* 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("-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("-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("-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("-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);
+ printf("-m <value> \t number of ion hits sputtering 3nm (default %d)\n",S_RATE);
return 1;
}
-int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
+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;
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*nel_z;
for(i=-(my_info->range);i<=my_info->range;i++)
{
for(j=-(my_info->range);j<=my_info->range;j++)
if(!(i==0 && j==0))
{
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;
- if(*(d3_l->status+off)&AMORPH) p+=my_info->a_ap*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
+ if(*(d3_l->status+off)&AMORPH) p+=my_info->s*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
}
}
}
- p+=*conc*my_info->a_cp*URAND_MAX;
+ p+=*conc*my_info->c*URAND_MAX;
if(!(*thiz&AMORPH))
{
if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
} 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);
}
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);
- // printf("nd: %d %d\n",x,y);
- // z=get_rand_lgp(d3_l->max_z,my_info->a_cd,my_info->b_cd);
- z=get_rand_reject(d3_l->max_z,rj_m,rj_g);
- // printf("%d\n",z);
- *(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)
{
{
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);
+#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);
return 1;
}
-int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
+int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
{
- int fd,i,j,size=0,foo=0,end=0;
+ int fd,i,j,size=0,foo=0,k,sum;
int width=0,height=0;
char bmpfile[MAX_CHARS];
char buf[128];
- if(((window==4)||(window==5))&&(d3_l->max_z<FFT_HEIGHT) )
- {
- puts("error: z < FFT_HEIGHT!");
- puts("not writing bmp file ...");
- return -1;
- }
-
- if(window%3==1)
+ if(window==1)
{
sprintf(bmpfile,"x-z_%d.bmp",y);
foo=3*d3_l->max_x;
- if(window==1)
- {
- size=(foo+(4-foo%4))*d3_l->max_z;
- height=d3_l->max_z;
- }
- else
- {
- size=(foo+(4-foo%4))*FFT_HEIGHT;
- end=d3_l->max_z-FFT_HEIGHT;
- height=FFT_HEIGHT;
- }
+ size=(foo+(4-foo%4))*d3_l->max_z;
+ height=d3_l->max_z;
width=d3_l->max_x;
}
- if(window%3==2)
+ if(window==2)
{
sprintf(bmpfile,"y-z_%d.bmp",x);
foo=3*d3_l->max_y;
- if(window==2)
- {
- size=(foo+(4-foo%4))*d3_l->max_z;
- height=d3_l->max_z;
- }
- else
- {
- size=(foo+(4-foo%4))*FFT_HEIGHT;
- end=d3_l->max_z-FFT_HEIGHT;
- height=FFT_HEIGHT;
- }
+ size=(foo+(4-foo%4))*d3_l->max_z;
+ height=d3_l->max_z;
width=d3_l->max_y;
}
if(window==3)
width=d3_l->max_x;
height=d3_l->max_y;
}
-
+ if(window==4)
+ {
+ sprintf(bmpfile,"x-z_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==5)
+ {
+ sprintf(bmpfile,"y-z_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==6)
+ {
+ sprintf(bmpfile,"x-y_cdistr_%d.bmp",z);
+ foo=3*d3_l->max_x;
+ size=(foo+(4-foo%4))*d3_l->max_y;
+ 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");
puts("failed writing bmp header");
return -1;
}
- if(window%3==1)
+ if(window==1)
{
- for(j=0;j<d3_l->max_z-end;j++)
+ 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) memset(buf,0xff,3);
- else memset(buf,0,3);
+ sum=0;
+ for(k=-2;k<=2;k++)
+ if(*(d3_l->status+i+(((y+k+d3_l->max_y)%d3_l->max_y)*d3_l->max_x)+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum+=0xff;
+ sum/=5;
+ memset(buf,(unsigned char)sum,3);
if(write(fd,buf,3)<3)
{
puts("failed writing rgb values to bmp file");
}
}
}
- if(window%3==2)
+ if(window==2)
{
- for(j=0;j<d3_l->max_z-end;j++)
+ for(j=0;j<d3_l->max_z;j++)
{
for(i=0;i<d3_l->max_y;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) memset(buf,0xff,3);
- else memset(buf,0,3);
+ sum=0;
+ for(k=-2;k<=2;k++)
+ if(*(d3_l->status+((x+k+d3_l->max_x)%d3_l->max_x)+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum+=0xff;
+ sum/=5;
+ memset(buf,(unsigned char)sum,3);
if(write(fd,buf,3)<3)
{
puts("failed writing rgb values to bmp file");
}
}
}
+ if(window==4)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+ 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==5)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+ 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==6)
