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 */
41 puts("-n \t\t no user interaction");
42 puts("-Z \t\t cryst -> amorph c diffusion in z direction");
43 puts("-i \t\t no cryst to cryst diffusion");
44 printf("-a <value> \t slope of nuclear energy loss (default %f)\n",A_EL);
45 printf("-b <value> \t nuclear energy loss offset (default %f)\n",B_EL);
46 printf("-x <value> \t # x cells (default %d)\n",X);
47 printf("-y <value> \t # y cells (default %d)\n",Y);
48 printf("-z <value> \t # z cells (default %d)\n",Z);
49 printf("-s <value> \t steps (default %d)\n",STEPS);
50 printf("-d <value> \t refresh display (default %d)\n",REFRESH);
51 printf("-r <value> \t amorphous influence range (default %d)\n",RANGE);
52 printf("-f <value> \t pressure = <value> * 1/distance^2 (default %f)\n",A_AP);
53 printf("-p <value> \t pressure offset (default %f)\n",B_AP);
54 printf("-F <value> \t proportionality constant between c conc and ability to get amorphous (default %f)\n",A_CP);
55 printf("-A <value> \t slope of linear c distribution (default %f)\n",A_CD);
56 printf("-B <value> \t linear c distribution offset (default %f)\n",B_CD);
57 printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC);
58 printf("-c <value> \t diffusion rate in cryst cells (default %f)\n",DR_CC);
59 printf("-e <value> \t do diffusion every <value> steps (default %d)\n",DIFF_RATE);
60 puts("-g <file> <step> continue simulation from file and step (step > 0)!");
61 printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
62 puts("-C <file> \t convert file to gnuplot format");
63 puts("-L <file> \t load from file");
64 puts("-S <file> \t save to file");
65 puts("-R <file> \t read from random file");
66 puts("-P <file> \t specify implantatin profile file");
71 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
79 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
80 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
81 p=my_info->b_ap*URAND_MAX;
82 for(i=-(my_info->range);i<=my_info->range;i++)
84 for(j=-(my_info->range);j<=my_info->range;j++)
88 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;
89 if(*(d3_l->status+off)&AMORPH) p+=my_info->a_ap*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
93 p+=*conc*my_info->a_cp*URAND_MAX;
96 if(get_rand(URAND_MAX)<=p)
103 /* assume 1-p probability */
104 if(get_rand(URAND_MAX)>p)
114 int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
121 /* put one c ion somewhere in the lattice */
122 if(my_info->cc<c_ratio*step)
124 x=get_rand(d3_l->max_x);
125 y=get_rand(d3_l->max_y);
126 z=get_rand_lgp(d3_l->max_z,my_info->a_cd,my_info->b_cd);
127 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
131 if(step%my_info->diff_rate==0)
134 for(i=0;i<d3_l->max_x;i++)
136 for(j=0;j<d3_l->max_y;j++)
138 for(k=0;k<d3_l->max_z;k++)
140 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
141 /* case amorph: amorph <- cryst diffusion */
142 if(*(d3_l->status+offset)&AMORPH)
148 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;
150 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
153 *(d3_l->extra+offset)+=carry;
154 *(d3_l->extra+off)-=carry;
162 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;
164 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
167 *(d3_l->extra+offset)+=carry;
168 *(d3_l->extra+off)-=carry;
178 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;
180 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
183 *(d3_l->extra+off)-=carry;
184 *(d3_l->extra+offset)+=carry;
190 /* case not amorph: cryst <-> cryst diffusion */
200 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;
202 if(!(*(d3_l->status+off)&AMORPH))
