puts("-n \t\t no user interaction");
puts("-Z \t\t cryst -> amorph c diffusion in z direction");
puts("-i \t\t no cryst to cryst diffusion");
- printf("-x <value> \t # x cells (default %d)\n",X);
- printf("-y <value> \t # y cells (default %d)\n",Y);
- printf("-z <value> \t # z cells (default %d)\n",Z);
+ printf("-x <value> \t # x cells (default %d)\n",_X);
+ printf("-y <value> \t # y cells (default %d)\n",_Y);
+ printf("-z <value> \t # z cells (default %d)\n",_Z);
printf("-s <value> \t steps (default %d)\n",STEPS);
printf("-d <value> \t refresh display (default %d)\n",REFRESH);
printf("-r <value> \t amorphous influence range (default %d)\n",RANGE);
- printf("-f <value> \t pressure = <value> * 1/distance^2 (default %f)\n",A_AP);
- printf("-p <value> \t pressure offset (default %f)\n",B_AP);
- printf("-F <value> \t proportionality constant between c conc and ability to get amorphous (default %f)\n",A_CP);
+ printf("-f <value> \t stress induced amorphization influence (default %f)\n",S_D);
+ printf("-p <value> \t ballistic amorphization influence (default %f)\n",B_D);
+ printf("-F <value> \t carbon induced amorphization influence (default %f)\n",C_D);
printf("-D <value> \t diffusion rate from cryst to amorph cells (default %f)\n",DR_AC);
- printf("-c <value> \t diffusion rate in cryst cells (default %f)\n",DR_CC);
printf("-e <value> \t do diffusion every <value> steps (default %d)\n",DIFF_RATE);
puts("-g <file> <step> continue simulation from file and step (step > 0)!");
printf("-W <value> \t write every <value> steps to save file (default %d)\n",RESAVE);
puts("-P <file> \t specify implantation profile file");
puts("-N <file> \t specify nuclear energy loss profile file");
printf("-H <value> \t collisions per ion in simulation window (default %d)\n",CPI);
- puts("-m <value> \t specify c->a carbon saturation");
+ printf("-m <value> \t number of ion hits sputtering 3nm (default %d)\n",S_RATE);
return 1;
}
+int sputter(d3_lattice *d3_l)
+{
+ int i,size;
+ int offh,offl;
+
+ size=d3_l->max_x*d3_l->max_y;
+ offl=0;
+ offh=size;
+
+ for(i=0;i<d3_l->max_z-1;i++)
+ {
+ memcpy(d3_l->status+offl,d3_l->status+offh,size);
+ memcpy(d3_l->extra+offl,d3_l->extra+offh,size*sizeof(int));
+ offl=offh;
+ offh+=size;
+ }
+ memset(d3_l->status+offl,0,size);
+ memset(d3_l->extra+offl,0,size);
+
+ return 1;
+}
+
int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
{
unsigned char *thiz;
return 1;
}
-int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u32 *rj_g)
+int distrib_c(d3_lattice *d3_l,info *my_info,int step,u32 rj_m,u32 *rj_g)
{
u32 x,y,z;
int i,j,k,c;
int carry;
/* put one c ion somewhere in the lattice */
- if(my_info->cc<c_ratio*step)
- {
- x=get_rand(d3_l->max_x);
- y=get_rand(d3_l->max_y);
- z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
- *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
- (my_info->cc)++;
- }
+ x=get_rand(d3_l->max_x);
+ y=get_rand(d3_l->max_y);
+ z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
+ *(d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)+=1;
+ (my_info->cc)++;
if(step%my_info->diff_rate==0)
{
{
offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
/* case amorph: amorph <- cryst diffusion */
- if(*(d3_l->status+offset)&AMORPH && *(d3_l->extra+offset)<my_info->c_sat)
