4 * author: frank zirkelbach (frank.zirkelbach@physik.uni-augsburg.de)
6 * this program tries helping to understand the amorphous depuration
7 * and recrystallization of SiCx while ion implantation at temperatures
8 * below 400 degree celsius.
9 * hopefully the program will simulate the stabilization of the
10 * selforganizing lamella structure in the observed behaviour.
13 * - J. K. N. Lindner. Habil.Schrift, Universitaet Augsburg.
14 * - Maik Haeberlen. Diplomarbeit, Universitaet Augsburg.
16 * Copyright (C) 2004 Frank Zirkelbach
18 * This program is free software; you can redistribute it and/or modify
19 * it under the terms of the GNU General Public License as published by
20 * the Free Software Foundation; either version 2 of the License, or
21 * (at your option) any later version.
23 * This program is distributed in the hope that it will be useful,
24 * but WITHOUT ANY WARRANTY; without even the implied warranty of
25 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
26 * GNU General Public License for more details.
28 * You should have received a copy of the GNU General Public License
29 * along with this program; if not, write to the Free Software
30 * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
38 #include <sys/types.h>
52 #include "nlsop_general.h"
54 #define MAKE_AMORPH(N) *(N)|=AMORPH
55 #define MAKE_CRYST(N) *(N)&=~AMORPH
59 char p_file[MAX_CHARS];
60 char n_e_file[MAX_CHARS];
61 char r_file[MAX_CHARS];
62 char s_file[MAX_CHARS];
69 unsigned char shut_down;
72 int get_data_and_calc(t_event *event,void *allineed);
73 int nop(t_event *event,void *allineed);
78 printf("%s -i ip -p port -r/P/n/s random/profile/neloss/start file\n",prog);
83 * nlsop internal functions
86 int sputter(d3_lattice *d3_l)
91 size=d3_l->max_x*d3_l->max_y;
95 for(i=0;i<d3_l->max_z-1;i++)
97 memcpy(d3_l->status+offl,d3_l->status+offh,size);
98 memcpy(d3_l->extra+offl,d3_l->extra+offh,size*sizeof(int));
102 memset(d3_l->status+offl,0,size);
103 memset(d3_l->extra+offl,0,size);
108 int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
113 unsigned char buf[32];
117 if((p_fd=open(pfile,O_RDONLY))<0)
119 puts("cannot open profile file");
136 a=atof(p)/10; /* nm */
139 if(a<=d3_l->max_z*CELL_LENGTH) d+=b;
149 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
157 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
158 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
159 //p=my_info->b*nel_z; // energieuebertrag prop zu nukl. bk
160 p=my_info->b*URAND_MAX; // konstanter energieuebertrag
161 for(i=-(my_info->range);i<=my_info->range;i++)
163 for(j=-(my_info->range);j<=my_info->range;j++)
167 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;
168 if(*(d3_l->status+off)&AMORPH) p+=my_info->s*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
172 p+=*conc*my_info->c*URAND_MAX;
173 if(p>=URAND_MAX) MAKE_AMORPH(thiz);
175 if(!(*thiz&AMORPH)) {
176 if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
179 /* assume 1-p probability */
180 /* also look for neighbours ! */
181 q=(URAND_MAX-p)>0?URAND_MAX-p:0;
183 j+=(*(d3_l->status+((x+d3_l->max_x+1)%d3_l->max_x)+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
184 j+=(*(d3_l->status+((x+d3_l->max_x-1)%d3_l->max_x)+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
185 j+=(*(d3_l->status+x+((y+1+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
186 j+=(*(d3_l->status+x+((y-1+d3_l->max_y)%d3_l->max_y)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
187 j+=(*(d3_l->status+x+y*d3_l->max_x+((z+1+d3_l->max_z)%d3_l->max_z)*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
188 j+=(*(d3_l->status+x+y*d3_l->max_x+((z-1+d3_l->max_z)%d3_l->max_z)*d3_l->max_x*d3_l->max_y)&AMORPH)?1:0;
192 if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
200 int distrib_c(d3_lattice *d3_l,info *my_info,int step,u32 rj_m,u32 *rj_g)
207 /* put one c ion somewhere in the lattice */
208 if(c_ratio*step<=my_info->cc) {
209 x=get_rand(d3_l->max_x);
210 y=get_rand(d3_l->max_y);
211 z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
