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 #define MAKE_AMORPH(N) *(N)|=AMORPH
53 #define MAKE_CRYST(N) *(N)&=~AMORPH
55 #define NLSOP_CLIENT 'c'
56 #define NLSOP_NJOB 'N'
57 #define NLSOP_CJOB 'C'
61 char p_file[MAX_CHARS];
62 char n_e_file[MAX_CHARS];
63 char r_file[MAX_CHARS];
70 int get_data_and_calc(t_event *event,void *allineed);
75 printf("%s -i ip -p port -r/P/n random/profile/neloss file\n",prog);
80 * nlsop internal functions
83 int sputter(d3_lattice *d3_l)
88 size=d3_l->max_x*d3_l->max_y;
92 for(i=0;i<d3_l->max_z-1;i++)
94 memcpy(d3_l->status+offl,d3_l->status+offh,size);
95 memcpy(d3_l->extra+offl,d3_l->extra+offh,size*sizeof(int));
99 memset(d3_l->status+offl,0,size);
100 memset(d3_l->extra+offl,0,size);
105 int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
113 thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
114 conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
116 for(i=-(my_info->range);i<=my_info->range;i++)
118 for(j=-(my_info->range);j<=my_info->range;j++)
122 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;
123 if(*(d3_l->status+off)&AMORPH) p+=my_info->s*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
127 p+=*conc*my_info->c*URAND_MAX;
130 if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
133 /* assume 1-p probability */
134 /* also look for neighbours ! */
135 q=(URAND_MAX-p)>0?URAND_MAX-p:0;
137 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;
138 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;
139 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;
140 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;
141 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;
142 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;
145 if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
151 int distrib_c(d3_lattice *d3_l,info *my_info,int step,u32 rj_m,u32 *rj_g)
158 /* put one c ion somewhere in the lattice */
159 x=get_rand(d3_l->max_x);
160 y=get_rand(d3_l->max_y);
161 z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
162 *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
165 if(step%my_info->diff_rate==0)
168 for(i=0;i<d3_l->max_x;i++)
170 for(j=0;j<d3_l->max_y;j++)
172 for(k=0;k<d3_l->max_z;k++)
174 offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
175 /* case amorph: amorph <- cryst diffusion */
176 if(*(d3_l->status+offset)&AMORPH)
182 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;
184 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
187 *(d3_l->extra+offset)+=carry;
188 *(d3_l->extra+off)-=carry;
196 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;
198 if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
201 *(d3_l->extra+offset)+=carry;
202 *(d3_l->extra+off)-=carry;
210 off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
212 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
215 *(d3_l->extra+off)-=carry;
216 *(d3_l->extra+offset)+=carry;
221 off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
223 if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
226 *(d3_l->extra+off)-=carry;
227 *(d3_l->extra+offset)+=carry;
236 } /* if step modulo diff_rate == 0 */
241 u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
250 if((fd=open(file,O_RDONLY))<0)
252 puts("cannot open file to calculate rejection graph");
255 if((flag=(unsigned char *)malloc(d3_l->max_z))==NULL)
257 puts("cannot malloc flag memory for rejection graph");
260 memset(flag,0,d3_l->max_z);
261 memset(graph,0,d3_l->max_z*sizeof(u32));
268 k=read(fd,&buf[i],1);
269 if((buf[i]=='\n')||(k==0)) break;
274 a=atof(p)/10; /* nm */
277 if(a>d3_l->max_z*CELL_LENGTH) k=0;
280 graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
281 flag[(int)(a/CELL_LENGTH)]=1;
285 /* do (linear) interpolation here! */
293 while(flag[i]==0&&i<d3_l->max_z) i++;
294 for(k=j+1;k<i;k++) graph[k]=(int)((k-j)*((int)graph[i]-(int)graph[j])/(i-j))+graph[j];
295 if(graph[i]>max) max=graph[i];
300 #ifdef DEBUG_INTERPOL_PROFILE
301 printf("debug: %s (interpolated profile)\n",file);
302 for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
