* selforganizing lamella structure in the observed behaviour.
*
* refs:
- * - J. K. N. Lindner. Habilationsschrift, Universitaet Augsburg.
+ * - J. K. N. Lindner. Habil.Schrift, Universitaet Augsburg.
* - Maik Haeberlen. Diplomarbeit, Universitaet Augsburg.
*
* Copyright (C) 2004 Frank Zirkelbach
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("-a <value> \t slope of nuclear energy loss (default %f)\n",A_EL);
- printf("-b <value> \t nuclear energy loss offset (default %f)\n",B_EL);
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("-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("-A <value> \t slope of linear c distribution (default %f)\n",A_CD);
- printf("-B <value> \t linear c distribution offset (default %f)\n",B_CD);
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);
return 1;
}
-int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
+int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
{
unsigned char *thiz;
int *conc;
int i,j;
int off;
- double p;
+ double p,q;
thiz=d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
conc=d3_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
- p=my_info->b_ap*URAND_MAX;
+ p=my_info->b_ap*nel_z;
for(i=-(my_info->range);i<=my_info->range;i++)
{
for(j=-(my_info->range);j<=my_info->range;j++)
} else
{
/* assume 1-p probability */
+ /* also look for neighbours ! */
+ q=(URAND_MAX-p)>0?URAND_MAX-p:0;
+ j=0;
+ 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;
+ 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;
+ 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;
+ 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;
+ 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;
+ 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;
+
+ p+=((q/6)*j);
if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
}
{
int fd,x,y,z;
int count,offset;
- char file[16];
-
- if(ac_distr==1) strcpy(file,"a.plot");
- if(ac_distr==2) strcpy(file,"c.plot");
- if(ac_distr==3) strcpy(file,"b.plot");
+ char file[32];
+ int si_count;
+
+ si_count=d3_l->max_x*d3_l->max_y*SI_PER_VOLUME;
+ if(ac_distr==1) strcpy(file,"carbon_in_av.plot");
+ if(ac_distr==2) strcpy(file,"carbon_in_cv.plot");
+ if(ac_distr==3) strcpy(file,"carbon.plot");
+ if(ac_distr==4) strcpy(file,"amorphous_volumes.plot");
if((fd=open(file,O_WRONLY|O_CREAT))<0)
{
if(ac_distr==2)
if(!(*(d3_l->status+offset)&AMORPH)) count+=*(d3_l->extra+offset);
if(ac_distr==3) count+=*(d3_l->extra+offset);
+ if(ac_distr==4)
+ if(*(d3_l->status+offset)&AMORPH) count+=1;
}
}
- dprintf(fd,"%d %d\n",z,count);
+ 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);
}
close(fd);
width=d3_l->max_x;
height=d3_l->max_y;
}
-
+ if(window==7)
+ {
+ sprintf(bmpfile,"x-z_a_cdistr_%d.bmp",y);
+ foo=3*d3_l->max_x;
+ size=(foo+(4-foo%4))*d3_l->max_z;
+ height=d3_l->max_z;
+ width=d3_l->max_x;
+ }
+ if(window==8)
+ {
+ sprintf(bmpfile,"y-z_a_cdistr_%d.bmp",x);
+ foo=3*d3_l->max_y;
+ size=(foo+(4-foo%4))*d3_l->max_z;
+ height=d3_l->max_z;
+ width=d3_l->max_y;
+ }
+ if(window==9)
+ {
+ sprintf(bmpfile,"x-y_a_cdistr_%d.bmp",z);
+ foo=3*d3_l->max_x;
+ size=(foo+(4-foo%4))*d3_l->max_y;
+ height=d3_l->max_y;
+ width=d3_l->max_x;
+ }
+ if(window==10)
+ {
+ sprintf(bmpfile,"x-z_c_cdistr_%d.bmp",y);
