X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fnlsop.git;a=blobdiff_plain;f=nlsop.c;h=5d44239dd5180f60d3edfe8a2bcf6a3dbd9c6979;hp=5b160bc0bad5da00dad9e4b25817688c9f5a2e3b;hb=432c30bbaa659faf5103ca4c969285dade166df2;hpb=27d07bd7fc4b8166dfcfc6177101b778e6b1048c

diff --git a/nlsop.c b/nlsop.c
index 5b160bc..5d44239 100644
--- a/nlsop.c
+++ b/nlsop.c
@@ -1,6 +1,8 @@
 /*
  * nlsop.c 
  *
+ * author: frank zirkelbach (frank.zirkelbach@physik.uni-augsburg.de)
+ *
  * this program tries helping to understand the amorphous depuration
  * and recrystallization of SiCx while ion implantation at temperatures
  * below 400 degree celsius.
@@ -10,6 +12,23 @@
  * refs: 
  *  - J. K. N. Lindner. Habilationsschrift, Universitaet Augsburg.
  *  - Maik Haeberlen. Diplomarbeit, Universitaet Augsburg.
+ *
+ * Copyright (C) 2004 Frank Zirkelbach
+ *
+ * This program is free software; you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation; either version 2 of the License, or
+ * (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
+ *
  */
 
 #define _GNU_SOURCE
@@ -29,16 +48,13 @@
 #define MAKE_AMORPH(N) *(N)|=AMORPH
 #define MAKE_CRYST(N) *(N)&=~AMORPH
 
-/* test globals - get removed or included in my_info struct later */
-int amorph_count;
-int cryst_count;
-
 int usage(void)
 {
  puts("usage:");
  puts("-h \t\t help");
  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);
@@ -55,13 +71,14 @@ int usage(void)
  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> \t continue simulation from file and step (step > 0)!");
+ 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("-C <file> \t convert file to gnuplot format");
  puts("-L <file> \t load from file");
  puts("-S <file> \t save to file");
  puts("-R <file> \t read from random file");
- puts("-P <file> \t specify implantatin profile file");
+ puts("-P <file> \t specify implantation profile file");
+ printf("-H <value> \t collisions per ion in simulation window (default %d)\n",CPI);
  
  return 1;
 }
@@ -91,19 +108,11 @@ int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
  p+=*conc*my_info->a_cp*URAND_MAX;
  if(!(*thiz&AMORPH))
  {
-  if(get_rand(URAND_MAX)<=p)
-  {
-   MAKE_AMORPH(thiz);
-   amorph_count++;
-  }
+  if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
  } else
  {
   /* assume 1-p probability */
-  if(get_rand(URAND_MAX)>p)
-  {
-   MAKE_CRYST(thiz);
-   cryst_count++;
-  }
+  if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
  }
  
  return 1;
@@ -136,7 +145,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
    for(k=0;k<d3_l->max_z;k++)
    {
     offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
-    /* case amorph - amorph <-> cryst diffusion */
+    /* case amorph: amorph <- cryst diffusion */
     if(*(d3_l->status+offset)&AMORPH)
     {
      for(c=-1;c<=1;c++)
@@ -159,7 +168,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
       {
        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_ac*(*(d3_l->extra+off)));                             
+       if(!(*(d3_l->status+off)&AMORPH)) carry=(int)(my_info->dr_ac*(*(d3_l->extra+off)));
        if(carry!=0)
        {
         *(d3_l->extra+offset)+=carry; 
@@ -169,23 +178,33 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
      }
      if(my_info->z_diff)
      {
-      for(c=-1;c<=1;c++)
+      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*d3_l->max_x+((k+c+d3_l->max_z)%d3_l->max_z)*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;
-        }
+        *(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 */
+    /* 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++) 
      {
@@ -222,6 +241,9 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
       }
      }
     }
+    /* end test */
+    }
+    /* */
    } /* for z */
   } /* for y */
  } /* for x */
@@ -306,28 +328,90 @@ int calc_max_extra(d3_lattice *d3_l)
  return max;
 }
 
+int write_ac_distr(d3_lattice *d3_l,int ac_distr)
+{
+ int fd,x,y,z;
+ int count=0,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");
+
+ if((fd=open(file,O_WRONLY|O_CREAT))<0)
+ {
+  puts("cannot open plot file");
+  return -1;
+ }
+
+ for(z=0;z<d3_l->max_z;z++)
+ {
+  for(x=0;x<d3_l->max_x;x++)
+  {
+   for(y=0;y<d3_l->max_y;y++)
+   {
+    offset=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
+    if(ac_distr==1)
+     if(*(d3_l->status+offset)&AMORPH) count+=*(d3_l->extra+offset);
+    if(ac_distr==2)
+     if(!(*(d3_l->status+offset)&AMORPH)) count+=*(d3_l->extra+offset);
+    if(ac_distr==3) count+=*(d3_l->extra+offset);
+   }
+  }
+  dprintf(fd,"%d %d\n",z,count);
+ }
+ close(fd);
+ 
+ return 1;
+}
+
 int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
 {
- int fd,i,j,size=0,foo=0;
+ int fd,i,j,size=0,foo=0,end=0;
  int width=0,height=0;
  char bmpfile[MAX_CHARS];
  char buf[128];
 