+ if(*(d3_l->status+offset)&AMORPH)
{
for(c=-1;c<=1;c++)
{
}
}
}
- if(my_info->z_diff)
- {
- if(k!=0)
- {
- off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
- carry=0;
- if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
- if(carry!=0)
- {
- *(d3_l->extra+off)-=carry;
- *(d3_l->extra+offset)+=carry;
- }
- }
- if(k!=d3_l->max_z-1)
- {
- off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
- carry=0;
- if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
- if(carry!=0)
- {
- *(d3_l->extra+off)-=carry;
- *(d3_l->extra+offset)+=carry;
- }
- }
- }
- } else
- /* case not amorph: cryst <-> cryst diffusion */
- if(my_info->c_diff) {
- /* if there is c diff, no diff in z-direction */
- {
- for(c=-1;c<=1;c++)
+ /* z diff */
+ if(k!=0)
{
- if(c!=0)
+ off=i+j*d3_l->max_x+(k-1)*d3_l->max_x*d3_l->max_y;
+ carry=0;
+ if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
+ if(carry!=0)
{
- 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;
- carry=0;
- if(!(*(d3_l->status+off)&AMORPH))
- {
- carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
- if(carry!=0)
- {
- *(d3_l->extra+offset)+=carry;
- *(d3_l->extra+off)-=carry;
- }
- }
+ *(d3_l->extra+off)-=carry;
+ *(d3_l->extra+offset)+=carry;
}
}
- for(c=-1;c<=1;c++)
+ if(k!=d3_l->max_z-1)
{
- if(c!=0)
+ off=i+j*d3_l->max_x+(k+1)*d3_l->max_x*d3_l->max_y;
+ carry=0;
+ if(!*(d3_l->status+off)&AMORPH) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
+ if(carry!=0)
{
- 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;
- carry=0;
- if(!(*(d3_l->status+off)&AMORPH))
- {
- carry=(int)(my_info->dr_cc*(*(d3_l->extra+off)-*(d3_l->extra+offset))/2);
- if(carry!=0)
- {
- *(d3_l->extra+offset)+=carry;
- *(d3_l->extra+off)-=carry;
- }
- }
+ *(d3_l->extra+off)-=carry;
+ *(d3_l->extra+offset)+=carry;
}
}
}
- /* end test */
- }
- /* */
} /* for z */
} /* for y */
} /* for x */
if(*(d3_l->status+offset)&AMORPH) count+=1;
}
}
+#ifndef MAC
if(ac_distr==4) dprintf(fd,"%d %d\n",z*CELL_LENGTH,count);
else dprintf(fd,"%d %f\n",z*CELL_LENGTH,100.0*count/si_count);
+#endif
}
close(fd);
int convert_file(char *cf,d3_lattice *d3_l)
{
+#ifndef MAC
int x,y,z;
int c_fd;
}
}
close(c_fd);
+#endif
return 1;
}
d3_lattice d3_l;
info my_info;
unsigned char mode;
- double c_ratio;
+ //double c_ratio;
#ifdef USE_DFB_API
int max_extra;
#endif
u32 ne_max,ip_max;
u32 nel_z;
- d3_l.max_x=X;
- d3_l.max_y=Y;
- d3_l.max_z=Z;
+ d3_l.max_x=_X;
+ d3_l.max_y=_Y;
+ d3_l.max_z=_Z;
my_info.steps=STEPS;
my_info.range=RANGE;
refresh=REFRESH;
resave=RESAVE;
- my_info.z_diff=0;
- my_info.c_diff=1;
- my_info.s=A_AP;
- my_info.b=B_AP;
- my_info.c=A_CP;
+ my_info.s=S_D;
+ my_info.b=B_D;
+ my_info.c=C_D;
my_info.cc=CC;
my_info.dr_ac=DR_AC;
- my_info.dr_cc=DR_CC;
my_info.diff_rate=DIFF_RATE;
my_info.cpi=CPI;
- my_info.c_sat=C_SAT;
+ my_info.s_rate=S_RATE;
nowait=0;
quit=0;
escape=0;
ne_max=0;
ip_max=0;
+#ifdef MORE_PRINTF
+ printf("reading argv ...");
+#endif
+
for(i=1;i<argc;i++)
{
if(argv[i][0]=='-')
case 'z':
d3_l.max_z=atoi(argv[++i]);
break;
- case 'Z':
- my_info.z_diff=1;
- break;
- case 'i':
- my_info.c_diff=0;
- my_info.dr_cc=0;
- break;
case 's':
my_info.steps=atoi(argv[++i]);
break;
case 'D':
my_info.dr_ac=atof(argv[++i]);
break;
- case 'c':
- my_info.dr_cc=atof(argv[++i]);
- break;
case 'e':
my_info.diff_rate=atoi(argv[++i]);