+ foo=3*d3_l->max_x;
+ size=(foo+(4-foo%4))*d3_l->max_z;
+ height=d3_l->max_z;
+ width=d3_l->max_x;
+ }
+ if(window==11)
+ {
+ sprintf(bmpfile,"y-z_c_cdistr_%d.bmp",x);
+ foo=3*d3_l->max_y;
+ size=(foo+(4-foo%4))*d3_l->max_z;
+ height=d3_l->max_z;
+ width=d3_l->max_y;
+ }
+ if(window==12)
+ {
+ sprintf(bmpfile,"x-y_c_cdistr_%d.bmp",z);
+ foo=3*d3_l->max_x;
+ size=(foo+(4-foo%4))*d3_l->max_y;
+ height=d3_l->max_y;
+ width=d3_l->max_x;
+ }
if((fd=open(bmpfile,O_WRONLY|O_CREAT))<0)
{
puts("cannot open bmp file");
}
if(window==6)
{
- for(j=0;j<d3_l->max_z;j++)
+ for(j=0;j<d3_l->max_y;j++)
{
for(i=0;i<d3_l->max_x;i++)
{
}
}
}
+ if(window==7)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ if(*(d3_l->status+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+ else sum=0;
+ sum=sum*255/max;
+ memset(buf,(unsigned char)sum,3);
+ if(write(fd,buf,3)<3)
+ {
+ puts("failed writing rgb values to bmp file");
+ return-1;
+ }
+ }
+ if(foo%4)
+ {
+ memset(buf,0,4-foo%4);
+ if(write(fd,buf,4-foo%4)<4-foo%4)
+ {
+ puts("failed writing 4 byte ending");
+ return -1;
+ }
+ }
+ }
+ }
+ if(window==8)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ if(*(d3_l->status+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+ else sum=0;
+ sum=sum*255/max;
+ memset(buf,(unsigned char)sum,3);
+ if(write(fd,buf,3)<3)
+ {
+ puts("failed writing rgb values to bmp file");
+ return-1;
+ }
+ }
+ if(foo%4)
+ {
+ memset(buf,0,4-foo%4);
+ if(write(fd,buf,4-foo%4)<4-foo%4)
+ {
+ puts("failed writing 4 byte ending");
+ return -1;
+ }
+ }
+ }
+ }
+ if(window==9)
+ {
+ for(j=0;j<d3_l->max_y;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ if(*(d3_l->status+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
+ else sum=0;
+ sum=sum*255/max;
+ memset(buf,(unsigned char)sum,3);
+ if(write(fd,buf,3)<3)
+ {
+ puts("failed writing rgb values to bmp file");
+ return-1;
+ }
+ }
+ if(foo%4)
+ {
+ memset(buf,0,4-foo%4);
+ if(write(fd,buf,4-foo%4)<4-foo%4)
+ {
+ puts("failed writing 4 byte ending");
+ return -1;
+ }
+ }
+ }
+ }
+ if(window==10)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ if(!(*(d3_l->status+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED)) sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+ else sum=0;
+ sum=sum*255/max;
+ memset(buf,(unsigned char)sum,3);
+ if(write(fd,buf,3)<3)
+ {
+ puts("failed writing rgb values to bmp file");
+ return-1;
+ }
+ }
+ if(foo%4)
+ {
+ memset(buf,0,4-foo%4);
+ if(write(fd,buf,4-foo%4)<4-foo%4)
+ {
+ puts("failed writing 4 byte ending");
+ return -1;
+ }
+ }
+ }
+ }
+ if(window==11)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ if(!(*(d3_l->status+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED)) sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+ else sum=0;
+ sum=sum*255/max;
+ memset(buf,(unsigned char)sum,3);
+ if(write(fd,buf,3)<3)
+ {
+ puts("failed writing rgb values to bmp file");
+ return-1;
+ }
+ }
+ if(foo%4)
+ {
+ memset(buf,0,4-foo%4);
+ if(write(fd,buf,4-foo%4)<4-foo%4)
+ {
+ puts("failed writing 4 byte ending");
+ return -1;
+ }
+ }
+ }
+ }
+ if(window==12)
+ {
+ for(j=0;j<d3_l->max_y;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ if(!(*(d3_l->status+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&RED)) sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
