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;
71 int get_data_and_calc(t_event *event,void *allineed);
72 int nop(t_event *event,void *allineed);
77 printf("%s -i ip -p port -r/P/n/s random/profile/neloss/start file\n",prog);
82 * nlsop internal functions
85 int sputter(d3_lattice *d3_l)
90 size=d3_l->max_x*d3_l->max_y;
94 for(i=0;i<d3_l->max_z-1;i++)
96 memcpy(d3_l->status+offl,d3_l->status+offh,size);
97 memcpy(d3_l->extra+offl,d3_l->extra+offh,size*sizeof(int));
101 memset(d3_l->status+offl,0,size);
102 memset(d3_l->extra+offl,0,size);
107 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
115 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
116 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
117 //p=my_info->b*nel_z; // energieuebertrag prop zu nukl. bk
118 p=my_info->b*URAND_MAX; // konstanter energieuebertrag
119 for(i=-(my_info->range);i<=my_info->range;i++)
121 for(j=-(my_info->range);j<=my_info->range;j++)
125 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;
126 if(*(d3_l->status+off)&AMORPH) p+=my_info->s*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
130 p+=*conc*my_info->c*URAND_MAX;
131 if(p>=URAND_MAX) MAKE_AMORPH(thiz);
133 if(!(*thiz&AMORPH)) {
134 if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
137 /* assume 1-p probability */
138 /* also look for neighbours ! */
139 q=(URAND_MAX-p)>0?URAND_MAX-p:0;
141 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;
142 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;
143 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;
144 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;
145 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;
146 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;
150 if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
158 int distrib_c(d3_lattice *d3_l,info *my_info,int step,u32 rj_m,u32 *rj_g)
165 /* put one c ion somewhere in the lattice */
166 x=get_rand(d3_l->max_x);
167 y=get_rand(d3_l->max_y);
168 z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
169 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
172 if(step%my_info->diff_rate==0)
175 for(i=0;i<d3_l->max_x;i++)
177 for(j=0;j<d3_l->max_y;j++)
179 for(k=0;k<d3_l->max_z;k++)
181 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
182 /* case amorph: amorph <- cryst diffusion */
183 if(*(d3_l->status+offset)&AMORPH)
189 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;
191 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
194 *(d3_l->extra+offset)+=carry;
195 *(d3_l->extra+off)-=carry;
203 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;
205 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
208 *(d3_l->extra+offset)+=carry;
209 *(d3_l->extra+off)-=carry;
213 /* diff in z direction */
216 off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
218 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
221 *(d3_l->extra+off)-=carry;
222 *(d3_l->extra+offset)+=carry;
227 off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
229 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
232 *(d3_l->extra+off)-=carry;
233 *(d3_l->extra+offset)+=carry;
241 } /* if step modulo diff_rate == 0 */
246 u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
255 if((fd=open(file,O_RDONLY))<0)
257 puts("cannot open file to calculate rejection graph");
260 if((flag=(unsigned char *)malloc(d3_l->max_z))==NULL)
262 puts("cannot malloc flag memory for rejection graph");
265 memset(flag,0,d3_l->max_z);
266 memset(graph,0,d3_l->max_z*sizeof(u32));
273 k=read(fd,&buf[i],1);
274 if((buf[i]=='\n')||(k==0)) break;
279 a=atof(p)/10; /* nm */
282 if(a>d3_l->max_z*CELL_LENGTH) k=0;
285 graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
286 flag[(int)(a/CELL_LENGTH)]=1;
290 /* do (linear) interpolation here! */
298 while(flag[i]==0&&i<d3_l->max_z) i++;
299 for(k=j+1;k<i;k++) graph[k]=(int)((k-j)*((int)graph[i]-(int)graph[j])/(i-j))+graph[j];
300 if(graph[i]>max) max=graph[i];
305 #ifdef DEBUG_INTERPOL_PROFILE
306 printf("debug: %s (interpolated profile)\n",file);
307 for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
313 void send_data(int signum) {
316 unsigned char ack=DATA_OK;
318 c=gd3_l->max_x*gd3_l->max_y*gd3_l->max_z;
320 network_send_chan(gnet,0,&dc,1);
321 network_send_chan(gnet,0,(unsigned char *)gd3_l,sizeof(d3_lattice));
322 network_send_chan(gnet,0,(unsigned char *)gmy_info,sizeof(info));
323 network_send_chan(gnet,0,gd3_l->status,c*sizeof(unsigned char));
324 network_send_chan(gnet,0,(unsigned char *)gd3_l->extra,c*sizeof(int));
325 network_send_chan(gnet,0,(unsigned char *)gi,sizeof(int));
326 network_send_chan(gnet,0,&ack,sizeof(unsigned char));
328 if(dc==DC_QUIT) shut_down=1;
336 int main(int argc,char **argv)
343 unsigned char data[256];
349 strcpy(server_ip,"137.250.82.105");
350 strcpy(p_file,IMP_PROFILE);
351 strcpy(n_e_file,NEL_PROFILE);
357 /* parse/check argv */
358 for(i=1;i<argc;i++) {
359 if(argv[i][0]=='-') {
365 strncpy(server_ip,argv[++i],16);
368 strcpy(r_file,argv[++i]);
371 strcpy(p_file,argv[++i]);