204 carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
207 *(d3_l->extra+offset)+=carry;
208 *(d3_l->extra+off)-=carry;
217 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;
219 if(!(*(d3_l->status+off)&AMORPH))
221 carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
224 *(d3_l->extra+offset)+=carry;
225 *(d3_l->extra+off)-=carry;
238 } /* if step modulo diff_rate == 0 */
243 int calc_pressure(d3_lattice *d3_l,int range)
249 for(x=0;x<d3_l->max_x;x++)
251 for(y=0;y<d3_l->max_y;y++)
253 for(z=0;z<d3_l->max_z;z++)
256 for(i=-range;i<=range;i++)
258 for(j=-range;j<=range;j++)
262 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;
263 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
267 if(count>max) max=count;
272 for(x=0;x<d3_l->max_x;x++)
274 for(y=0;y<d3_l->max_y;y++)
276 for(z=0;z<d3_l->max_z;z++)
279 for(i=-range;i<=range;i++)
281 for(j=-range;j<=range;j++)
285 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;
286 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
290 *(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);
298 int calc_max_extra(d3_lattice *d3_l)
303 for(x=0;x<d3_l->max_x;x++)
305 for(y=0;y<d3_l->max_y;y++)
307 for(z=0;z<d3_l->max_z;z++)
309 off=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
310 if(*(d3_l->extra+off)>max) max=*(d3_l->extra+off);
318 int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
320 int fd,i,j,size=0,foo=0;
321 int width=0,height=0;
322 char bmpfile[MAX_CHARS];
327 sprintf(bmpfile,"x-z_%d.bmp",y);
329 size=(foo+(4-foo%4))*d3_l->max_z;
335 sprintf(bmpfile,"y-z_%d.bmp",x);
337 size=(foo+(4-foo%4))*d3_l->max_z;
343 sprintf(bmpfile,"x-y_%d.bmp",z);
345 size=(foo+(4-foo%4))*d3_l->max_y;
350 if((fd=open(bmpfile,O_WRONLY|O_CREAT))<0)
352 puts("cannot open bmp file");
357 buf[0]='B'; /* std header start */
359 buf[2]=(size+0x36)&0xff; /* file size */
360 buf[3]=(size+0x36)>>8;
362 buf[10]=0x36; /* offset to data */
364 buf[14]=0x28; /* length of bmp info header */
366 buf[18]=width&0xff; /* width and height */
372 buf[26]=1; /* # planes -> 1 */
374 buf[28]=24; /* bits per pixel -> 2^24 (true color) */
376 memset(buf+30,0,4); /* compression -> none */
377 buf[34]=size&0xff; /* data size */
380 buf[38]=0x12; /* res: pixel/meter */
386 memset(buf+46,0,8); /* no colors, no important colors */
388 if(write(fd,buf,54)<54)
390 puts("failed writing bmp header");
395 for(j=0;j<d3_l->max_z;j++)
397 for(i=0;i<d3_l->max_x;i++)
399 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);
400 else memset(buf,0,3);
401 if(write(fd,buf,3)<3)
403 puts("failed writing rgb values to bmp file");
409 memset(buf,0,4-foo%4);
410 if(write(fd,buf,4-foo%4)<4-foo%4)
412 puts("failed writing 4 byte ending");
420 for(j=0;j<d3_l->max_z;j++)
422 for(i=0;i<d3_l->max_y;i++)
424 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);
425 else memset(buf,0,3);
426 if(write(fd,buf,3)<3)
428 puts("failed writing rgb values to bmp file");
434 memset(buf,0,4-foo%4);
435 if(write(fd,buf,4-foo%4)<4-foo%4)
437 puts("failed writing 4 byte ending");
445 for(j=0;j<d3_l->max_y;j++)
447 for(i=0;i<d3_l->max_x;i++)
449 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);
450 else memset(buf,0,3);
451 if(write(fd,buf,3)<3)
453 puts("failed writing rgb values to bmp file");
459 memset(buf,0,4-foo%4);
460 if(write(fd,buf,4-foo%4)<4-foo%4)
462 puts("failed writing 4 byte ending");
473 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
477 if((sf_fd=open(sf,O_WRONLY|O_CREAT))<0)
479 puts("cannot open save file");
482 if(write(sf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
484 puts("failed saving d3 lattice struct");