308 void send_data(int signum) {
312 c=gd3_l->max_x*gd3_l->max_y*gd3_l->max_z;
314 network_send(gnet->connection[0].fd,&dc,1);
316 network_send(gnet->connection[0].fd,(unsigned char *)gd3_l,
318 network_send(gnet->connection[0].fd,(unsigned char *)gmy_info,sizeof(info));
320 network_send(gnet->connection[0].fd,gd3_l->status,c*sizeof(unsigned char));
321 network_send(gnet->connection[0].fd,(unsigned char *)gd3_l->extra,
323 network_send(gnet->connection[0].fd,(unsigned char *)gi,sizeof(int));
332 int main(int argc,char **argv)
339 unsigned char data[256];
345 strcpy(server_ip,"");
346 strcpy(p_file,IMP_PROFILE);
347 strcpy(n_e_file,NEL_PROFILE);
351 /* parse/check argv */
352 for(i=1;i<argc;i++) {
353 if(argv[i][0]=='-') {
359 strncpy(server_ip,argv[++i],16);
362 strcpy(r_file,argv[++i]);
365 strcpy(p_file,argv[++i]);
368 strcpy(n_e_file,argv[++i]);
371 port=atoi(argv[++i]);
379 if(!strcmp(server_ip,"")) {
385 event_init(&event,1);
386 event_set_timeout(&event,0,0);
388 /* connect to server */
389 network_init(&net,1);
390 network_set_connection_info(&net,0,server_ip,port);
391 if(network_connect(&net,0)==N_E_CONNECT) {
392 printf("unable to connect to server, aborting ...\n");
395 network_select(&net,0);
397 /* tell server: i am a client, i may work for you */
398 data[0]=NLSOP_CLIENT;
399 network_send(net.connection[0].fd,data,1);
402 event_math(net.connection[0].fd,&event,READ,ADD);
403 event_start(&event,NULL,get_data_and_calc,NULL);
408 int get_data_and_calc(t_event *event,void *allineed) {
420 #define DC_QUIT (1<<0)
422 #define DC_END (1<<2)
423 unsigned char data[256];
438 /* get info (+data) */
439 network_receive(net->connection[0].fd,data,1);
440 if(data[0]==NLSOP_NJOB || data[0]==NLSOP_CJOB) {
441 network_receive(net->connection[0].fd,(unsigned char *)&d3_l,
443 network_receive(net->connection[0].fd,(unsigned char *)&my_info,
446 j=d3_l.max_x*d3_l.max_y*d3_l.max_z;
447 d3_l.status=(unsigned char *)malloc(j*sizeof(unsigned char));
448 if(d3_l.status==NULL) {
449 printf("status alloc failed\n");
452 d3_l.extra=(int *)malloc(j*sizeof(int));
453 if(d3_l.extra==NULL) {
454 printf("extra malloc failed\n");
457 if(data[0]==NLSOP_CJOB) {
458 network_receive(net->connection[0].fd,d3_l.status,
459 j*sizeof(unsigned char));
460 network_receive(net->connection[0].fd,(unsigned char *)d3_l.extra,
462 network_receive(net->connection[0].fd,(unsigned char *)&c_step,
467 /* care for signals */
469 signal(SIGTERM,send_data);
472 if(!strcmp(r_file,"")) rand_init(NULL);
473 else rand_init(r_file);
475 /* compute graphs for random number rejection method */
476 if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) {
477 puts("failed allocating memory for carbon profile graph");
480 if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL) {
481 puts("failed allocating memory for nuclear energy loss graph");
484 ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile);
485 ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss);
487 /* array nel_z[] keeping nuclear energy loss values scaled to URAND_MAX */
488 nel_z=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int));
490 printf("failed allocating nel_z array mem\n");
493 for(i=0;i<d3_l.max_z;i++) nel_z[i]=URAND_MAX*(1.0*n_e_loss[i]/ne_max);
495 /* this should be obsolete - z is high enough - we check now! */
496 if(c_profile[d3_l.max_z-1]!=0) {
497 printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
501 /* sputtering really possible ?*/
502 if(n_e_loss[d3_l.max_z-1]!=0)
503 printf("warning: max_z (%d) too small, there may be amorphous volumes\n",
507 * start of simulation
511 while(i<my_info.steps) {
512 for(j=0;j<my_info.cpi;j++) {
513 x_c=get_rand(d3_l.max_x);
514 y_c=get_rand(d3_l.max_y);
515 // z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
516 z_c=get_rand(d3_l.max_z);
517 process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z[z_c]);
519 distrib_c(&d3_l,&my_info,i,ip_max,c_profile);
520 if(i%resave==0 && i!=0) {
526 if(i%my_info.s_rate==0) sputter(&d3_l);
534 /* shutdown/free/close everything now ... */