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
36 puts("-n \t\t no user interaction");
37 puts("-Z \t\t cryst -> amorph c diffusion in z direction");
38 printf("-a <value> \t slope of nuclear energy loss (default %f)\n",A_EL);
39 printf("-b <value> \t nuclear energy loss offset (default %f)\n",B_EL);
40 printf("-x <value> \t # x cells (default %d)\n",X);
41 printf("-y <value> \t # y cells (default %d)\n",Y);
42 printf("-z <value> \t # z cells (default %d)\n",Z);
44 printf("-X <value> \t display x (default %d)\n",X/2-1);
45 printf("-Y <value> \t display y (default %d)\n",Y/2-1);
46 printf("-Z <value> \t display z (default %d)\n",Z/2-1);
48 printf("-s <value> \t steps (default %d)\n",STEPS);
49 printf("-d <value> \t refresh display (default %d)\n",REFRESH);
50 printf("-r <value> \t amorphous influence range (default %d)\n",RANGE);
51 printf("-f <value> \t pressure = <value> * 1/distance^2 (default %f)\n",A_AP);
52 printf("-p <value> \t pressure offset (default %f)\n",B_AP);
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);
56 printf("-C <value> \t initial c concentration (default %d)\n",CC);
58 printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC);
59 printf("-c <value> \t diffusion rate in cryst cells (default %f)\n",DR_CC);
60 printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
61 puts("-C <file> \t convert file to gnuplot format");
62 puts("-L <file> \t load from file");
63 puts("-S <file> \t save to file");
64 puts("-R <file> \t read from random file");
65 puts("-P <file> \t specify implantatin profile file");
70 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
78 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
79 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
80 p=my_info->b_ap*URAND_MAX;
81 for(i=-(my_info->range);i<=my_info->range;i++)
83 for(j=-(my_info->range);j<=my_info->range;j++)
87 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;
88 if(*(d3_l->status+off)&AMORPH) p+=my_info->a_ap*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
92 p+=*conc*my_info->a_cp*URAND_MAX;
93 printf("debug: p = %f\n",p);
96 if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
99 /* assume 1-p probability */
100 if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
108 int distrib_c(d3_lattice *d3_l,info *my_info) /* double d_r,double a,double b,char z_diff) */
115 /* put one c ion somewhere in the lattice */
116 x=get_rand(d3_l->max_x);
117 y=get_rand(d3_l->max_y);
118 z=get_rand_lgp(d3_l->max_z,a,b);
119 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
121 /* diffusion in layer */
122 for(i=0;i<d3_l->max_x;i++)
124 for(j=0;j<d3_l->max_y;j++)
126 for(k=0;k<d3_l->max_z;k++)
128 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
130 if(*(d3_l->status+offset)&AMORPH)
132 /* look at neighbours and move c ions */
137 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;
139 /* case neighbour not amorph */
140 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(d_r*(*(d3_l->extra+off)));
141 /* case neighbour amorph */
143 * no diffusion between amorphous cells
145 else carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
149 *(d3_l->extra+offset)+=carry;
150 *(d3_l->extra+off)-=carry;
158 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;
160 /* case neighbour not amorph */
161 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(d_r*(*(d3_l->extra+off)));
162 /* case neighbour amorph */
165 * no diffusion between amorphous cells
167 else carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
171 *(d3_l->extra+offset)+=carry;
172 *(d3_l->extra+off)-=carry;
177 /* case not amorph */
179 /* look at neighbours and move c ions */
184 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;
186 /* case neighbour not amorph */
187 if(!(*(d3_l->status+off)&AMORPH))
189 carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
