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
  14       IMPLICIT NONE
  15
  16 !! GRID RESULTS OF STRAIN0
  17
  18       REAL, ALLOCATABLE, DIMENSION(:,:,:) :: P_SPONT,P_PIEZO, &
  19                                              EXX,EYY,EZZ,EXZ,EYZ,EXY, &
  20                                              EEL,EHHUP,EHHDW,ELHUP, &
  21                                              ELHDW,ESOUP,ESODW,ELAST
  22
  23
  24       INTERFACE
  25        SUBROUTINE PIEZO(P_SPONT,P_PIEZO)
  26          REAL,DIMENSION(:,:,:) ::  P_SPONT,P_PIEZO
  27        END SUBROUTINE
  28        SUBROUTINE STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  29          REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
  30        END SUBROUTINE
  31        SUBROUTINE POTENTIAL_ZB(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  32                                ESOUP,ESODW,ELAST,EXX,EYY,&
  33                                EZZ,EXY,EXZ,EYZ)
  34          REAL,DIMENSION(:,:,:),OPTIONAL ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
  35
  36          REAL,DIMENSION(:,:,:) ::  EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  37                                    ESOUP,ESODW,ELAST
  38        END SUBROUTINE
  39        SUBROUTINE POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  40                                ESOUP,ESODW,ELAST,EXX,EYY,&
  41                                EZZ,EXY,EXZ,EYZ,POT)
  42          REAL,DIMENSION(:,:,:),OPTIONAL ::  EXX,EYY,EZZ,EXY,EXZ,EYZ,POT
  43
  44          REAL,DIMENSION(:,:,:) ::  EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  45                                    ESOUP,ESODW,ELAST
  46        END SUBROUTINE
  47       END INTERFACE
  48
  49 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  50
  51       CALL READ_INPUT()
  52
  53        RC=Rqd_Base+23.E0
  54        ZC=Hqd+23.E0
  55
  56
  57        RD  = Rqd_Base/RC    ! RD = Rqd_Base normalized to RC
  58        HD  = Hqd/ZC         ! HD = HQD normalized to ZC
  59
  60        D=DWL/ZC ! Wetting layer thick. normalized to ZC
  61
  62
  63 !!!  ELECTROSTATIC POTENTIAL AND STRAIN DISTRIBUTION !!!!!!!!!!!!!!!!!!
  64
  65       IF(PZO_Action.EQ.1.AND.STR_Action.EQ.1) THEN
  66
  67          ALLOCATE (P_SPONT(1:XDim,1:YDim,1:ZDim),&
  68                    P_PIEZO(1:XDim,1:YDim,1:ZDim) )
  69          ALLOCATE (EXX(1:XDim,1:YDim,1:ZDim),EYY(1:XDim,1:YDim,1:ZDim), &
  70                    EZZ(1:XDim,1:YDim,1:ZDim),EXZ(1:XDim,1:YDim,1:ZDim), &
  71                    EXY(1:XDim,1:YDim,1:ZDim),EYZ(1:XDim,1:YDim,1:ZDim) )
  72
  73          CALL CONSTANTS( )
  74
  75          WRITE(6,*)"Begins the calculation of the Electrostatic Potential"
  76          CALL PIEZO(P_SPONT,P_PIEZO)
  77          WRITE(6,*)"Calculation of the Electrostatic Potential Ended"
  78          WRITE(6,*)"Begins the calculation of the Strain Field"
  79          CALL STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  80          WRITE(6,*)"Calculation of the Strain Field Ended"
  81
  82          CALL NCPACK_PZ(P_SPONT,P_PIEZO)
  83          IF (KCOOR.EQ.0) THEN
  84              CALL NCPACK_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  85          ELSE
  86              CALL NCPACK_CYL(EXX,EYY,EZZ,EXZ)
  87          END IF
  88
  89       ELSE
  90
  91         IF(PZO_Action.EQ.1) THEN
  92          ALLOCATE (P_SPONT(1:XDim,1:YDim,1:ZDim),&
  93                    P_PIEZO(1:XDim,1:YDim,1:ZDim) )
  94
  95          CALL CONSTANTS_PZO( )
  96
  97          WRITE(6,*)"Begins the calculation of the Electrostatic Potential"
  98          CALL PIEZO(P_SPONT,P_PIEZO)
  99          WRITE(6,*)"Calculation of the Electrostatic Potential Ended"
 100
 101          CALL NCPACK_PZ(P_SPONT,P_PIEZO)
 102
 103         END IF
 104         IF(STR_Action.EQ.1) THEN
 105          ALLOCATE (EXX(1:XDim,1:YDim,1:ZDim),EYY(1:XDim,1:YDim,1:ZDim), &
 106                    EZZ(1:XDim,1:YDim,1:ZDim),EXZ(1:XDim,1:YDim,1:ZDim), &