+ else sum=0;
+ sum=sum*255/max;
+ memset(buf,(unsigned char)sum,3);
+ if(write(fd,buf,3)<3)
+ {
+ puts("failed writing rgb values to bmp file");
+ return-1;
+ }
+ }
+ if(foo%4)
+ {
+ memset(buf,0,4-foo%4);
+ if(write(fd,buf,4-foo%4)<4-foo%4)
+ {
+ puts("failed writing 4 byte ending");
+ return -1;
+ }
+ }
+ }
+ }
close(fd);
return 1;
int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
{
- int lf_fd,c;
+
+ int lf_fd,c,pos,end,data,data_len,strip;
if((lf_fd=open(lf,O_RDONLY))<0)
{
puts("failed reading d3 lattice struct");
return -1;
}
- if(read(lf_fd,my_inf,sizeof(info))<sizeof(info))
+ pos=lseek(lf_fd,0,SEEK_CUR);
+ printf("psition: %d (%d)\n",pos,sizeof(d3_lattice));
+ data=d3_l->max_x*d3_l->max_y*d3_l->max_z;
+ data_len=data*(sizeof(int)+sizeof(unsigned char));
+ printf("there are %d volumes so we need %d of bytes\n",data,data_len);
+ end=lseek(lf_fd,0,SEEK_END);
+ c=end-pos-data_len;
+ printf("end: %d => length: %d => guessed info size: %d bytes\n",end,end-pos,c);
+ strip=sizeof(info)-c;
+ printf("as real programs info size is %d, we strip %d bytes\n",sizeof(info),strip);
+ lseek(lf_fd,pos,SEEK_SET);
+ c=sizeof(info);
+ if(strip>0) c-=strip;
+ if(c<0)
+ {
+ puts("info smaller then strip size");
+ return -1;
+ }
+ if(read(lf_fd,my_inf,c)<c)
{
puts("failed reading info struct");
return-1;
}
+ if(strip>0) memset(my_inf+c,0,strip);
+ if(strip<0) lseek(lf_fd,(-1*strip),SEEK_CUR);
c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
if((d3_l->status=(unsigned char*)malloc(c*sizeof(unsigned char)))==NULL)
{
a=atof(p)/10; /* nm */
p=strtok(NULL," ");
b=atof(p);
- if(a>my_info->b_cd*CELL_LENGTH && a<(my_info->b_cd+d3_l->max_z)*CELL_LENGTH) d+=b;
+ if(a<=d3_l->max_z*CELL_LENGTH) d+=b;
all+=b;
}
}
free(flag);
#ifdef DEBUG_INTERPOL_PROFILE
- printf("debug: (interpolated profile)\n");
+ printf("debug: %s (interpolated profile)\n",file);
for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
#endif
char cc_txt[MAX_TXT];
char a_txt[MAX_TXT];
char s_txt[MAX_TXT];
- char ap_txt[MAX_TXT];
- char el_txt[MAX_TXT];
- char cd_txt[MAX_TXT];
+ char ballistic_txt[MAX_TXT];
+ char carbon_txt[MAX_TXT];
+ char stress_txt[MAX_TXT];
char r_txt[MAX_TXT];
- char cp_txt[MAX_TXT];
char zdiff_txt[MAX_TXT];
char diff_txt[MAX_TXT];
char dr_ac_txt[MAX_TXT];
u32 *c_profile;
u32 *n_e_loss;
u32 ne_max,ip_max;
+ u32 nel_z;
d3_l.max_x=X;
d3_l.max_y=Y;
resave=RESAVE;
my_info.z_diff=0;
my_info.c_diff=1;
- my_info.a_el=A_EL;
- my_info.b_el=B_EL;
- my_info.a_cd=A_CD;
- my_info.b_cd=B_CD;
my_info.a_ap=A_AP;
my_info.b_ap=B_AP;
my_info.a_cp=A_CP;
case 'n':
nowait=1;
break;
- case 'a':
- my_info.a_el=atof(argv[++i]);
- break;
- case 'b':
- my_info.b_el=atof(argv[++i]);
- break;
case 'x':
d3_l.max_x=atoi(argv[++i]);
break;
case 'F':
my_info.a_cp=atof(argv[++i]);
break;
- case 'A':
- my_info.a_cd=atof(argv[++i]);
- break;
- case 'B':
- my_info.b_cd=atof(argv[++i]);
- break;
case 'W':
resave=atoi(argv[++i]);
break;
sprintf(s_txt,"steps: %d",my_info.steps);
sprintf(dose_txt,"dose: %.2fe+17 C/cm²",my_info.steps*1.0/(d3_l.max_x*d3_l.max_y*CELL_LENGTH*CELL_LENGTH*1000));
sprintf(r_txt,"pressure range: %d",my_info.range);
- sprintf(ap_txt,"a_ap: %f b_ap: %f",my_info.a_ap,my_info.b_ap);