break;
my_info.cpi=atoi(argv[++i]);
break;
case 'm':
- my_info.c_sat=atoi(argv[++i]);
+ my_info.s_rate=atoi(argv[++i]);
break;
default:
usage();
} else usage();
}
+#ifdef MORE_PRINTF
+ printf(" done\n");
+#endif
+
x=d3_l.max_x/2-1;
y=d3_l.max_y/2-1;
z=d3_l.max_z/2-1;
}
#endif
+#ifdef MORE_PRINTF
+ printf("rand init ...");
+#endif
+
if(!strcmp(r_file,"")) rand_init(NULL);
else rand_init(r_file);
+#ifdef MORE_PRINTF
+ printf(" done\n");
+ printf("allocating data ...");
+#endif
+
if(!strcmp(l_file,""))
{
i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
convert_file(c_file,&d3_l);
puts("done");
return 1;
- }
+ }
#ifdef USE_DFB_API
else d3_lattice_init(&argc,argv,&d3_l);
#endif
}
+#ifdef MORE_PRINTF
+ printf(" done\n");
+#endif
+
#ifdef USE_DFB_API
d3_event_init(&d3_l);
#endif
sprintf(ballistic_txt,"ballistic term: %f",my_info.b);
sprintf(carbon_txt,"carbon term: %f",my_info.c);
sprintf(dr_ac_txt,"a/c diffusion rate: %f",my_info.dr_ac);
- if(my_info.c_diff!=0) sprintf(dr_cc_txt,"c/c diffusion rate: %f",my_info.dr_cc);
- else sprintf(dr_cc_txt,"c/c diffusion rate: none");
- sprintf(zdiff_txt,"diffusion in z direction: %c",my_info.z_diff?'y':'n');
+ sprintf(zdiff_txt,"diffusion in z direction: yes");
sprintf(diff_txt,"diffusion every %d steps",my_info.diff_rate);
strcpy(mode_txt,"view: a/c mode");
sprintf(hpi_txt,"hits per ion: %d",my_info.cpi);
- sprintf(csat_txt,"carbon saturation: %d",my_info.c_sat);
+ sprintf(csat_txt,"sputter rate (3nm/#c): %d",my_info.s_rate);
arg_v[1]=mode_txt;
arg_v[2]=xyz_txt;
arg_v[3]=status_txt;
arg_v[25]=NULL;
#endif
+#ifdef MORE_PRINTF
+ printf("random rejection graphs ...");
+#endif
+
/* compute graphs for random number rejection method */
if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
{
ip_max=get_reject_graph(&my_info,&d3_l,p_file,c_profile);
ne_max=get_reject_graph(&my_info,&d3_l,n_e_file,n_e_loss);
+#ifdef MORE_PRINTF
+ printf(" done\n");
+#endif
+
+
if((!strcmp(l_file,""))||(c_step))
{
- /* calculate ratio of c_simwindow / c_total */
- if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
+
+ /* this should be obsolete - z is high enough - we check now! */
+ if(c_profile[d3_l.max_z-1]!=0)
{
- puts("failed calculating ratio");
+ printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
return -1;
}
+ /* calculate ratio of c_simwindow / c_total */
+ //if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
+ //{
+ // puts("failed calculating ratio");
+ // return -1;
+ //}
+
+ /* sputtering realy possible ?*/
+ if(n_e_loss[d3_l.max_z-1]!=0)
+ printf("warning: max_z (%d) too small - there may be amorphous volumes\n",d3_l.max_z);
#ifdef DEBUG_RAND
i=0;
}
#endif
+#ifdef MORE_PRINTF
+ printf("starting simulation ... now! :)\n");
+#endif
+
i=(c_step?c_step:0);
while((i<my_info.steps) && (quit==0) && (escape==0))
{
+#ifdef MORE_PRINTF
+ if(i%refresh==0) printf("step: %d\n",i);
+#endif
for(j=0;j<my_info.cpi;j++)
{
x_c=get_rand(d3_l.max_x);
nel_z=URAND_MAX*(1.0*n_e_loss[z_c]/ne_max);
process_cell(&d3_l,x_c,y_c,z_c,&my_info,nel_z);
}
- distrib_c(&d3_l,&my_info,i,c_ratio,ip_max,c_profile);
+ distrib_c(&d3_l,&my_info,i,ip_max,c_profile);
#ifdef USE_DFB_API
if(i%refresh==0)
{
#endif
}
i++;
+ if(i%my_info.s_rate==0) sputter(&d3_l);
}
}
projects / physik / nlsop.git / blobdiff