/*
* 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 implanation. hopefully the program
- * will simulate the stabilization of the selforganizing structure in the
- * observed behaviour.
+ * and recrystallization of SiCx while ion implantation at temperatures
+ * below 400 degree celsius.
+ * hopefully the program will simulate the stabilization of the
+ * 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
+ *
+ * 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
puts("usage:");
puts("-h \t\t help");
puts("-n \t\t no user interaction");
- printf("-a <value> \t slope of nuclear energy loss (default %d)\n",A_EL);
- printf("-b <value> \t nuclear energy loss offset (default %d)\n",B_EL);
- printf("-x <value> \t # x cells (default %d)\n",X);
- printf("-y <value> \t # x cells (default %d)\n",Y);
- printf("-z <value> \t # x cells (default %d)\n",Z);
- printf("-X <value> \t display x (default %d)\n",X/2-1);
- printf("-Y <value> \t display y (default %d)\n",Y/2-1);
- printf("-Z <value> \t display z (default %d)\n",Z/2-1);
+ 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("-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("-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("-C <value> \t initial c concentration (default %d)\n",CC);
+ 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("-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("-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 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(3d_lattice *3d_l,u32 x,u32 y,u32 z,int r,double a,double b,int *t_c)
+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;
- double p;
+ int off;
+ double p,q;
- thiz=3d_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
- conc=3d_l->extra+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
- p=b*URAND_MAX;
- for(i=-r;i<=r;i++)
+ 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*nel_z;
+ for(i=-(my_info->range);i<=my_info->range;i++)
{
- for(j=-r;j<=r;j++)
+ for(j=-(my_info->range);j<=my_info->range;j++)
{
if(!(i==0 && j==0))
{
- if(*(d3_l->status+((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)&AMORPH) p+=a*URAND_MAX/(i*i+j*j);
+ 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->s*(*(d3_l->extra+off))*URAND_MAX/(i*i+j*j);
}
}
}
- p*=*conc;
+ p+=*conc*my_info->c*URAND_MAX;
if(!(*thiz&AMORPH))
{
- if(rand_get(URAND_MAX)<=p)
- {
- MAKE_AMORPH(thiz);
- *t_c=*t_c+1-*conc;
- } else *t_c+=1;
+ if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
} else
{
/* assume 1-p probability */
- if(rand_get(URAND_MAX)>p)
+ /* 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,u32 rj_m,u32 *rj_g)
+{
+ u32 x,y,z;
+ int i,j,k,c;
+ int offset,off;
+ int carry;
+
+ /* put one c ion somewhere in the lattice */
+ 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)
+ {
+
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ for(j=0;j<d3_l->max_y;j++)
+ {
+ 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 */
+ if(*(d3_l->status+offset)&AMORPH)
+ {
+ for(c=-1;c<=1;c++)
+ {
+ if(c!=0)
+ {
+ off=((i+d3_l->max_x+c)%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_ac*(*(d3_l->extra+off)));
+ if(carry!=0)
+ {
+ *(d3_l->extra+offset)+=carry;
+ *(d3_l->extra+off)-=carry;
+ }
+ }
+ }
+ for(c=-1;c<=1;c++)
+ {
+ if(c!=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_ac*(*(d3_l->extra+off)));
+ if(carry!=0)
+ {
+ *(d3_l->extra+offset)+=carry;
+ *(d3_l->extra+off)-=carry;