487 if(write(sf_fd,my_inf,sizeof(info))<sizeof(info))
489 puts("failed saving info struct");
492 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
493 if(write(sf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
495 puts("failed saving status of d3 lattice sites");
498 if(write(sf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
500 puts("failed saving sites concentration");
508 int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
512 if((lf_fd=open(lf,O_RDONLY))<0)
514 puts("cannot open load file");
517 if(read(lf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
519 puts("failed reading d3 lattice struct");
522 if(read(lf_fd,my_inf,sizeof(info))<sizeof(info))
524 puts("failed reading info struct");
527 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
528 if((d3_l->status=(unsigned char*)malloc(c*sizeof(unsigned char)))==NULL)
530 puts("cannot allocate status buffer");
533 if((d3_l->extra=(int *)malloc(c*sizeof(int)))==NULL)
535 puts("cannot allocate concentration buffer");
538 if(read(lf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
540 puts("failed reading status of d3 lattice sites");
543 if(read(lf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
545 puts("failed reading sites concentration");
553 int convert_file(char *cf,d3_lattice *d3_l)
558 if((c_fd=open(cf,O_WRONLY|O_CREAT))<0)
560 puts("cannot open convert file");
563 dprintf(c_fd,"# created by nlsop (gnuplot format)\n");
564 for(x=0;x<d3_l->max_x;x++)
566 for(y=0;y<d3_l->max_y;y++)
568 for(z=0;z<d3_l->max_z;z++)
570 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);
579 int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
584 unsigned char buf[32];
588 if((p_fd=open(pfile,O_RDONLY))<0)
590 puts("cannot open profile file");
607 a=atof(p)/10; /* nm */
610 if(a>my_info->b_cd*CELL_LENGTH && a<(my_info->b_cd+d3_l->max_z)*CELL_LENGTH) d+=b;
620 int main(int argc,char **argv)
622 u32 x,y,z,x_c,y_c,z_c;
623 int i,quit,escape,switchmode,nowait,bmp;
626 char s_file[MAX_CHARS];
627 char s_file_tmp[MAX_CHARS];
628 char l_file[MAX_CHARS];
629 char c_file[MAX_CHARS];
630 char p_file[MAX_CHARS];
632 char r_file[MAX_CHARS];
634 char xyz_txt[MAX_TXT];
635 char status_txt[MAX_TXT];
636 char conc_txt[MAX_TXT];
637 char steps_txt[MAX_TXT];
638 char cc_txt[MAX_TXT];
641 char ap_txt[MAX_TXT];
642 char el_txt[MAX_TXT];
643 char cd_txt[MAX_TXT];
645 char cp_txt[MAX_TXT];
646 char zdiff_txt[MAX_TXT];
647 char diff_txt[MAX_TXT];
648 char dr_ac_txt[MAX_TXT];
649 char dr_cc_txt[MAX_TXT];
650 char dose_txt[MAX_TXT];
651 char mode_txt[MAX_TXT];
652 char *arg_v[MAX_ARGV];
681 my_info.diff_rate=DIFF_RATE;
690 strcpy(p_file,IMP_PROFILE);
711 my_info.a_el=atof(argv[++i]);
714 my_info.b_el=atof(argv[++i]);
717 d3_l.max_x=atoi(argv[++i]);
720 d3_l.max_y=atoi(argv[++i]);
723 d3_l.max_z=atoi(argv[++i]);
732 my_info.steps=atoi(argv[++i]);
735 refresh=atoi(argv[++i]);
738 my_info.range=atoi(argv[++i]);
741 my_info.a_ap=atof(argv[++i]);
744 my_info.b_ap=atof(argv[++i]);
747 my_info.a_cp=atof(argv[++i]);
750 my_info.a_cd=atof(argv[++i]);
753 my_info.b_cd=atof(argv[++i]);
756 resave=atoi(argv[++i]);
759 strcpy(l_file,argv[++i]);
760 if(i<argc-1) if(argv[i+1][0]!='-') strcpy(c_file,argv[++i]);
764 my_info.dr_ac=atof(argv[++i]);
767 my_info.dr_cc=atof(argv[++i]);
770 my_info.diff_rate=atoi(argv[++i]);
773 strcpy(l_file,argv[++i]);
776 strcpy(s_file,argv[++i]);
779 strcpy(r_file,argv[++i]);
782 strcpy(p_file,argv[++i]);
785 strcpy(l_file,argv[++i]);
786 if(i<argc-1) if(argv[i+1][0]!='-') c_step=atoi(argv[++i]);
800 if(!strcmp(s_file,""))
802 puts("NODFB defined, run with -S option");