212 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
216 if(step%my_info->diff_rate==0)
219 for(i=0;i<d3_l->max_x;i++)
221 for(j=0;j<d3_l->max_y;j++)
223 for(k=0;k<d3_l->max_z;k++)
225 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
226 /* case amorph: amorph <- cryst diffusion */
227 if(*(d3_l->status+offset)&AMORPH)
233 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;
235 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
238 *(d3_l->extra+offset)+=carry;
239 *(d3_l->extra+off)-=carry;
247 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;
249 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
252 *(d3_l->extra+offset)+=carry;
253 *(d3_l->extra+off)-=carry;
257 /* diff in z direction */
260 off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
262 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
265 *(d3_l->extra+off)-=carry;
266 *(d3_l->extra+offset)+=carry;
271 off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
273 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
276 *(d3_l->extra+off)-=carry;
277 *(d3_l->extra+offset)+=carry;
285 } /* if step modulo diff_rate == 0 */
290 u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
299 if((fd=open(file,O_RDONLY))<0)
301 puts("cannot open file to calculate rejection graph");
304 if((flag=(unsigned char *)malloc(d3_l->max_z))==NULL)
306 puts("cannot malloc flag memory for rejection graph");
309 memset(flag,0,d3_l->max_z);
310 memset(graph,0,d3_l->max_z*sizeof(u32));
317 k=read(fd,&buf[i],1);
318 if((buf[i]=='\n')||(k==0)) break;
323 a=atof(p)/10; /* nm */
326 if(a>d3_l->max_z*CELL_LENGTH) k=0;
329 graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
330 flag[(int)(a/CELL_LENGTH)]=1;
334 /* do (linear) interpolation here! */
342 while(flag[i]==0&&i<d3_l->max_z) i++;
343 for(k=j+1;k<i;k++) graph[k]=(int)((k-j)*((int)graph[i]-(int)graph[j])/(i-j))+graph[j];
344 if(graph[i]>max) max=graph[i];
349 #ifdef DEBUG_INTERPOL_PROFILE
350 printf("debug: %s (interpolated profile)\n",file);
351 for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
357 void send_data(int signum) {
360 unsigned char ack=DATA_OK;
362 c=gd3_l->max_x*gd3_l->max_y*gd3_l->max_z;
364 network_send_chan(gnet,0,&dc,1);
365 network_send_chan(gnet,0,(unsigned char *)gd3_l,sizeof(d3_lattice));
366 network_send_chan(gnet,0,(unsigned char *)gmy_info,sizeof(info));
367 network_send_chan(gnet,0,gd3_l->status,c*sizeof(unsigned char));
368 network_send_chan(gnet,0,(unsigned char *)gd3_l->extra,c*sizeof(int));
369 network_send_chan(gnet,0,(unsigned char *)gi,sizeof(int));
370 network_send_chan(gnet,0,&ack,sizeof(unsigned char));
372 if(dc==DC_QUIT) shut_down=1;
380 int main(int argc,char **argv)
387 unsigned char data[256];
393 strcpy(server_ip,"137.250.82.105");
394 strcpy(p_file,IMP_PROFILE);
395 strcpy(n_e_file,NEL_PROFILE);
401 /* parse/check argv */
402 for(i=1;i<argc;i++) {
403 if(argv[i][0]=='-') {
409 strncpy(server_ip,argv[++i],16);
412 strcpy(r_file,argv[++i]);
415 strcpy(p_file,argv[++i]);
418 strcpy(n_e_file,argv[++i]);
421 port=atoi(argv[++i]);
424 strcpy(s_file,argv[++i]);
432 if(!strcmp(server_ip,"")) {
437 /* try a file to start from */
438 if(strcmp(s_file,"")) {
439 start_fd=open(s_file,O_RDONLY);
440 if(start_fd>0) printf("using %s as a starting file ...\n",s_file);
441 else printf("errors opening %s!\n",s_file);
445 event_init(&event,1);
446 event_set_timeout(&event,0,0);
448 /* connect to server */
449 network_init(&net,1);
450 network_set_connection_info(&net,0,server_ip,port);
451 if(network_connect(&net,0)==N_E_CONNECT) {
452 printf("unable to connect to server, aborting ...\n");
455 network_select(&net,0);
457 /* tell server: i am a client, i may work for you */
458 data[0]=NLSOP_CLIENT;
459 network_send(net.connection[0].fd,data,1);
462 event_math(net.connection[0].fd,&event,READ,ADD);
463 printf("idle, waiting for jobs ...\n");
464 event_start(&event,NULL,get_data_and_calc,nop);
466 network_shutdown(&net);
467 if(start_fd>0) close(start_fd);
472 int nop(t_event *event,void *allineed) {
474 printf("\ni did a nop :)\n");
479 int get_data_and_calc(t_event *event,void *allineed) {