+ }
+ }
+ }
+ /* 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;
+ }
+ }
+ }
+ } /* for z */
+ } /* for y */
+ } /* for x */
+
+ } /* if step modulo diff_rate == 0 */
+
+ return 1;
+}
+
+int calc_pressure(d3_lattice *d3_l,int range)
+{
+ int i,j,off;
+ double count,max=0;
+ int x,y,z;
+
+ for(x=0;x<d3_l->max_x;x++)
+ {
+ for(y=0;y<d3_l->max_y;y++)
{
- MAKE_CRYST(thiz);
- *t_c=*t_c+1+*conc;
- } else *t_c+=1;
+ for(z=0;z<d3_l->max_z;z++)
+ {
+ count=0;
+ for(i=-range;i<=range;i++)
+ {
+ for(j=-range;j<=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) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
+ }
+ }
+ }
+ if(count>max) max=count;
+ }
+ }
+ }
+
+ for(x=0;x<d3_l->max_x;x++)
+ {
+ for(y=0;y<d3_l->max_y;y++)
+ {
+ for(z=0;z<d3_l->max_z;z++)
+ {
+ count=0;
+ for(i=-range;i<=range;i++)
+ {
+ for(j=-range;j<=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) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
+ }
+ }
+ }
+ *(unsigned char *)(d3_l->v_ptr+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(unsigned char)(count*255/max);
+ }
+ }
}
return 1;
}
-int distrib_c(3d_lattice *3d_l,int t_c,double a,double b)
+int calc_max_extra(d3_lattice *d3_l)
{
- int i,j,total,area;
+ int x,y,z;
+ int off,max=0;
- for(i=0;i<d3_l->max_z;i++)
+ for(x=0;x<d3_l->max_x;x++)
{
+ for(y=0;y<d3_l->max_y;y++)
+ {
+ for(z=0;z<d3_l->max_z;z++)
+ {
+ off=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
+ if(*(d3_l->extra+off)>max) max=*(d3_l->extra+off);
+ }
+ }
+ }
+
+ return max;
+}
+
+int write_ac_distr(d3_lattice *d3_l,int ac_distr)
+{
+ int fd,x,y,z;
+ int count,offset;
+ 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)
+ {
+ puts("cannot open plot file");
+ return -1;
+ }
+
+ for(z=0;z<d3_l->max_z;z++)
+ {
+ count=0;
+ 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);
+ if(ac_distr==4)
+ if(*(d3_l->status+offset)&AMORPH) count+=1;
+ }
+ }
+ if(ac_distr==4) dprintf(fd,"%d %d\n",z*CELL_LENGTH,count);
+#ifdef ATPROZ
+ else dprintf(fd,"%d %f\n",z*CELL_LENGTH,100.0*count/si_count);
+#else
+ else dprintf(fd,"%d %d\n",z*CELL_LENGTH,count/(d3_l->max_x*d3_l->max_y));
+#endif
+ }
+ close(fd);
+
+ return 1;
+}
+
+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,k,sum;
+ int width=0,height=0;
+ char bmpfile[MAX_CHARS];
+ char buf[128];
+
+ if(window==1)
+ {
+ sprintf(bmpfile,"x-z_%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==2)
+ {
+ sprintf(bmpfile,"y-z_%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==3)
+ {
+ sprintf(bmpfile,"x-y_%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==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");
+ return -1;
+ }
+
+ /* bmpheader */
+ buf[0]='B'; /* std header start */
+ buf[1]='M';
+ buf[2]=(size+0x36)&0xff; /* file size */
+ buf[3]=(size+0x36)>>8;
+ memset(buf+4,0,6);
+ buf[10]=0x36; /* offset to data */
+ memset(buf+11,0,3);
+ buf[14]=0x28; /* length of bmp info header */
+ memset(buf+15,0,3);
+ buf[18]=width&0xff; /* width and height */
+ buf[19]=width>>8;
+ memset(buf+20,0,2);
+ buf[22]=height&0xff;
+ buf[23]=height>>8;
+ memset(buf+24,0,2);
+ buf[26]=1; /* # planes -> 1 */
+ buf[27]=0;
+ buf[28]=24; /* bits per pixel -> 2^24 (true color) */
+ buf[29]=0;
+ memset(buf+30,0,4); /* compression -> none */
+ buf[34]=size&0xff; /* data size */
+ buf[35]=size>>8;
+ memset(buf+36,0,2);
+ buf[38]=0x12; /* res: pixel/meter */
+ buf[39]=0x0b;
+ memset(buf+40,0,2);
