implemented sputtering effect

diff --git a/nlsop.c b/nlsop.c
index 2bec6ec..fc34c8a 100644 (file)
--- a/nlsop.c
+++ b/nlsop.c
@@ -76,11 +76,33 @@ int usage(void)
  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;
@@ -127,7 +149,7 @@ int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info,u32 nel_z)
  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;
@@ -135,14 +157,11 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3
  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)
  {
@@ -155,7 +174,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3
    {
     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++)
      {
@@ -1131,7 +1150,7 @@ int main(int argc,char **argv)
  d3_lattice d3_l;
  info my_info;
  unsigned char mode;
- double c_ratio;
+ //double c_ratio;
 #ifdef USE_DFB_API
  int max_extra;
 #endif
@@ -1157,7 +1176,7 @@ int main(int argc,char **argv)
  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;
@@ -1264,7 +1283,7 @@ int main(int argc,char **argv)
      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();
@@ -1358,7 +1377,7 @@ int main(int argc,char **argv)
  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;
@@ -1404,18 +1423,30 @@ int main(int argc,char **argv)
  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;
+  //}
 
-#ifdef MORE_PRINTF
- printf(" done\n");
-#endif
+  /* 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;
@@ -1454,7 +1485,7 @@ int main(int argc,char **argv)
     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)
    {
@@ -1475,6 +1506,7 @@ int main(int argc,char **argv)
 #endif
    }
    i++;
+   if(i%my_info.s_rate==0) sputter(&d3_l);
   }
  }
 

diff --git a/nlsop.h b/nlsop.h
index afc0c84..5e8db78 100644 (file)
--- a/nlsop.h
+++ b/nlsop.h
@@ -15,7 +15,7 @@ typedef unsigned int u32;
 
 typedef struct __info
 {
- int cc,steps,range,diff_rate,cpi,c_sat;
+ int cc,steps,range,diff_rate,cpi,s_rate;
  double s,b,c,dr_ac,dr_cc;
  char z_diff,c_diff;
 } info;
@@ -52,7 +52,7 @@ typedef struct __info
 
 #define CPI 100
 
-#define C_SAT (168*8)
+#define S_RATE ((2*3*STEPS)/100)
 #define SI_PER_VOLUME (168*8)
 
 #define FFT_HEIGHT 64