490 unsigned char do_sputter;
508 printf("got a new job ...\n");
510 /* get info (+data) */
511 network_receive(net->connection[0].fd,&data,sizeof(unsigned char));
512 if(data==NLSOP_NJOB || data==NLSOP_CJOB) {
513 network_receive(net->connection[0].fd,(unsigned char *)&d3_l,
515 network_receive(net->connection[0].fd,(unsigned char *)&my_info,
518 j=d3_l.max_x*d3_l.max_y*d3_l.max_z;
519 d3_l.status=(unsigned char *)malloc(j*sizeof(unsigned char));
520 if(d3_l.status==NULL) {
521 printf("status alloc failed\n");
524 d3_l.extra=(int *)malloc(j*sizeof(int));
525 if(d3_l.extra==NULL) {
526 printf("extra malloc failed\n");
529 if(data==NLSOP_CJOB) {
531 network_receive(net->connection[0].fd,d3_l.status,
532 j*sizeof(unsigned char));
533 network_send(net->connection[0].fd,&data,sizeof(unsigned char));
534 network_receive(net->connection[0].fd,(unsigned char *)d3_l.extra,
536 network_send(net->connection[0].fd,&data,sizeof(unsigned char));
537 network_receive(net->connection[0].fd,(unsigned char *)&c_step,
539 network_send(net->connection[0].fd,&data,sizeof(unsigned char));
542 printf("important: clear status/conc data!\n");
543 memset(d3_l.status,0,j*sizeof(unsigned char));
544 memset(d3_l.extra,0,j*sizeof(int));
546 /* check for file to start from ... */
548 printf("starting from a save file!\n");
549 unsigned char *nullbuf;
550 nullbuf=(unsigned char *)malloc(sizeof(d3_lattice));
551 if(read(start_fd,nullbuf,sizeof(d3_lattice))!=sizeof(d3_lattice)) {
552 printf("read failed (start file d3l)\n");
556 nullbuf=(unsigned char *)malloc(sizeof(info));
557 if(read(start_fd,nullbuf,sizeof(info))!=sizeof(info)) {
558 printf("read failed (start file info)\n");
562 if(read(start_fd,d3_l.status,j*sizeof(unsigned char))!=j*sizeof(unsigned char)) {
563 printf("read failed (start file status)\n");
566 if(read(start_fd,d3_l.extra,j*sizeof(int))!=j*sizeof(int)) {
567 printf("read failed (start file extra)\n");
573 printf("unknown instruction, restarting ...\n");
577 printf("starting simulation with following parameters:\n");
578 printf("b = %f | c = %f | s = %f\n",my_info.b,my_info.c,my_info.s);
579 printf("diff every %d steps | diff rate = %f\n",my_info.diff_rate,
581 printf("current step: %d | total steps: %d\n",c_step,my_info.steps);
584 /* care for signals */
586 signal(SIGTERM,send_data);
589 if(!strcmp(r_file,"")) rand_init(NULL);
590 else rand_init(r_file);
592 /* compute graphs for random number rejection method */
593 if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) {
594 puts("failed allocating memory for carbon profile graph");
597 if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) {
598 puts("failed allocating memory for nuclear energy loss graph");
601 ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile);
602 ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss);
604 /* array nel_z[] keeping nuclear energy loss values scaled to URAND_MAX */
605 nel_z=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int));
607 printf("failed allocating nel_z array mem\n");
610 for(i=0;i<d3_l.max_z;i++) nel_z[i]=URAND_MAX*(1.0*n_e_loss[i]/ne_max);
612 /* this should be obsolete - z is high enough - we check now! */
613 if(c_profile[d3_l.max_z-1]!=0) {
614 printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
618 /* sputtering really possible ?*/
619 if(n_e_loss[d3_l.max_z-1]!=0)
620 printf("warning: max_z (%d) too small, there may be amorphous volumes\n",
623 /* maybe we need a ratio! */
625 get_c_ratio(&c_ratio,p_file,&my_info,&d3_l);
626 printf("calculated c ratio: %f\n",c_ratio);
630 * start of simulation
634 while(i<my_info.steps) {
635 for(j=0;j<my_info.cpi;j++) {
636 x_c=get_rand(d3_l.max_x);
637 y_c=get_rand(d3_l.max_y);
638 z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
639 //z_c=get_rand(d3_l.max_z);
640 process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z[z_c]);
642 distrib_c(&d3_l,&my_info,i,ip_max,c_profile);
644 if(i%my_info.save_rate==0) {
649 if((do_sputter)&(i%my_info.s_rate==0)) sputter(&d3_l);
665 /* shutdown/free/close everything now ... */