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 printf("-a <value> \t slope of nuclear energy loss (default %f)\n",A_EL);
38 printf("-b <value> \t nuclear energy loss offset (default %f)\n",B_EL);
39 printf("-x <value> \t # x cells (default %d)\n",X);
40 printf("-y <value> \t # y cells (default %d)\n",Y);
41 printf("-z <value> \t # z cells (default %d)\n",Z);
43 printf("-X <value> \t display x (default %d)\n",X/2-1);
44 printf("-Y <value> \t display y (default %d)\n",Y/2-1);
45 printf("-Z <value> \t display z (default %d)\n",Z/2-1);
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("-A <value> \t slope of linear c distribution (default %f)\n",A_CD);
53 printf("-B <value> \t linear c distribution offset (default %f)\n",B_CD);
55 printf("-C <value> \t initial c concentration (default %d)\n",CC);
57 printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",D_R);
58 printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
59 puts("-C <file> \t convert file to gnuplot format");
60 puts("-L <file> \t load from file");
61 puts("-S <file> \t save to file");
62 puts("-R <file> \t read from random file");
67 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,int r,double a,double b,int *t_c)
75 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
76 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
84 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;
85 if(*(d3_l->status+off)&AMORPH) p+=a*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
89 // printf("debug: p = %f\n",p);
92 if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
95 /* assume 1-p probability */
96 if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
104 int distrib_c(d3_lattice *d3_l,double d_r,double a,double b)
111 /* put one c ion somewhere in the lattice */
112 x=get_rand(d3_l->max_x);
113 y=get_rand(d3_l->max_y);
114 z=get_rand_lgp(d3_l->max_z,a,b);
115 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
117 /* diffusion in layer */
118 for(i=0;i<d3_l->max_x;i++)
120 for(j=0;j<d3_l->max_y;j++)
122 for(k=0;k<d3_l->max_z;k++)
124 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
126 if(*(d3_l->status+offset)&AMORPH)
128 /* look at neighbours and move c ions */
133 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;
135 /* case neighbour not amorph */
136 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(d_r*(*(d3_l->extra+off)));
137 /* case neighbour amorph */
139 * no diffusion between amorphous cells
141 else carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
145 *(d3_l->extra+offset)+=carry;
146 *(d3_l->extra+off)-=carry;
154 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;
156 /* case neighbour not amorph */
157 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(d_r*(*(d3_l->extra+off)));
158 /* case neighbour amorph */
161 * no diffusion between amorphous cells
163 else carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
167 *(d3_l->extra+offset)+=carry;
168 *(d3_l->extra+off)-=carry;
173 /* case not amorph */
175 /* look at neighbours and move c ions */
180 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;
182 /* case neighbour not amorph */
183 if(!(*(d3_l->status+off)&AMORPH))
185 carry=(*(d3_l->extra+off)-*(d3_l->extra+offset))/2;
188 *(d3_l->extra+offset)+=carry;
189 *(d3_l->extra+off)-=carry;
202 int distrib_c_old(d3_lattice *d3_l,int t_c,double a,double b)