+ buf[42]=0x12;
+ buf[43]=0x0b;
+ memset(buf+44,0,2);
+ memset(buf+46,0,8); /* no colors, no important colors */
+
+ if(write(fd,buf,54)<54)
+ {
+ puts("failed writing bmp header");
+ return -1;
+ }
+ if(window==1)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_x;i++)
+ {
+ 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");
+ 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==2)
+ {
+ for(j=0;j<d3_l->max_z;j++)
+ {
+ for(i=0;i<d3_l->max_y;i++)
+ {
+ 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");
+ 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==3)
+ {
+ 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) memset(buf,0xff,3);
+ else memset(buf,0,3);
+ 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==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 save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
+{
+ int sf_fd,c;
+
+ if((sf_fd=open(sf,O_WRONLY|O_CREAT))<0)
+ {
+ puts("cannot open save file");
+ return -1;
+ }
+ if(write(sf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
+ {
+ puts("failed saving d3 lattice struct");
+ return -1;
+ }
+ if(write(sf_fd,my_inf,sizeof(info))<sizeof(info))
+ {
+ puts("failed saving info struct");
+ return-1;
+ }
+ c=d3_l->max_x*d3_l->max_y*d3_l->max_z;
+ if(write(sf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
+ {
+ puts("failed saving status of d3 lattice sites");
+ return -1;
+ }
+ if(write(sf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
+ {
+ puts("failed saving sites concentration");
+ return -1;
+ }
+ close(sf_fd);
+
+ return 1;
+}
+
+int load_from_file(char *lf,d3_lattice *d3_l,info *my_inf)
+{
+
+ int lf_fd,c,pos,end,data,data_len,strip;
+
+ if((lf_fd=open(lf,O_RDONLY))<0)
+ {
+ puts("cannot open load file");
+ return -1;
+ }
+ if(read(lf_fd,d3_l,sizeof(d3_lattice))<sizeof(d3_lattice))
+ {
+ puts("failed reading d3 lattice struct");
+ return -1;
+ }
+ 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)
+ {
+ puts("cannot allocate status buffer");
+ return -1;
+ }
+ if((d3_l->extra=(int *)malloc(c*sizeof(int)))==NULL)
+ {
+ puts("cannot allocate concentration buffer");
+ return -1;
+ }
+ if(read(lf_fd,d3_l->status,c*sizeof(unsigned char))<c*sizeof(unsigned char))
+ {
+ puts("failed reading status of d3 lattice sites");
+ return -1;
}
+ if(read(lf_fd,d3_l->extra,c*sizeof(int))<c*sizeof(int))
+ {
+ puts("failed reading sites concentration");
+ return -1;
+ }
+ close(lf_fd);
+
+ return 1;
+}
+
+int convert_file(char *cf,d3_lattice *d3_l)
+{
+ int x,y,z;
+ int c_fd;
+
+ if((c_fd=open(cf,O_WRONLY|O_CREAT))<0)
+ {
+ puts("cannot open convert file");
+ return -1;
+ }
+ dprintf(c_fd,"# created by nlsop (gnuplot format)\n");
+ for(x=0;x<d3_l->max_x;x++)
+ {
+ for(y=0;y<d3_l->max_y;y++)
+ {
+ for(z=0;z<d3_l->max_z;z++)
+ {
+ if(*(d3_l->status+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&AMORPH) dprintf(c_fd,"%d %d %d\n",x,y,z);
+ }
+ }
+ }
+ close(c_fd);
+
+ return 1;
+}
+
+int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
+{
+ double all,a,b,d;
+ int i,k;
+ int p_fd;
+ unsigned char buf[32];
+ char *p;
+ unsigned char c;
+
+ if((p_fd=open(pfile,O_RDONLY))<0)
+ {
+ puts("cannot open profile file");
+ return -1;
+ }
+ k=1;
+ d=0;
+ all=0;
+ while(k)
+ {
+ for(i=0;i<32;i++)
+ {
+ k=read(p_fd,&c,1);
+ buf[i]=c;
+ if(c=='\n') break;
+ }
+ if(k)
+ {
+ p=strtok(buf," ");
+ a=atof(p)/10; /* nm */
+ p=strtok(NULL," ");
+ b=atof(p);