 107                    EXY(1:XDim,1:YDim,1:ZDim),EYZ(1:XDim,1:YDim,1:ZDim) )
 108
 109          CALL CONSTANTS_STR( )
 110
 111          WRITE(6,*)"Begins the calculation of the Strain Field"
 112          CALL STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 113          WRITE(6,*)"Calculation of the Strain Field Ended"
 114
 115          IF (KCOOR.EQ.0) THEN
 116              CALL NCPACK_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 117          ELSE
 118              CALL NCPACK_CYL(EXX,EYY,EZZ,EXZ)
 119          END IF
 120
 121         END IF
 122
 123       END IF
 124
 125       IF(STR_Action.EQ.2) THEN
 126          ALLOCATE (EXX(1:XDim,1:YDim,1:ZDim),EYY(1:XDim,1:YDim,1:ZDim), &
 127                    EZZ(1:XDim,1:YDim,1:ZDim),EXZ(1:XDim,1:YDim,1:ZDim), &
 128                    EXY(1:XDim,1:YDim,1:ZDim),EYZ(1:XDim,1:YDim,1:ZDim) )
 129          IF (KCOOR.EQ.0) THEN
 130              CALL NCREAD_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 131          ELSE
 132              CALL NCREAD_CYL(EXX,EYY,EZZ,EXZ)
 133          END IF
 134       END IF
 135
 136       IF(PZO_Action.EQ.2) THEN
 137          ALLOCATE (P_SPONT(1:XDim,1:YDim,1:ZDim),&
 138                    P_PIEZO(1:XDim,1:YDim,1:ZDim) )
 139
 140          CALL NCREAD_PZ(P_SPONT,P_PIEZO)
 141
 142       END IF
 143
 144 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 145 !!!  CONFINEMENT POTENTIAL !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 146 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 147
 148       IF(POT_Action.NE.0) THEN
 149
 150          WRITE(6,*)"Begins the calculation of the Confinement Potential"
 151
 152          ALLOCATE (EEL(1:XDim,1:YDim,1:ZDim),EHHUP(1:XDim,1:YDim,1:ZDim), &
 153                    EHHDW(1:XDim,1:YDim,1:ZDim),ELHUP(1:XDim,1:YDim,1:ZDim), &
 154                    ELHDW(1:XDim,1:YDim,1:ZDim),ESOUP(1:XDim,1:YDim,1:ZDim), &
 155                    ESODW(1:XDim,1:YDim,1:ZDim),ELAST(1:XDim,1:YDim,1:ZDim))
 156
 157         SELECT CASE(MTYPE)
 158
 159           CASE(1)
 160             IF(STR_Action.GT.0) THEN
 161                CALL POTENTIAL_ZB(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 162                                  ESOUP,ESODW,ELAST,EXX,EYY,&
 163                                  EZZ,EXY,EXZ,EYZ)
 164             ELSE
 165                CALL POTENTIAL_ZB(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 166                                  ESOUP,ESODW,ELAST)
 167             END IF
 168           CASE(2:)
 169             IF(STR_Action.NE.0.AND.PZO_Action.NE.0) THEN
 170                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 171                                     ESOUP,ESODW,ELAST,EXX,EYY,&
 172                                     EZZ,EXY,EXZ,EYZ,&
 173                                     POT=P_SPONT+P_PIEZO)
 174             ELSE
 175
 176                IF(STR_Action.NE.0) &
 177                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 178                                     ESOUP,ESODW,ELAST,EXX,EYY,&
 179                                     EZZ,EXY,EXZ,EYZ)
 180
 181                IF(PZO_Action.NE.0) &
 182                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 183                                     ESOUP,ESODW,ELAST,&
 184                                     POT=P_SPONT+P_PIEZO)
 185             END IF
 186             IF(STR_Action.EQ.0.AND.PZO_Action.EQ.0) THEN
 187                   CALL POTENTIAL_WZ(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 188                                     ESOUP,ESODW,ELAST)
 189             END IF
 190
 191         END SELECT
 192
 193          WRITE(6,*)"Calculation of the Confinement Potential Ended"
 194
 195             CALL NCPACK_PT(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
 196                            ESOUP,ESODW,ELAST)
 197       END IF
 198
 199
 200   END PROGRAM POTDRV