204 int i,j,k,total,area;
210 area=d3_l->max_x*d3_l->max_y;
211 area_h=(int *)malloc(d3_l->max_z*sizeof(int));
214 sum=b*d3_l->max_z+a*d3_l->max_z*(d3_l->max_z+1)/2;
215 for(i=0;i<d3_l->max_z;i++)
220 if(!(*(d3_l->status+(i*area)+j)&AMORPH))
225 temp=(int)((i+1)*a+b)*t_c/(sum*area_h[i]);
228 if(!(*(d3_l->status+(i*area)+j)&AMORPH))
230 *(d3_l->extra+(i*area)+j)=temp;
234 left=(int)(((i+1)*a+b)*t_c/sum)%area_h[i];
237 x=get_rand(d3_l->max_x);
238 y=get_rand(d3_l->max_y);
239 if(!(*(d3_l->status+(i*area)+x+y*d3_l->max_x)&AMORPH))
241 *(d3_l->extra+(i*area)+x+y*d3_l->max_x)+=1;
250 x=get_rand(d3_l->max_x);
251 y=get_rand(d3_l->max_y);
252 z=get_rand_lgp(d3_l->max_z,a,b);
253 if(!(*(d3_l->status+x+y*d3_l->max_x+z*area)&AMORPH))
255 *(d3_l->extra+x+y*d3_l->max_x+z*area)+=1;
264 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
268 if((sf_fd=open(sf,O_WRONLY|O_CREAT))<0)
270 puts("cannot open save file");
273 if(write(sf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
275 puts("failed saving d3 lattice struct");
278 if(write(sf_fd,my_inf,sizeof(info))<sizeof(info))
280 puts("failed saving info struct");
283 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
284 if(write(sf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
286 puts("failed saving status of d3 lattice sites");
289 if(write(sf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
291 puts("failed saving sites concentration");
299 int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
303 if((lf_fd=open(lf,O_RDONLY))<0)
305 puts("cannot open load file");
308 if(read(lf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
310 puts("failed reading d3 lattice struct");
313 if(read(lf_fd,my_inf,sizeof(info))<sizeof(info))
315 puts("failed reading info struct");
318 c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
319 if((d3_l->status=(unsigned char*)malloc(c*sizeof(unsigned char)))==NULL)
321 puts("cannot allocate status buffer");
324 if((d3_l->extra=(int *)malloc(c*sizeof(int)))==NULL)
326 puts("cannot allocate concentration buffer");
329 if(read(lf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
331 puts("failed reading status of d3 lattice sites");
334 if(read(lf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
336 puts("failed reading sites concentration");
344 int convert_file(char *cf,d3_lattice *d3_l)
349 if((c_fd=open(cf,O_WRONLY|O_CREAT))<0)
351 puts("cannot open convert file");
354 dprintf(c_fd,"# created by nlsop (gnuplot format)\n");
355 for(x=0;x<d3_l->max_x;x++)
357 for(y=0;y<d3_l->max_y;y++)
359 for(z=0;z<d3_l->max_z;z++)
361 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);
370 int main(int argc,char **argv)
372 u32 x,y,z,x_c,y_c,z_c;
373 int i,quit,escape,nowait;
375 char s_file[MAX_CHARS];
376 char s_file_tmp[MAX_CHARS];
377 char l_file[MAX_CHARS];
378 char c_file[MAX_CHARS];
380 char r_file[MAX_CHARS];
385 char status_txt[MAX_TXT];
386 char conc_txt[MAX_TXT];
387 char steps_txt[MAX_TXT];
388 char cc_txt[MAX_TXT];
391 char ap_txt[MAX_TXT];
392 char el_txt[MAX_TXT];
393 char cd_txt[MAX_TXT];
395 char ap2_txt[MAX_TXT];
396 char cd2_txt[MAX_TXT];
397 char el2_txt[MAX_TXT];
398 char dr_txt[MAX_TXT];
399 char *arg_v[MAX_ARGV];
441 my_info.a_el=atof(argv[++i]);
444 my_info.b_el=atof(argv[++i]);
447 d3_l.max_x=atoi(argv[++i]);
450 d3_l.max_y=atoi(argv[++i]);
453 d3_l.max_z=atoi(argv[++i]);
467 my_info.steps=atoi(argv[++i]);
