poten.f90

   1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   2 ! Driver for stain0.f subroutine
   3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   4
   5   PROGRAM POTDRV
   6
   7         Use Dot_Geometry
   8         Use Auxiliar_Procedures
   9         Use Input_Data
  10         Use NCPACK_PZO
  11         Use NCPACK_STR
  12         Use NCPACK_POT
  13         Use NCPACK_DPL
  14
  15       IMPLICIT NONE
  16
  17 !! GRID RESULTS OF STRAIN0
  18
  19       REAL, ALLOCATABLE, DIMENSION(:,:,:) :: P_SPONT,P_PIEZO, &
  20                                              EXX,EYY,EZZ,EXZ,EYZ,EXY, &
  21                                              EEL,EHHUP,EHHDW,ELHUP, &
  22                                              ELHDW,ESOUP,ESODW,ELAST,&
  23                                              UX,UY,UZ,UR
  24
  25
  26       INTERFACE
  27        SUBROUTINE PIEZO(P_SPONT,P_PIEZO)
  28          REAL,DIMENSION(:,:,:) ::  P_SPONT,P_PIEZO
  29        END SUBROUTINE
  30        SUBROUTINE STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  31          REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
  32        END SUBROUTINE
  33        SUBROUTINE DISPLACEMENT(UR,UX,UY,UZ)
  34          REAL,DIMENSION(:,:,:) :: UR,UX,UY,UZ
  35        END SUBROUTINE
  36        SUBROUTINE POTENTIAL_ZB(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  37                                ESOUP,ESODW,ELAST,EXX,EYY,&
  38                                EZZ,EXY,EXZ,EYZ)
  39          REAL,DIMENSION(:,:,:),OPTIONAL ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
  40
  41          REAL,DIMENSION(:,:,:) ::  EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  42                                    ESOUP,ESODW,ELAST
  43        END SUBROUTINE
  44        SUBROUTINE POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  45                                ESOUP,ESODW,ELAST,EXX,EYY,&
  46                                EZZ,EXY,EXZ,EYZ,POT)
  47          REAL,DIMENSION(:,:,:),OPTIONAL ::  EXX,EYY,EZZ,EXY,EXZ,EYZ,POT
  48
  49          REAL,DIMENSION(:,:,:) ::  EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  50                                    ESOUP,ESODW,ELAST
  51        END SUBROUTINE
  52       END INTERFACE
  53
  54 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  55
  56       CALL READ_INPUT()
  57
  58        RC=Rqd_Base+23.E0
  59        ZC=Hqd+23.E0
  60
  61
  62        RD  = Rqd_Base/RC    ! RD = Rqd_Base normalized to RC
  63        HD  = Hqd/ZC         ! HD = HQD normalized to ZC
  64
  65        D=DWL/ZC ! Wetting layer thick. normalized to ZC
  66
  67
  68 !!!  ELECTROSTATIC POTENTIAL AND STRAIN DISTRIBUTION !!!!!!!!!!!!!!!!!!
  69
  70       IF(PZO_Action.EQ.1.AND.STR_Action.EQ.1) THEN
  71
  72          ALLOCATE (P_SPONT(1:XDim,1:YDim,1:ZDim),&
  73                    P_PIEZO(1:XDim,1:YDim,1:ZDim) )
  74          ALLOCATE (EXX(1:XDim,1:YDim,1:ZDim),EYY(1:XDim,1:YDim,1:ZDim), &
  75                    EZZ(1:XDim,1:YDim,1:ZDim),EXZ(1:XDim,1:YDim,1:ZDim), &
  76                    EXY(1:XDim,1:YDim,1:ZDim),EYZ(1:XDim,1:YDim,1:ZDim) )
  77
  78          CALL CONSTANTS( )
  79
  80          WRITE(6,*)"Begins the calculation of the Electrostatic Potential"
  81          CALL PIEZO(P_SPONT,P_PIEZO)
  82          WRITE(6,*)"Calculation of the Electrostatic Potential ended"
  83          WRITE(6,*)"Begins the calculation of the Strain Field"
  84          CALL STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  85          WRITE(6,*)"Calculation of the Strain Field ended"
  86
  87          CALL NCPACK_PZ(P_SPONT,P_PIEZO)
  88          IF (KCOOR.EQ.0) THEN
  89              CALL NCPACK_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  90          ELSE
  91              CALL NCPACK_CYL(EXX,EYY,EZZ,EXZ)
  92          END IF
  93
  94       ELSE
  95
  96         IF(PZO_Action.EQ.1) THEN
  97          ALLOCATE (P_SPONT(1:XDim,1:YDim,1:ZDim),&
  98                    P_PIEZO(1:XDim,1:YDim,1:ZDim) )
  99
 100          CALL CONSTANTS_PZO( )
 101
 102          WRITE(6,*)"Begins the calculation of the Electrostatic Potential"
 103          CALL PIEZO(P_SPONT,P_PIEZO)
 104          WRITE(6,*)"Calculation of the Electrostatic Potential ended"
 105
 106          CALL NCPACK_PZ(P_SPONT,P_PIEZO)
 107
 108         END IF
 109         IF(STR_Action.EQ.1) THEN
 110          ALLOCATE (EXX(1:XDim,1:YDim,1:ZDim),EYY(1:XDim,1:YDim,1:ZDim), &
 111                    EZZ(1:XDim,1:YDim,1:ZDim),EXZ(1:XDim,1:YDim,1:ZDim), &
 112                    EXY(1:XDim,1:YDim,1:ZDim),EYZ(1:XDim,1:YDim,1:ZDim) )
 113