192 *(d3_l->extra+offset)+=carry;
193 *(d3_l->extra+off)-=carry;
202 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;
204 /* case neighbour not amorph */
205 if(!(*(d3_l->status+off)&AMORPH))
207 carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
210 *(d3_l->extra+offset)+=carry;
211 *(d3_l->extra+off)-=carry;
216 /* cryst -> amorph diffusion in z direction */
221 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;
223 if(*(d3_l->status+off)&AMORPH) carry=(int)(d_r*(*(d3_l->extra+offset)));
226 *(d3_l->extra+offset)-=carry;
227 *(d3_l->extra+off)+=carry;
239 int calc_pressure(d3_lattice *d3_l,int range)
245 for(x=0;x<d3_l->max_x;x++)
247 for(y=0;y<d3_l->max_y;y++)
249 for(z=0;z<d3_l->max_z;z++)
252 for(i=-range;i<=range;i++)
254 for(j=-range;j<=range;j++)
258 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;
259 if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
263 *(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_VPTR);
271 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
275 if((sf_fd=open(sf,O_WRONLY|O_CREAT))<0)
277 puts("cannot open save file");
280 if(write(sf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
282 puts("failed saving d3 lattice struct");
285 if(write(sf_fd,my_inf,sizeof(info))<sizeof(info))
287 puts("failed saving info struct");
290 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
291 if(write(sf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
293 puts("failed saving status of d3 lattice sites");
296 if(write(sf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
298 puts("failed saving sites concentration");
306 int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
310 if((lf_fd=open(lf,O_RDONLY))<0)
312 puts("cannot open load file");
315 if(read(lf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
317 puts("failed reading d3 lattice struct");
320 if(read(lf_fd,my_inf,sizeof(info))<sizeof(info))
322 puts("failed reading info struct");
325 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
326 if((d3_l->status=(unsigned char*)malloc(c*sizeof(unsigned char)))==NULL)
328 puts("cannot allocate status buffer");
331 if((d3_l->extra=(int *)malloc(c*sizeof(int)))==NULL)
333 puts("cannot allocate concentration buffer");
336 if(read(lf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
338 puts("failed reading status of d3 lattice sites");
341 if(read(lf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
343 puts("failed reading sites concentration");
351 int convert_file(char *cf,d3_lattice *d3_l)
356 if((c_fd=open(cf,O_WRONLY|O_CREAT))<0)
358 puts("cannot open convert file");
361 dprintf(c_fd,"# created by nlsop (gnuplot format)\n");
362 for(x=0;x<d3_l->max_x;x++)
364 for(y=0;y<d3_l->max_y;y++)
366 for(z=0;z<d3_l->max_z;z++)
368 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);
377 int main(int argc,char **argv)
379 u32 x,y,z,x_c,y_c,z_c;
380 int i,quit,escape,switchmode,nowait;
382 char s_file[MAX_CHARS];
383 char s_file_tmp[MAX_CHARS];
384 char l_file[MAX_CHARS];
385 char c_file[MAX_CHARS];
386 char p_file[MAX_CHARS];
388 char r_file[MAX_CHARS];
390 char xyz_txt[MAX_TXT];
391 char status_txt[MAX_TXT];
392 char conc_txt[MAX_TXT];
393 char steps_txt[MAX_TXT];
394 char cc_txt[MAX_TXT];
397 char ap_txt[MAX_TXT];
398 char el_txt[MAX_TXT];
399 char cd_txt[MAX_TXT];
401 char ap2_txt[MAX_TXT];
402 char cd2_txt[MAX_TXT];
403 char el2_txt[MAX_TXT];
404 char dr_ac_txt[MAX_TXT];
405 char dr_cc_txt[MAX_TXT];
406 char mode_txt[MAX_TXT];
407 char *arg_v[MAX_ARGV];
437 strcpy(p_file,IMP_PROFILE);
455 my_info.a_el=atof(argv[++i]);
458 my_info.b_el=atof(argv[++i]);
461 d3_l.max_x=atoi(argv[++i]);
464 d3_l.max_y=atoi(argv[++i]);
467 d3_l.max_z=atoi(argv[++i]);
482 my_info.steps=atoi(argv[++i]);
485 refresh=atoi(argv[++i]);
488 my_info.range=atoi(argv[++i]);
491 my_info.a_ap=atof(argv[++i]);