+ if(a<=d3_l->max_z*CELL_LENGTH) d+=b;
+ all+=b;
+ }
+ }
+ *c_ratio=d/all;
+ close(p_fd);
+
+ return 1;
+}
+
+u32 get_reject_graph(info *my_info,d3_lattice *d3_l,char *file,u32 *graph) {
+ double a,b;
+ int i,j,k;
+ int fd;
+ char buf[32],*p;
+ unsigned char *flag;
+ u32 max;
+
+ max=0;
+ if((fd=open(file,O_RDONLY))<0)
+ {
+ puts("cannot open file to calculate rejection graph");
+ return -1;
+ }
+ if((flag=(unsigned char *)malloc(d3_l->max_z))==NULL)
+ {
+ puts("cannot malloc flag memory for rejection graph");
+ return -1;
+ }
+ memset(flag,0,d3_l->max_z);
+ memset(graph,0,d3_l->max_z*sizeof(u32));
+ /* get fixpoints */
+ k=1;
+ while(k)
+ {
+ for(i=0;i<32;i++)
+ {
+ k=read(fd,&buf[i],1);
+ if((buf[i]=='\n')||(k==0)) break;
+ }
+ if(k)
+ {
+ p=strtok(buf," ");
+ a=atof(p)/10; /* nm */
+ p=strtok(NULL," ");
+ b=atof(p);
+ if(a>d3_l->max_z*CELL_LENGTH) k=0;
+ else
+ {
+ graph[(int)(a/CELL_LENGTH)]=(int)(URAND_MAX/100*b);
+ flag[(int)(a/CELL_LENGTH)]=1;
+ }
+ }
+ }
+ /* do (linear) interpolation here! */
+ i=0;
+ a=0;
+ while(i<d3_l->max_z)
+ {
+ /* graph[0] is 0! */
+ j=i;
+ i++;
+ while(flag[i]==0&&i<d3_l->max_z) i++;
+ for(k=j+1;k<i;k++) graph[k]=(int)((k-j)*((int)graph[i]-(int)graph[j])/(i-j))+graph[j];
+ if(graph[i]>max) max=graph[i];
+ }
+
+ free(flag);
+
+#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;
+}
+
+int get_amorphous_layer_info(d3_lattice *d3_l,int *sai,int *sacl,int *eacl) {
+ int i,j,a,oend,nend,count;
+ unsigned char sacl_is_set=0;
+ unsigned char eacl_is_set=0;
+ unsigned char sai_is_set=0;
+
+ a=d3_l->max_x*d3_l->max_y;
+ nend=a;
+ oend=0;
+
+ for(i=0;i<d3_l->max_z;i++) {
+ count=0;
+ for(j=oend;j<nend;j++) if(*(d3_l->status+j)&AMORPH) count++;
+ oend=nend;
+ nend+=a;
+ if((count>=A_START*a)&&(!sai_is_set)) {
+ *sai=i;
+ sai_is_set=1;
+ }
+ if((count>=AC_START*a)&&(!sacl_is_set)) {
+ *sacl=i;
+ sacl_is_set=1;
+ }
+ if((count<=A_END*a)&&(sacl_is_set)&&(!eacl_is_set)) {
+ *eacl=i;
+ eacl_is_set=1;
+ }
+ if((eacl_is_set)&&(count>=A_END*a)) eacl_is_set=0;
+ }
+ return 1;
+}
+
+int main(int argc,char **argv)
+{
+ u32 x,y,z,x_c,y_c,z_c;
+ int i,j,quit,escape,switchmode,nowait,bmp,ac_distr;
+ int refresh,resave;
+ int c_step;
+ int sai,sacl,eacl;
+ char s_file[MAX_CHARS];
+ char s_file_tmp[MAX_CHARS];
+ char l_file[MAX_CHARS];
+ char c_file[MAX_CHARS];
+ char p_file[MAX_CHARS];
+ char n_e_file[MAX_CHARS];
+ char convert;
+ char r_file[MAX_CHARS];
+#ifdef USE_DFB_API
+ char xyz_txt[MAX_TXT];
+ char status_txt[MAX_TXT];
+ char conc_txt[MAX_TXT];
+ char steps_txt[MAX_TXT];
+ char cc_txt[MAX_TXT];
+ char a_txt[MAX_TXT];
+ char s_txt[MAX_TXT];
+ char ballistic_txt[MAX_TXT];
+ char carbon_txt[MAX_TXT];
+ char stress_txt[MAX_TXT];
+ char r_txt[MAX_TXT];
+ char zdiff_txt[MAX_TXT];
+ char diff_txt[MAX_TXT];
+ char dr_ac_txt[MAX_TXT];
+ char dose_txt[MAX_TXT];
+ char mode_txt[MAX_TXT];
+ char hpi_txt[MAX_TXT];
+ char srate_txt[MAX_TXT];
+ char start_ai_txt[MAX_TXT];
+ char start_acl_txt[MAX_TXT];
+ char end_acl_txt[MAX_TXT];
+ char *arg_v[MAX_ARGV];
+#endif
+ d3_lattice d3_l;
+ info my_info;
+ unsigned char mode;
+ 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;
+ unsigned char do_sputter;
+
+ 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.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.diff_rate=DIFF_RATE;
+ my_info.cpi=CPI;
+ my_info.s_rate=S_RATE;
+ nowait=0;
+ quit=0;
+ escape=0;
+ switchmode=0;
+ c_step=0;