- if(window==1)
+ 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)
  {
   sprintf(bmpfile,"x-z_%d.bmp",y);
   foo=3*d3_l->max_x;
-  size=(foo+(4-foo%4))*d3_l->max_z;
+  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;
+  }
   width=d3_l->max_x;
-  height=d3_l->max_z;
  }
- if(window==2)
+ if(window%3==2)
  {
   sprintf(bmpfile,"y-z_%d.bmp",x);
   foo=3*d3_l->max_y;
-  size=(foo+(4-foo%4))*d3_l->max_z;
+  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;
+  }
   width=d3_l->max_y;
-  height=d3_l->max_z;
  }
  if(window==3)
  {
@@ -381,9 +465,9 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
   puts("failed writing bmp header");
   return -1;
  }
- if(window==1)
+ if(window%3==1)
  {
-  for(j=0;j<d3_l->max_z;j++)
+  for(j=0;j<d3_l->max_z-end;j++)
   {
    for(i=0;i<d3_l->max_x;i++)
    {
@@ -406,9 +490,9 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
    } 
   }
  }
- if(window==2)
+ if(window%3==2)
  {
-  for(j=0;j<d3_l->max_z;j++)
+  for(j=0;j<d3_l->max_z-end;j++)
   {
    for(i=0;i<d3_l->max_y;i++)
    {
@@ -611,7 +695,7 @@ int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
 int main(int argc,char **argv)
 {
  u32 x,y,z,x_c,y_c,z_c;
- int i,quit,escape,switchmode,nowait,bmp;
+ int i,j,quit,escape,switchmode,nowait,bmp,ac_distr;
  int refresh,resave;
  int c_step;
  char s_file[MAX_CHARS];
@@ -658,6 +742,7 @@ int main(int argc,char **argv)
  refresh=REFRESH;
  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;
@@ -669,6 +754,7 @@ int main(int argc,char **argv)
  my_info.dr_ac=DR_AC;
  my_info.dr_cc=DR_CC;
  my_info.diff_rate=DIFF_RATE;
+ my_info.cpi=CPI;
  nowait=0;
  quit=0;
  escape=0;
@@ -682,9 +768,6 @@ int main(int argc,char **argv)
  strcpy(r_file,"");
  mode=0;
 
- amorph_count=0;
- cryst_count=0;
-
  for(i=1;i<argc;i++)
  {
   if(argv[i][0]=='-')
@@ -715,6 +798,10 @@ int main(int argc,char **argv)
     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;
@@ -772,6 +859,9 @@ int main(int argc,char **argv)
      strcpy(l_file,argv[++i]);
      if(i<argc-1) if(argv[i+1][0]!='-') c_step=atoi(argv[++i]);
      break;
+    case 'H':
+     my_info.cpi=atoi(argv[++i]);
+     break;
     default:
      usage();
      return -1;
@@ -842,7 +932,8 @@ int main(int argc,char **argv)
  sprintf(cd_txt,"a_cd: %.3f  b_cd: %.3f",my_info.a_cd,my_info.b_cd);
  sprintf(cp_txt,"a_cp: %.4f",my_info.a_cp);
  sprintf(dr_ac_txt,"a/c diffusion rate: %.4f",my_info.dr_ac);
- sprintf(dr_cc_txt,"c/c diffusion rate: %.4f",my_info.dr_cc);
+ if(my_info.c_diff!=0) sprintf(dr_cc_txt,"c/c diffusion rate: %.4f",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");
@@ -883,19 +974,22 @@ int main(int argc,char **argv)
   i=(c_step?c_step:0);
   while((i<my_info.steps) && (quit==0) && (escape==0))
   {
-   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);
+   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);
+    process_cell(&d3_l,x_c,y_c,z_c,&my_info);
+   }
    distrib_c(&d3_l,&my_info,i,c_ratio);
-   process_cell(&d3_l,x_c,y_c,z_c,&my_info);
 #ifdef USE_DFB_API
    if(i%refresh==0)
    {
     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');
     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  a_count: %d",i,amorph_count);
-    sprintf(cc_txt,"total c: %d  c_count: %d",my_info.cc,cryst_count);
+    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);
    }
 #endif
@@ -945,9 +1039,10 @@ int main(int argc,char **argv)
   if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
   d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
   bmp=0;
-  scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp);
+  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(ac_distr) write_ac_distr(&d3_l,ac_distr);
  }
 
  d3_lattice_release(&d3_l);