374 strcpy(n_e_file,argv[++i]);
377 port=atoi(argv[++i]);
380 strcpy(s_file,argv[++i]);
388 if(!strcmp(server_ip,"")) {
393 /* try a file to start from */
394 if(strcmp(s_file,"")) {
395 start_fd=open(s_file,O_RDONLY);
396 if(start_fd>0) printf("using %s as a starting file ...\n",s_file);
397 else printf("errors opening %s!\n",s_file);
401 event_init(&event,1);
402 event_set_timeout(&event,0,0);
404 /* connect to server */
405 network_init(&net,1);
406 network_set_connection_info(&net,0,server_ip,port);
407 if(network_connect(&net,0)==N_E_CONNECT) {
408 printf("unable to connect to server, aborting ...\n");
411 network_select(&net,0);
413 /* tell server: i am a client, i may work for you */
414 data[0]=NLSOP_CLIENT;
415 network_send(net.connection[0].fd,data,1);
418 event_math(net.connection[0].fd,&event,READ,ADD);
419 printf("idle, waiting for jobs ...\n");
420 event_start(&event,NULL,get_data_and_calc,nop);
422 network_shutdown(&net);
423 if(start_fd>0) close(start_fd);
428 int nop(t_event *event,void *allineed) {
430 printf("\ni did a nop :)\n");
435 int get_data_and_calc(t_event *event,void *allineed) {
446 unsigned char do_sputter;
463 printf("got a new job ...\n");
465 /* get info (+data) */
466 network_receive(net->connection[0].fd,&data,sizeof(unsigned char));
467 if(data==NLSOP_NJOB || data==NLSOP_CJOB) {
468 network_receive(net->connection[0].fd,(unsigned char *)&d3_l,
470 network_receive(net->connection[0].fd,(unsigned char *)&my_info,
473 j=d3_l.max_x*d3_l.max_y*d3_l.max_z;
474 d3_l.status=(unsigned char *)malloc(j*sizeof(unsigned char));
475 if(d3_l.status==NULL) {
476 printf("status alloc failed\n");
479 d3_l.extra=(int *)malloc(j*sizeof(int));
480 if(d3_l.extra==NULL) {
481 printf("extra malloc failed\n");
484 if(data==NLSOP_CJOB) {
486 network_receive(net->connection[0].fd,d3_l.status,
487 j*sizeof(unsigned char));
488 network_send(net->connection[0].fd,&data,sizeof(unsigned char));
489 network_receive(net->connection[0].fd,(unsigned char *)d3_l.extra,
491 network_send(net->connection[0].fd,&data,sizeof(unsigned char));
492 network_receive(net->connection[0].fd,(unsigned char *)&c_step,
494 network_send(net->connection[0].fd,&data,sizeof(unsigned char));
497 printf("important: clear status/conc data!\n");
498 memset(d3_l.status,0,j*sizeof(unsigned char));
499 memset(d3_l.extra,0,j*sizeof(int));
501 /* check for file to start from ... */
503 printf("starting from a save file!\n");
504 unsigned char *nullbuf;
505 nullbuf=(unsigned char *)malloc(sizeof(d3_lattice));
506 if(read(start_fd,nullbuf,sizeof(d3_lattice))!=sizeof(d3_lattice)) {
507 printf("read failed (start file d3l)\n");
511 nullbuf=(unsigned char *)malloc(sizeof(info));
512 if(read(start_fd,nullbuf,sizeof(info))!=sizeof(info)) {
513 printf("read failed (start file info)\n");
517 if(read(start_fd,d3_l.status,j*sizeof(unsigned char))!=j*sizeof(unsigned char)) {
518 printf("read failed (start file status)\n");
521 if(read(start_fd,d3_l.extra,j*sizeof(int))!=j*sizeof(int)) {
522 printf("read failed (start file extra)\n");
528 printf("unknown instruction, restarting ...\n");
532 printf("starting simulation with following parameters:\n");
533 printf("b = %f | c = %f | s = %f\n",my_info.b,my_info.c,my_info.s);
534 printf("diff every %d steps | diff rate = %f\n",my_info.diff_rate,
536 printf("current step: %d | total steps: %d\n",c_step,my_info.steps);
539 /* care for signals */
541 signal(SIGTERM,send_data);
544 if(!strcmp(r_file,"")) rand_init(NULL);
545 else rand_init(r_file);
547 /* compute graphs for random number rejection method */
548 if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) {
549 puts("failed allocating memory for carbon profile graph");
552 if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) {
553 puts("failed allocating memory for nuclear energy loss graph");
556 ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile);
557 ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss);
559 /* array nel_z[] keeping nuclear energy loss values scaled to URAND_MAX */
560 nel_z=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int));
562 printf("failed allocating nel_z array mem\n");
565 for(i=0;i<d3_l.max_z;i++) nel_z[i]=URAND_MAX*(1.0*n_e_loss[i]/ne_max);
567 /* this should be obsolete - z is high enough - we check now! */
568 if(c_profile[d3_l.max_z-1]!=0) {
569 printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
573 /* sputtering really possible ?*/
574 if(n_e_loss[d3_l.max_z-1]!=0)
575 printf("warning: max_z (%d) too small, there may be amorphous volumes\n",
579 * start of simulation
583 while(i<my_info.steps) {
584 for(j=0;j<my_info.cpi;j++) {
585 x_c=get_rand(d3_l.max_x);
586 y_c=get_rand(d3_l.max_y);
587 z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
588 //z_c=get_rand(d3_l.max_z);
589 process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z[z_c]);
591 distrib_c(&d3_l,&my_info,i,ip_max,c_profile);
593 if(i%my_info.save_rate==0) {
598 if((do_sputter)&(i%my_info.s_rate==0)) sputter(&d3_l);
614 /* shutdown/free/close everything now ... */