel/meter */
377 memset(buf+46,0,8); /* no colors, no important colors */
379 if(write(fd,buf,54)<54)
381 puts("failed writing bmp header");
386 for(j=0;j<d3_l->max_z;j++)
388 for(i=0;i<d3_l->max_x;i++)
390 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) memset(buf,0xff,3);
391 else memset(buf,0,3);
392 if(write(fd,buf,3)<3)
394 puts("failed writing rgb values to bmp file");
400 memset(buf,0,4-foo%4);
401 if(write(fd,buf,4-foo%4)<4-foo%4)
403 puts("failed writing 4 byte ending");
411 for(j=0;j<d3_l->max_z;j++)
413 for(i=0;i<d3_l->max_y;i++)
415 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) memset(buf,0xff,3);
416 else memset(buf,0,3);
417 if(write(fd,buf,3)<3)
419 puts("failed writing rgb values to bmp file");
425 memset(buf,0,4-foo%4);
426 if(write(fd,buf,4-foo%4)<4-foo%4)
428 puts("failed writing 4 byte ending");
436 for(j=0;j<d3_l->max_y;j++)
438 for(i=0;i<d3_l->max_x;i++)
440 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) memset(buf,0xff,3);
441 else memset(buf,0,3);
442 if(write(fd,buf,3)<3)
444 puts("failed writing rgb values to bmp file");
450 memset(buf,0,4-foo%4);
451 if(write(fd,buf,4-foo%4)<4-foo%4)
453 puts("failed writing 4 byte ending");
464 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
468 if((sf_fd=open(sf,O_WRONLY|O_CREAT))<0)
470 puts("cannot open save file");
473 if(write(sf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
475 puts("failed saving d3 lattice struct");
478 if(write(sf_fd,my_inf,sizeof(info))<sizeof(info))
480 puts("failed saving info struct");
483 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
484 if(write(sf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
486 puts("failed saving status of d3 lattice sites");
489 if(write(sf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
491 puts("failed saving sites concentration");
499 int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
503 if((lf_fd=open(lf,O_RDONLY))<0)
505 puts("cannot open load file");
508 if(read(lf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
510 puts("failed reading d3 lattice struct");
513 if(read(lf_fd,my_inf,sizeof(info))<sizeof(info))
515 puts("failed reading info struct");
518 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
519 if((d3_l->status=(unsigned char*)malloc(c*sizeof(unsigned char)))==NULL)
521 puts("cannot allocate status buffer");
524 if((d3_l->extra=(int *)malloc(c*sizeof(int)))==NULL)
526 puts("cannot allocate concentration buffer");
529 if(read(lf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
531 puts("failed reading status of d3 lattice sites");
534 if(read(lf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
536 puts("failed reading sites concentration");
544 int convert_file(char *cf,d3_lattice *d3_l)
549 if((c_fd=open(cf,O_WRONLY|O_CREAT))<0)
551 puts("cannot open convert file");
554 dprintf(c_fd,"# created by nlsop (gnuplot format)\n");
555 for(x=0;x<d3_l->max_x;x++)
557 for(y=0;y<d3_l->max_y;y++)
559 for(z=0;z<d3_l->max_z;z++)
561 if(*(d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH) dprintf(c_fd,"%d %d %d\n",x,y,z);
570 int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
575 unsigned char buf[32];
579 if((p_fd=open(pfile,O_RDONLY))<0)
581 puts("cannot open profile file");
598 a=atof(p)/10; /* nm */
601 if(a>my_info->b_cd*CELL_LENGTH && a<(my_info->b_cd+d3_l->max_z)*CELL_LENGTH) d+=b;
611 int main(int argc,char **argv)
613 u32 x,y,z,x_c,y_c,z_c;
614 int i,quit,escape,switchmode,nowait,bmp;
617 char s_file[MAX_CHARS];
618 char s_file_tmp[MAX_CHARS];
619 char l_file[MAX_CHARS];
620 char c_file[MAX_CHARS];
621 char p_file[MAX_CHARS];
623 char r_file[MAX_CHARS];
625 char xyz_txt[MAX_TXT];
626 char status_txt[MAX_TXT];
627 char conc_txt[MAX_TXT];
628 char steps_txt[MAX_TXT];
629 char cc_txt[MAX_TXT];
632 char ap_txt[MAX_TXT];
633 char el_txt[MAX_TXT];
634 char cd_txt[MAX_TXT];
636 char cp_txt[MAX_TXT];
637 char zdiff_txt[MAX_TXT];
638 char diff_txt[MAX_TXT];
639 char dr_ac_txt[MAX_TXT];
640 char dr_cc_txt[MAX_TXT];
641 char dose_txt[MAX_TXT];
642 char mode_txt[MAX_TXT];
643 char *arg_v[MAX_ARGV];
671 my_info.diff_rate=DIFF_RATE;
680 strcpy(p_file,IMP_PROFILE);
701 my_info.a_el=atof(argv[++i]);
704 my_info.b_el=atof(argv[++i]);
707 d3_l.max_x=atoi(argv[++i]);
710 d3_l.max_y=atoi(argv[++i]);
713 d3_l.max_z=atoi(argv[++i]);
719 my_info.steps=atoi(argv[++i]);