+ strcpy(s_file,"");
+ strcpy(l_file,"");
+ strcpy(c_file,"");
+ strcpy(p_file,IMP_PROFILE);
+ strcpy(n_e_file,NEL_PROFILE);
+ convert=0;
+ strcpy(r_file,"");
+ mode=0;
+ ne_max=0;
+ ip_max=0;
+ sai=0;
+ sacl=0;
+ eacl=0;
+ do_sputter=1;
+
+#ifdef MORE_PRINTF
+ printf("reading argv ...");
+#endif
+
+ for(i=1;i<argc;i++)
+ {
+ if(argv[i][0]=='-')
+ {
+ switch(argv[i][1])
+ {
+ case 'h':
+ usage();
+ return -1;
+ case 'n':
+ nowait=1;
+ break;
+ case 'x':
+ d3_l.max_x=atoi(argv[++i]);
+ break;
+ case 'y':
+ d3_l.max_y=atoi(argv[++i]);
+ break;
+ case 'z':
+ d3_l.max_z=atoi(argv[++i]);
+ break;
+ case 's':
+ my_info.steps=atoi(argv[++i]);
+ break;
+ case 'd':
+ refresh=atoi(argv[++i]);
+ break;
+ case 'r':
+ my_info.range=atoi(argv[++i]);
+ break;
+ case 'f':
+ my_info.s=atof(argv[++i]);
+ break;
+ case 'p':
+ my_info.b=atof(argv[++i]);
+ break;
+ case 'F':
+ my_info.c=atof(argv[++i]);
+ break;
+ case 'W':
+ resave=atoi(argv[++i]);
+ break;
+ case 'C':
+ strcpy(l_file,argv[++i]);
+ if(i<argc-1) if(argv[i+1][0]!='-') strcpy(c_file,argv[++i]);
+ convert=1;
+ break;
+ case 'D':
+ my_info.dr_ac=atof(argv[++i]);
+ break;
+ case 'e':
+ my_info.diff_rate=atoi(argv[++i]);
+ break;
+ case 'L':
+ strcpy(l_file,argv[++i]);
+ break;
+ case 'S':
+ strcpy(s_file,argv[++i]);
+ break;
+ case 'R':
+ strcpy(r_file,argv[++i]);
+ break;
+ case 'P':
+ strcpy(p_file,argv[++i]);
+ break;
+ case 'N':
+ strcpy(n_e_file,argv[++i]);
+ break;
+ case 'g':
+ 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;
+ 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;
+
+#ifdef NODFB
+ if(!strcmp(s_file,""))
+ {
+ puts("NODFB defined, run with -S option");
+ return -1;
+ }
+#endif
+
+ printf("random api init ...");
+ if(!strcmp(r_file,"")) rand_init(NULL);
+ else rand_init(r_file);
+ printf(" done\n");
+
+ if(!strcmp(l_file,""))
+ {
+ i=d3_l.max_x*d3_l.max_y*d3_l.max_z;
+#ifdef USE_DFB_API
+ printf("d3 lattice init ...");
+ d3_lattice_init(&argc,argv,&d3_l);
+ printf(" done\n");
+#endif
+ if((d3_l.status=(unsigned char *)malloc(i*sizeof(unsigned char)))==NULL)
+ {
+ puts("failed allocating status buffer");
+ return -1;
+ }
+ memset(d3_l.status,0,i*sizeof(unsigned char));
+ if((d3_l.extra=(int *)malloc(i*sizeof(int)))==NULL)
+ {
+ puts("failed allocating concentration buffer");
+ return -1;
+ }
+ memset(d3_l.extra,0,i*sizeof(int));
+ } else
+ {
+ printf("loading file ...");
+ load_from_file(l_file,&d3_l,&my_info);
+ printf(" done\n");
+ if(convert)
+ {
+ if(!strcmp(c_file,"")) sprintf(c_file,"%s_gnuplot",l_file);
+ printf("converting file %s to %s\n",l_file,c_file);
+ convert_file(c_file,&d3_l);
+ puts("done");
+ return 1;
+ }
+#ifdef USE_DFB_API
+ printf("d3 lattice init ...");
+ d3_lattice_init(&argc,argv,&d3_l);
+ printf(" done\n");
+#endif
+ }
+
+#ifdef USE_DFB_API
+ printf("event init ...");
+ d3_event_init(&d3_l);
+ printf(" done\n");
+#endif
+
+#ifdef USE_DFB_API
+ strcpy(a_txt,"args:");
+ 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,"stress influence range: %d",my_info.range);
+ 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);
+ 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(srate_txt,"sputter rate (3nm/#c): %d",my_info.s_rate);
+ get_amorphous_layer_info(&d3_l,&sai,&sacl,&eacl);
+ sprintf(start_ai_txt,"start of a-inclusions: %d nm (%d)",3*sai,sai);
+ sprintf(start_acl_txt,"start of a-layer: %d nm (%d)",3*sacl,sacl);