 114          CALL CONSTANTS_STR( )
 115
 116          WRITE(6,*)"Begins the calculation of the Strain Field"
 117          CALL STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 118          WRITE(6,*)"Calculation of the Strain Field ended"
 119
 120          IF (KCOOR.EQ.0) THEN
 121              CALL NCPACK_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 122          ELSE
 123              CALL NCPACK_CYL(EXX,EYY,EZZ,EXZ)
 124          END IF
 125
 126         END IF
 127
 128       END IF
 129
 130       IF(STR_Action.EQ.2) THEN
 131          ALLOCATE (EXX(1:XDim,1:YDim,1:ZDim),EYY(1:XDim,1:YDim,1:ZDim), &
 132                    EZZ(1:XDim,1:YDim,1:ZDim),EXZ(1:XDim,1:YDim,1:ZDim), &
 133                    EXY(1:XDim,1:YDim,1:ZDim),EYZ(1:XDim,1:YDim,1:ZDim) )
 134          IF (KCOOR.EQ.0) THEN
 135              CALL NCREAD_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 136          ELSE
 137              CALL NCREAD_CYL(EXX,EYY,EZZ,EXZ)
 138          END IF
 139       END IF
 140
 141       IF(PZO_Action.EQ.2) THEN
 142          ALLOCATE (P_SPONT(1:XDim,1:YDim,1:ZDim),&
 143                    P_PIEZO(1:XDim,1:YDim,1:ZDim) )
 144
 145          CALL NCREAD_PZ(P_SPONT,P_PIEZO)
 146
 147       END IF
 148
 149 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 150 !!!  CONFINEMENT POTENTIAL !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 151 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 152
 153       IF(POT_Action.NE.0) THEN
 154
 155          IF (STR_Action.EQ.0 .AND. PZO_Action.EQ.0) CALL CONSTANTS_STR( )
 156
 157          WRITE(6,*)"Begins the calculation of the Confinement Potential"
 158
 159          ALLOCATE (EEL(1:XDim,1:YDim,1:ZDim),EHHUP(1:XDim,1:YDim,1:ZDim), &
 160                    EHHDW(1:XDim,1:YDim,1:ZDim),ELHUP(1:XDim,1:YDim,1:ZDim), &
 161                    ELHDW(1:XDim,1:YDim,1:ZDim),ESOUP(1:XDim,1:YDim,1:ZDim), &
 162                    ESODW(1:XDim,1:YDim,1:ZDim),ELAST(1:XDim,1:YDim,1:ZDim))
 163
 164         SELECT CASE(MTYPE)
 165
 166           CASE(1)
 167             IF(STR_Action.GT.0) THEN
 168                CALL POTENTIAL_ZB(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 169                                  ESOUP,ESODW,ELAST,EXX,EYY,&
 170                                  EZZ,EXY,EXZ,EYZ)
 171             ELSE
 172                CALL POTENTIAL_ZB(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 173                                  ESOUP,ESODW,ELAST)
 174             END IF
 175           CASE(2:)
 176             IF(STR_Action.NE.0.AND.PZO_Action.NE.0) THEN
 177                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 178                                     ESOUP,ESODW,ELAST,EXX,EYY,&
 179                                     EZZ,EXY,EXZ,EYZ,&
 180                                     POT=P_SPONT+P_PIEZO)
 181             ELSE
 182
 183                IF(STR_Action.NE.0) &
 184                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 185                                     ESOUP,ESODW,ELAST,EXX,EYY,&
 186                                     EZZ,EXY,EXZ,EYZ)
 187
 188                IF(PZO_Action.NE.0) &
 189                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 190                                     ESOUP,ESODW,ELAST,&
 191                                     POT=P_SPONT+P_PIEZO)
 192             END IF
 193             IF(STR_Action.EQ.0.AND.PZO_Action.EQ.0) THEN
 194                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 195                                     ESOUP,ESODW,ELAST)
 196             END IF
 197
 198         END SELECT
 199
 200          WRITE(6,*)"Calculation of the Confinement Potential ended"
 201
 202             CALL NCPACK_PT(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 203                            ESOUP,ESODW,ELAST)
 204       END IF
 205
 206       IF(DPL_Action.EQ.1) THEN
 207
 208          IF(.NOT.(STR_Action.EQ.1.AND.PZO_Action.EQ.1)) &
 209                   CALL CONSTANTS_DSP( )
 210
 211          ALLOCATE (UX(1:XDim,1:YDim,1:ZDim),UY(1:XDim,1:YDim,1:ZDim), &
 212                    UZ(1:XDim,1:YDim,1:ZDim), UR(1:XDim,1:YDim,1:ZDim) )
 213
 214          WRITE(6,*)"Begins the calculation of the Displacement Field"
 215          CALL DISPLACEMENT(UR,UX,UY,UZ)
 216          WRITE(6,*)"Calculation of the Displacement Field ended"
 217
 218          IF (KCOOR.EQ.0) THEN
 219              CALL NCPACK_DPL_CART(UX,UY,UZ)
 220          ELSE
 221              CALL NCPACK_DPL_CYL(UR,UZ)
 222          END IF
 223
 224
 225       END IF
 226
 227   END PROGRAM POTDRV