+ {
+ for(j=0;j<d3_l->max_y;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
+ 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==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)
{
int convert_file(char *cf,d3_lattice *d3_l)
{
+#ifndef MAC
int x,y,z;
int c_fd;
}
}
close(c_fd);
+#endif
return 1;
}
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;
}
}
if(a>d3_l->max_z*CELL_LENGTH) k=0;
else
{
- graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX*b);
+ graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
flag[(int)(a/CELL_LENGTH)]=1;
}
}
free(flag);
- // printf("debug: (interpolated c profile)\n");
- // for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
+#ifdef DEBUG_INTERPOL_PROFILE
+ printf("debug: %s (interpolated profile)\n",file);
+ for(i=0;i<d3_l->max_z;i++) printf("%d %d\n",i,graph[i]);
+#endif
return max;
}
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];
char dr_cc_txt[MAX_TXT];
char dose_txt[MAX_TXT];
char mode_txt[MAX_TXT];
+ char hpi_txt[MAX_TXT];
+ char csat_txt[MAX_TXT];
char *arg_v[MAX_ARGV];
#endif
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 *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;
+ 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.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 '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;
my_info.range=atoi(argv[++i]);
break;
case 'f':
- my_info.a_ap=atof(argv[++i]);
+ my_info.s=atof(argv[++i]);
break;
case 'p':
- my_info.b_ap=atof(argv[++i]);
+ my_info.b=atof(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]);
+ my_info.c=atof(argv[++i]);
break;
case 'W':
resave=atoi(argv[++i]);
case 'H':
my_info.cpi=atoi(argv[++i]);
break;
+ case 'm':
+ my_info.s_rate=atoi(argv[++i]);
+ break;
default:
usage();
return -1;
} 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(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.s);
+ 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(diff_txt,"diffusion every %d steps",my_info.diff_rate);
strcpy(mode_txt,"view: a/c mode");
- arg_v[1]=xyz_txt;
- arg_v[2]=NULL;
+ sprintf(hpi_txt,"hits per ion: %d",my_info.cpi);
+ 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[4]=conc_txt;
arg_v[5]=NULL;
- arg_v[6]=mode_txt;
- arg_v[7]=NULL;
- arg_v[8]=steps_txt;
- arg_v[9]=cc_txt;
- arg_v[10]=NULL;
- arg_v[11]=diff_txt;
- arg_v[12]=zdiff_txt;
- arg_v[13]=NULL;
- arg_v[14]=a_txt;
- arg_v[15]=s_txt;
- arg_v[16]=dose_txt;
- arg_v[17]=NULL;
- arg_v[18]=r_txt;
- arg_v[19]=ap_txt;
- arg_v[20]=el_txt;
- arg_v[21]=cd_txt;
- arg_v[22]=cp_txt;
+ arg_v[6]=steps_txt;
+ arg_v[7]=cc_txt;
+ arg_v[8]=NULL;
+ arg_v[9]=a_txt;
+ arg_v[10]=s_txt;
+ arg_v[11]=dose_txt;
+ arg_v[12]=diff_txt;
+ arg_v[13]=zdiff_txt;
+ arg_v[14]=r_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]=dr_ac_txt;
- arg_v[25]=dr_cc_txt;
+ arg_v[24]=NULL;
+ 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)
+ {
+ 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 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)
- {
- 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)
+
+ /* this should be obsolete - z is high enough - we check now! */
+ if(c_profile[d3_l.max_z-1]!=0)
{
- puts("failed allocating memory for nuclear energy loss graph");
+ printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
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);
+ /* 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;
while(1)
{
#ifdef DEBUG_CP
#ifdef DEBUG_NEL
printf("%d\n",get_rand_reject(d3_l.max_z,ne_max,n_e_loss));
#endif
+#ifdef DEBUG_NORM
+ printf("%d\n",get_rand(d3_l.max_z));
+#endif
+ if(i==10000000) return 1;
+ i++;
}
#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);
y_c=get_rand(d3_l.max_y);
- // z_c=get_rand_lgp(d3_l.max_z,my_info.a_el,my_info.b_el);
- 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);
+ distrib_c(&d3_l,&my_info,i,ip_max,c_profile);
#ifdef USE_DFB_API
if(i%refresh==0)
{
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)
#endif
}
i++;
+ if(i%my_info.s_rate==0) sputter(&d3_l);
}
}
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);
- if(bmp) write_bmp(&d3_l,bmp,x,y,z);
+ if(bmp) write_bmp(&d3_l,bmp,x,y,z,max_extra);
if(ac_distr) write_ac_distr(&d3_l,ac_distr);
}
projects / physik / nlsop.git / blobdiff