+ sprintf(end_acl_txt,"end of a-layer: %d nm (%d)",3*eacl,eacl);
+ 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]=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]=dr_ac_txt;
+ arg_v[15]=ballistic_txt;
+ arg_v[16]=carbon_txt;
+ arg_v[17]=stress_txt;
+ arg_v[18]=r_txt;
+ arg_v[19]=hpi_txt;
+ arg_v[20]=srate_txt;
+ arg_v[21]=NULL;
+ arg_v[22]=start_ai_txt;
+ arg_v[23]=start_acl_txt;
+ arg_v[24]=end_acl_txt;
+ arg_v[25]=NULL;
+#endif
+
+ /* compute graphs for random number rejection method */
+ printf("random rejection graphs ...");
+ 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);
+ printf(" done\n");
+
+ if((!strcmp(l_file,""))||(c_step))
+ {
+
+ /* this should be obsolete - z is high enough - we check now! */
+ if(c_profile[d3_l.max_z-1]!=0)
+ {
+ printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
+ do_sputter=0;
+ }
+ /* calculate ratio of c_simwindow / c_total */
+ if(!do_sputter)
+ {
+ get_c_ratio(&c_ratio,p_file,&my_info,&d3_l);
+ printf("calculated c ratio: %f\n",c_ratio);
+ }
+
+ /* 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
+ printf("%d\n",get_rand_reject(d3_l.max_z,ip_max,c_profile));
+#endif
+#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
+#ifdef DEBUG_LINEAR
+ printf("%d\n",get_rand_lgp(d3_l.max_z,1,0));
+#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_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,ip_max,c_profile);
+#ifdef USE_DFB_API
+ if(i%refresh==0)
+ {
+ sprintf(xyz_txt,"x: %d y: %d z: %d (%d nm)",x+1,y+1,z+1,z*3);
+ 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,"carbon: %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);
+ get_amorphous_layer_info(&d3_l,&sai,&sacl,&eacl);
+ sprintf(start_ai_txt,"start of a-inclusions: %d nm (%d)",3*sai,sai);
+ sprintf(start_acl_txt,"start of a-layer: %d nm (%d)",3*sacl,sacl);
+ sprintf(end_acl_txt,"end of a-layer: %d nm (%d)",3*eacl,eacl);
+ 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)
+ {
+ sprintf(s_file_tmp,"%s_%d_of_%d",s_file,i,my_info.steps);
+ save_to_file(s_file_tmp,&d3_l,&my_info);
+#ifdef NODFB
+ printf("saved %s\n",s_file_tmp);
+#endif
+ }
+ i++;
+ if((do_sputter)&(i%my_info.s_rate==0)) sputter(&d3_l);
+ }
+ }
+
+ if(strcmp(s_file,""))
+ {
+ printf("saved %s\n",s_file);
+ save_to_file(s_file,&d3_l,&my_info);
+ }
+
+#ifdef USE_DFB_API
+ /* allocating buffer for pressure values */
+ printf("allocating buffer for preassure values ...");
+ if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL)
+ {
+ puts("cannot allocate buffer for pressure values");
+ return -1;
+ }
+ printf(" done\n");
+ /* calc values */
+ printf("calculating preassure values ...");
+ calc_pressure(&d3_l,my_info.range);
+ printf(" done\n");
+ printf("finding maximum carbon concentration ...");
+ max_extra=calc_max_extra(&d3_l);
+ printf(" done\n");
+
+ while((quit==0) && (escape==0) && (nowait==0))
+ {
+ /* bahh! */
+ 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 (%d nm)",x+1,y+1,z+1,z*3);
+ 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,"carbon: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
+ sprintf(steps_txt,"step: end");
+ sprintf(cc_txt,"total c: %d",my_info.cc);
+ 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");
+ 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,max_extra);
+ if(ac_distr) write_ac_distr(&d3_l,ac_distr);
+ }
+
+ d3_lattice_release(&d3_l);
+#endif
return 1;
}
projects / physik / nlsop.git / blobdiff