470 refresh=atoi(argv[++i]);
473 my_info.range=atoi(argv[++i]);
476 my_info.a_ap=atof(argv[++i]);
479 my_info.b_ap=atof(argv[++i]);
482 my_info.a_cd=atof(argv[++i]);
485 my_info.b_cd=atof(argv[++i]);
489 my_info.cc=atoi(argv[++i]);
493 resave=atoi(argv[++i]);
496 strcpy(l_file,argv[++i]);
497 if(i<argc-1) if(argv[i+1][0]!='-') strcpy(c_file,argv[++i]);
501 my_info.d_r=atof(argv[++i]);
504 strcpy(l_file,argv[++i]);
507 strcpy(s_file,argv[++i]);
510 strcpy(r_file,argv[++i]);
524 if(!strcmp(s_file,""))
526 puts("NODFB defined, run with -S option");
531 if(!strcmp(r_file,"")) rand_init(NULL);
532 else rand_init(r_file);
534 if(!strcmp(l_file,""))
536 i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
538 d3_lattice_init(&argc,argv,&d3_l);
540 if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL)
542 puts("failed allocating status buffer");
545 memset(d3_l.status,0,i*sizeof(unsigned char));
546 if((d3_l.extra=(int *)malloc(i*sizeof(int)))==NULL)
548 puts("failed allocating concentration buffer");
551 memset(d3_l.extra,0,i*sizeof(int));
554 load_from_file(l_file,&d3_l,&my_info);
557 if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file);
558 printf("converting file %s to %s\n",l_file,c_file);
559 convert_file(c_file,&d3_l);
564 else d3_lattice_init(&argc,argv,&d3_l);
569 d3_event_init(&d3_l);
573 strcpy(a_txt,"args:");
574 sprintf(s_txt,"steps: %d",my_info.steps);
575 sprintf(r_txt,"pressure range: %d",my_info.range);
576 sprintf(ap_txt,"pressure faktor: %.2f",my_info.a_ap);
577 sprintf(ap2_txt,"pressure offset: %.2f",my_info.b_ap);
578 sprintf(el_txt,"energy loss slope: %.2f",my_info.a_el);
579 sprintf(el2_txt,"energy loss offset: %.2f",my_info.b_el);
580 sprintf(cd_txt,"c distrib slope: %.2f",my_info.a_cd);
581 sprintf(cd2_txt,"c distrib offset: %.2f",my_info.b_cd);
582 sprintf(dr_txt,"diffusion rate: %.2f",my_info.d_r);
592 arg_v[10]=steps_txt;;
609 if(!strcmp(l_file,""))
612 while((i<my_info.steps) && (quit==0) && (escape==0))
614 x_c=get_rand(d3_l.max_x);
615 y_c=get_rand(d3_l.max_y);
616 z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
617 distrib_c(&d3_l,my_info.d_r,my_info.a_cd,my_info.b_cd);
618 process_cell(&d3_l,x_c,y_c,z_c,my_info.range,my_info.a_ap,my_info.b_ap,&(my_info.cc));
622 sprintf(x_txt,"x: %d",x+1);
623 sprintf(y_txt,"y: %d",y+1);
624 sprintf(z_txt,"z: %d",z+1);
625 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');
626 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
627 sprintf(steps_txt,"step: %d",i);
628 sprintf(cc_txt,"total c: %d",my_info.cc);
629 d3_lattice_draw(&d3_l,x,y,z,24,arg_v);
632 if(i%resave==0 && strcmp(s_file,"") && resave!=0)
634 sprintf(s_file_tmp,"%s_%d_of_%d",s_file,i,my_info.steps);
635 save_to_file(s_file_tmp,&d3_l,&my_info);
637 printf("saved %s\n",s_file_tmp);
644 if(strcmp(s_file,""))
646 printf("saved %s\n",s_file);
647 save_to_file(s_file,&d3_l,&my_info);
651 while((quit==0) && (escape==0) && (nowait==0))
653 sprintf(x_txt,"x: %d",x+1);
654 sprintf(y_txt,"y: %d",y+1);
655 sprintf(z_txt,"z: %d",z+1);
656 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');
657 sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
658 strcpy(steps_txt,"step: end!");
659 sprintf(cc_txt,"total c: %d",my_info.cc);
660 d3_lattice_draw(&d3_l,x,y,z,24,arg_v);
661 scan_event(&d3_l,&x,&y,&z,&quit,&escape);
664 d3_lattice_release(&d3_l);