494 my_info.b_ap=atof(argv[++i]);
497 my_info.a_cd=atof(argv[++i]);
500 my_info.b_cd=atof(argv[++i]);
504 my_info.cc=atoi(argv[++i]);
508 resave=atoi(argv[++i]);
511 strcpy(l_file,argv[++i]);
512 if(i<argc-1) if(argv[i+1][0]!='-') strcpy(c_file,argv[++i]);
516 my_info.dr_ac=atof(argv[++i]);
519 my_info.dr_cc=atof(argv[++i]);
522 strcpy(l_file,argv[++i]);
525 strcpy(s_file,argv[++i]);
528 strcpy(r_file,argv[++i]);
531 strcpy(p_file,argv[++i]);
545 if(!strcmp(s_file,""))
547 puts("NODFB defined, run with -S option");
552 if(!strcmp(r_file,"")) rand_init(NULL);
553 else rand_init(r_file);
555 if(!strcmp(l_file,""))
557 i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
559 d3_lattice_init(&argc,argv,&d3_l);
561 if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL)
563 puts("failed allocating status buffer");
566 memset(d3_l.status,0,i*sizeof(unsigned char));
567 if((d3_l.extra=(int *)malloc(i*sizeof(int)))==NULL)
569 puts("failed allocating concentration buffer");
572 memset(d3_l.extra,0,i*sizeof(int));
575 load_from_file(l_file,&d3_l,&my_info);
578 if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file);
579 printf("converting file %s to %s\n",l_file,c_file);
580 convert_file(c_file,&d3_l);
585 else d3_lattice_init(&argc,argv,&d3_l);
590 d3_event_init(&d3_l);
594 strcpy(a_txt,"args:");
595 sprintf(s_txt,"steps: %d",my_info.steps);
596 sprintf(r_txt,"pressure range: %d",my_info.range);
597 sprintf(ap_txt,"pressure faktor: %.2f",my_info.a_ap);
598 sprintf(ap2_txt,"pressure offset: %.2f",my_info.b_ap);
599 sprintf(el_txt,"energy loss slope: %.2f",my_info.a_el);
600 sprintf(el2_txt,"energy loss offset: %.2f",my_info.b_el);
601 sprintf(cd_txt,"c distrib slope: %.2f",my_info.a_cd);
602 sprintf(cd2_txt,"c distrib offset: %.2f",my_info.b_cd);
603 sprintf(dr_ac_txt,"a/c diffusion rate: %.2f",my_info.dr_ac);
604 sprintf(dr_cc_txt,"c/c diffusion rate: %.2f",my_info-dr_cc);
605 strcpy(mode_txt,"view: a/c mode");
632 if(!strcmp(l_file,""))
635 while((i<my_info.steps) && (quit==0) && (escape==0))
637 x_c=get_rand(d3_l.max_x);
638 y_c=get_rand(d3_l.max_y);
639 z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
640 distrib_c(&d3_l,my_info.d_r,my_info.a_cd,my_info.b_cd,z_diff);
641 process_cell(&d3_l,x_c,y_c,z_c,&my_info);
645 sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
646 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');
647 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
648 sprintf(steps_txt,"step: %d",i);
649 sprintf(cc_txt,"total c: %d",my_info.cc);
650 d3_lattice_draw(&d3_l,x,y,z,24,arg_v,mode);
653 if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
655 sprintf(s_file_tmp,"%s_%d_of_%d",s_file,i,my_info.steps);
656 save_to_file(s_file_tmp,&d3_l,&my_info);
658 printf("saved %s\n",s_file_tmp);
665 if(strcmp(s_file,""))
667 printf("saved %s\n",s_file);
668 save_to_file(s_file,&d3_l,&my_info);
672 /* allocating buffer for pressure values */
673 if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL)
675 puts("cannot allocate buffer for pressure values");
679 calc_pressure(&d3_l,my_info.range);
681 while((quit==0) && (escape==0) && (nowait==0))
684 if(switchmode==0) mode=0;
685 if(switchmode==1) mode=1;
686 if(switchmode==2) mode=2;
688 sprintf(x_txt,"x: %d",x+1);
689 sprintf(y_txt,"y: %d",y+1);
690 sprintf(z_txt,"z: %d",z+1);
691 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');
692 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
693 strcpy(steps_txt,"step: end!");
694 sprintf(cc_txt,"total c: %d",my_info.cc);
695 if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
696 if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
697 if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
698 d3_lattice_draw(&d3_l,x,y,z,24,arg_v,mode);
699 scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode);
702 d3_lattice_release(&d3_l);