- sprintf(el_txt,"a_el: %f b_el: %f",my_info.a_el,my_info.b_el);
- sprintf(cd_txt,"a_cd: %f b_cd: %f",my_info.a_cd,my_info.b_cd);
- sprintf(cp_txt,"a_cp: %f",my_info.a_cp);
+ sprintf(stress_txt,"stress term: %f",my_info.a_ap);
+ sprintf(ballistic_txt,"ballistic term: %f",my_info.b_ap);
+ sprintf(carbon_txt,"carbon term: %f",my_info.a_cp);
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");
arg_v[12]=diff_txt;
arg_v[13]=zdiff_txt;
arg_v[14]=r_txt;
- arg_v[15]=ap_txt;
- arg_v[16]=el_txt;
- arg_v[17]=cd_txt;
- arg_v[18]=cp_txt;
- arg_v[19]=dr_ac_txt;
- arg_v[20]=dr_cc_txt;
- arg_v[21]=hpi_txt;
- arg_v[22]=csat_txt;
+ arg_v[15]=ballistic_txt;
+ arg_v[16]=carbon_txt;
+ arg_v[17]=stress_txt;
+ arg_v[18]=dr_ac_txt;
+ arg_v[19]=dr_cc_txt;
+ arg_v[20]=hpi_txt;
+ arg_v[21]=csat_txt;
+ arg_v[22]=NULL;
arg_v[23]=NULL;
arg_v[24]=NULL;
arg_v[25]=NULL;
#endif
+ /* compute graphs for random number rejection method */
+ if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
+ {
+ puts("failed allocating memory for carbon profile graph");
+ return -1;
+ }
+ if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
+ {
+ puts("failed allocating memory for nuclear energy loss graph");
+ return -1;
+ }
+ 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);
+
if((!strcmp(l_file,""))||(c_step))
{
/* calculate ratio of c_simwindow / c_total */
puts("failed calculating ratio");
return -1;
}
- /* compute graphs for random number rejection method */
- if((c_profile=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
- {
- puts("failed allocating memory for carbon profile graph");
- return -1;
- }
- if((n_e_loss=(u32 *)malloc(d3_l.max_z*sizeof(unsigned int)))==NULL)
- {
- puts("failed allocating memory for nuclear energy loss graph");
- return -1;
- }
- 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 DEBUG_RAND
+ i=0;
while(1)
{
#ifdef DEBUG_CP
#ifdef DEBUG_NORM
printf("%d\n",get_rand(d3_l.max_z));
#endif
+ if(i==10000000) return 1;
+ i++;
}
#endif
{
x_c=get_rand(d3_l.max_x);
y_c=get_rand(d3_l.max_y);
- z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
- process_cell(&d3_l,x_c,y_c,z_c,&my_info);
+ // z_c=get_rand_reject(d3_l.max_z,ne_max,n_e_loss);
+ z_c=get_rand(d3_l.max_z);
+ 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);
#ifdef USE_DFB_API
sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
sprintf(steps_txt,"step: %d",i);
sprintf(cc_txt,"total c: %d",my_info.cc);
- d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
+ d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0,NULL,0,NULL,0);
}
#endif
if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
if(switchmode==0) mode=0;
if(switchmode==1) mode=1;
if(switchmode==2) mode=2;
+ if(switchmode==3) mode=3;
/* end of bahh! */
sprintf(xyz_txt,"x: %d y: %d z: %d",x+1,y+1,z+1);
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');
if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
- d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
+ if(switchmode==3) strcpy(mode_txt,"view: a/c + profiles mode");
+ d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra,c_profile,ip_max,n_e_loss,ne_max);
bmp=0;
ac_distr=0;
scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp,&ac_distr);
projects / physik / nlsop.git / blobdiff