807 if(!strcmp(r_file,"")) rand_init(NULL);
808 else rand_init(r_file);
810 if(!strcmp(l_file,""))
812 i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
814 d3_lattice_init(&argc,argv,&d3_l);
816 if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL)
818 puts("failed allocating status buffer");
821 memset(d3_l.status,0,i*sizeof(unsigned char));
822 if((d3_l.extra=(int *)malloc(i*sizeof(int)))==NULL)
824 puts("failed allocating concentration buffer");
827 memset(d3_l.extra,0,i*sizeof(int));
830 load_from_file(l_file,&d3_l,&my_info);
833 if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file);
834 printf("converting file %s to %s\n",l_file,c_file);
835 convert_file(c_file,&d3_l);
840 else d3_lattice_init(&argc,argv,&d3_l);
845 d3_event_init(&d3_l);
849 strcpy(a_txt,"args:");
850 sprintf(s_txt,"steps: %d",my_info.steps);
851 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));
852 sprintf(r_txt,"pressure range: %d",my_info.range);
853 sprintf(ap_txt,"a_ap: %.3f b_ap: %.3f",my_info.a_ap,my_info.b_ap);
854 sprintf(el_txt,"a_el: %.3f b_el: %.3f",my_info.a_el,my_info.b_el);
855 sprintf(cd_txt,"a_cd: %.3f b_cd: %.3f",my_info.a_cd,my_info.b_cd);
856 sprintf(cp_txt,"a_cp: %.4f",my_info.a_cp);
857 sprintf(dr_ac_txt,"a/c diffusion rate: %.4f",my_info.dr_ac);
858 sprintf(dr_cc_txt,"c/c diffusion rate: %.4f",my_info.dr_cc);
859 sprintf(zdiff_txt,"diffusion in z direction: %c",my_info.z_diff?'y':'n');
860 sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate);
861 strcpy(mode_txt,"view: a/c mode");
889 if((!strcmp(l_file,""))||(c_step))
891 if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
893 puts("failed calculating ratio");
897 while((i<my_info.steps) && (quit==0) && (escape==0))
899 x_c=get_rand(d3_l.max_x);
900 y_c=get_rand(d3_l.max_y);
901 z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
902 distrib_c(&d3_l,&my_info,i,c_ratio);
903 process_cell(&d3_l,x_c,y_c,z_c,&my_info);
907 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
908 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');
909 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
910 sprintf(steps_txt,"step: %d a_count: %d",i,amorph_count);
911 sprintf(cc_txt,"total c: %d c_count: %d",my_info.cc,cryst_count);
912 d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
915 if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
917 sprintf(s_file_tmp,"%s_%d_of_%d",s_file,i,my_info.steps);
918 save_to_file(s_file_tmp,&d3_l,&my_info);
920 printf("saved %s\n",s_file_tmp);
927 if(strcmp(s_file,""))
929 printf("saved %s\n",s_file);
930 save_to_file(s_file,&d3_l,&my_info);
934 /* allocating buffer for pressure values */
935 if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL)
937 puts("cannot allocate buffer for pressure values");
941 calc_pressure(&d3_l,my_info.range);
942 max_extra=calc_max_extra(&d3_l);
944 while((quit==0) && (escape==0) && (nowait==0))
947 if(switchmode==0) mode=0;
948 if(switchmode==1) mode=1;
949 if(switchmode==2) mode=2;
951 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
952 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');
953 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
954 sprintf(steps_txt,"step: end");
955 sprintf(cc_txt,"total c: %d",my_info.cc);
956 if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
957 if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
958 if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
959 d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
961 scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp);
962 if(bmp) write_bmp(&d3_l,bmp,x,y,z);
966 d3_lattice_release(&d3_l);