722 refresh=atoi(argv[++i]);
725 my_info.range=atoi(argv[++i]);
728 my_info.a_ap=atof(argv[++i]);
731 my_info.b_ap=atof(argv[++i]);
734 my_info.a_cp=atof(argv[++i]);
737 my_info.a_cd=atof(argv[++i]);
740 my_info.b_cd=atof(argv[++i]);
743 resave=atoi(argv[++i]);
746 strcpy(l_file,argv[++i]);
747 if(i<argc-1) if(argv[i+1][0]!='-') strcpy(c_file,argv[++i]);
751 my_info.dr_ac=atof(argv[++i]);
754 my_info.dr_cc=atof(argv[++i]);
757 my_info.diff_rate=atoi(argv[++i]);
760 strcpy(l_file,argv[++i]);
763 strcpy(s_file,argv[++i]);
766 strcpy(r_file,argv[++i]);
769 strcpy(p_file,argv[++i]);
772 strcpy(l_file,argv[++i]);
773 if(i<argc-1) if(argv[i+1][0]!='-') c_step=atoi(argv[++i]);
787 if(!strcmp(s_file,""))
789 puts("NODFB defined, run with -S option");
794 if(!strcmp(r_file,"")) rand_init(NULL);
795 else rand_init(r_file);
797 if(!strcmp(l_file,""))
799 i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
801 d3_lattice_init(&argc,argv,&d3_l);
803 if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL)
805 puts("failed allocating status buffer");
808 memset(d3_l.status,0,i*sizeof(unsigned char));
809 if((d3_l.extra=(int *)malloc(i*sizeof(int)))==NULL)
811 puts("failed allocating concentration buffer");
814 memset(d3_l.extra,0,i*sizeof(int));
817 load_from_file(l_file,&d3_l,&my_info);
820 if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file);
821 printf("converting file %s to %s\n",l_file,c_file);
822 convert_file(c_file,&d3_l);
827 else d3_lattice_init(&argc,argv,&d3_l);
832 d3_event_init(&d3_l);
836 strcpy(a_txt,"args:");
837 sprintf(s_txt,"steps: %d",my_info.steps);
838 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));
839 sprintf(r_txt,"pressure range: %d",my_info.range);
840 sprintf(ap_txt,"a_ap: %.3f b_ap: %.3f",my_info.a_ap,my_info.b_ap);
841 sprintf(el_txt,"a_el: %.3f b_el: %.3f",my_info.a_el,my_info.b_el);
842 sprintf(cd_txt,"a_cd: %.3f b_cd: %.3f",my_info.a_cd,my_info.b_cd);
843 sprintf(cp_txt,"a_cp: %.4f",my_info.a_cp);
844 sprintf(dr_ac_txt,"a/c diffusion rate: %.4f",my_info.dr_ac);
845 sprintf(dr_cc_txt,"c/c diffusion rate: %.4f",my_info.dr_cc);
846 sprintf(zdiff_txt,"diffusion in z direction: %c",my_info.z_diff?'y':'n');
847 sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate);
848 strcpy(mode_txt,"view: a/c mode");
876 if((!strcmp(l_file,""))||(c_step))
878 if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
880 puts("failed calculating ratio");
884 while((i<my_info.steps) && (quit==0) && (escape==0))
886 x_c=get_rand(d3_l.max_x);
887 y_c=get_rand(d3_l.max_y);
888 z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
889 distrib_c(&d3_l,&my_info,i,c_ratio);
890 process_cell(&d3_l,x_c,y_c,z_c,&my_info);
894 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
895 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');
896 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
897 sprintf(steps_txt,"step: %d a_count: %d",i,amorph_count);
898 sprintf(cc_txt,"total c: %d c_count: %d",my_info.cc,cryst_count);
899 d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
902 if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
904 sprintf(s_file_tmp,"%s_%d_of_%d",s_file,i,my_info.steps);
905 save_to_file(s_file_tmp,&d3_l,&my_info);
907 printf("saved %s\n",s_file_tmp);
914 if(strcmp(s_file,""))
916 printf("saved %s\n",s_file);
917 save_to_file(s_file,&d3_l,&my_info);
921 /* allocating buffer for pressure values */
922 if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL)
924 puts("cannot allocate buffer for pressure values");
928 calc_pressure(&d3_l,my_info.range);
929 max_extra=calc_max_extra(&d3_l);
931 while((quit==0) && (escape==0) && (nowait==0))
934 if(switchmode==0) mode=0;
935 if(switchmode==1) mode=1;
936 if(switchmode==2) mode=2;
938 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
939 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');
940 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
941 sprintf(steps_txt,"step: end");
942 sprintf(cc_txt,"total c: %d",my_info.cc);
943 if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
944 if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
945 if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
946 d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
948 scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp);
949 if(bmp) write_bmp(&d3_l,bmp,x,y,z);
953 d3_lattice_release(&d3_l);