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standard names in source code

This commit is contained in:
Martin Diehl 2021-07-23 22:04:39 +02:00
parent c46813657f
commit 2a78174547
2 changed files with 17 additions and 21 deletions
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2
examples/config/Phase_Dislotungsten_W.yaml
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@ -16,7 +16,7 @@ h: [2.566e-10]
w: [2.992e-09] w: [2.992e-09]
B: [8.3e-5] B: [8.3e-5]
D_a: 1.0 # d_edge D_a: 1.0 # d_edge
# climb (disabled) # climb (disabled)
D_0: 0.0 D_0: 0.0
Q_cl: 0.0 Q_cl: 0.0

36
src/phase_mechanical_plastic_dislotungsten.f90
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@ -18,7 +18,7 @@ submodule(phase:plastic) dislotungsten
Q_cl = 1.0_pReal !< activation energy for dislocation climb Q_cl = 1.0_pReal !< activation energy for dislocation climb
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
b_sl, & !< magnitude of Burgers vector [m] b_sl, & !< magnitude of Burgers vector [m]
D_a, & d_caron, & !< distance of spontaneous annhihilation
i_sl, & !< Adj. parameter for distance between 2 forest dislocations i_sl, & !< Adj. parameter for distance between 2 forest dislocations
f_at, & !< factor to calculate atomic volume f_at, & !< factor to calculate atomic volume
tau_Peierls, & !< Peierls stress tau_Peierls, & !< Peierls stress
@ -172,7 +172,6 @@ module function plastic_dislotungsten_init() result(myPlasticity)
prm%D_0 = pl%get_asFloat('D_0') prm%D_0 = pl%get_asFloat('D_0')
prm%Q_cl = pl%get_asFloat('Q_cl') prm%Q_cl = pl%get_asFloat('Q_cl')
prm%f_at = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal prm%f_at = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
prm%D_a = pl%get_asFloat('D_a') * prm%b_sl
prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal = .false.) prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal = .false.)
@ -191,7 +190,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
prm%B = math_expand(prm%B, N_sl) prm%B = math_expand(prm%B, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl) prm%i_sl = math_expand(prm%i_sl, N_sl)
prm%f_at = math_expand(prm%f_at, N_sl) prm%f_at = math_expand(prm%f_at, N_sl)
prm%D_a = math_expand(prm%D_a, N_sl) prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl
! sanity checks ! sanity checks
if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0' if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
@ -202,12 +201,13 @@ module function plastic_dislotungsten_init() result(myPlasticity)
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl' if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s' if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls' if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls'
if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' D_a or b_sl' if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
if (any(prm%d_caron < 0.0_pReal)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
if (any(prm%f_at <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl' if (any(prm%f_at <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl'
else slipActive else slipActive
rho_mob_0= emptyRealArray; rho_dip_0 = emptyRealArray rho_mob_0= emptyRealArray; rho_dip_0 = emptyRealArray
allocate(prm%b_sl,prm%D_a,prm%i_sl,prm%f_at,prm%tau_Peierls, & allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, &
prm%Q_s,prm%v_0,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, & prm%Q_s,prm%v_0,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
source = emptyRealArray) source = emptyRealArray)
allocate(prm%forestProjection(0,0)) allocate(prm%forestProjection(0,0))
@ -316,8 +316,6 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
ph, & ph, &
en en
real(pReal) :: &
VacancyDiffusion
real(pReal), dimension(param(ph)%sum_N_sl) :: & real(pReal), dimension(param(ph)%sum_N_sl) :: &
dot_gamma_pos, dot_gamma_neg,& dot_gamma_pos, dot_gamma_neg,&
tau_pos,& tau_pos,&
@ -325,38 +323,36 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
v_cl, & v_cl, &
dot_rho_dip_formation, & dot_rho_dip_formation, &
dot_rho_dip_climb, & dot_rho_dip_climb, &
dip_distance d_hat
associate(prm => param(ph), stt => state(ph),& associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
dot => dotState(ph), dst => dependentState(ph))
call kinetics(Mp,T,ph,en,& call kinetics(Mp,T,ph,en,&
dot_gamma_pos,dot_gamma_neg, & dot_gamma_pos,dot_gamma_neg, &
tau_pos_out = tau_pos,tau_neg_out = tau_neg) tau_pos_out = tau_pos,tau_neg_out = tau_neg)
dot%gamma_sl(:,en) = (dot_gamma_pos+dot_gamma_neg) ! ToDo: needs to be abs dot%gamma_sl(:,en) = (dot_gamma_pos+dot_gamma_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D_0*exp(-prm%Q_cl/(kB*T))
where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
dot_rho_dip_formation = 0.0_pReal dot_rho_dip_formation = 0.0_pReal
dot_rho_dip_climb = 0.0_pReal dot_rho_dip_climb = 0.0_pReal
else where else where
dip_distance = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), & d_hat = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), &
prm%D_a, & ! lower limit prm%d_caron, & ! lower limit
dst%Lambda_sl(:,en)) ! upper limit dst%Lambda_sl(:,en)) ! upper limit
dot_rho_dip_formation = merge(2.0_pReal*dip_distance* stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation dot_rho_dip_formation = merge(2.0_pReal*d_hat* stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, & 0.0_pReal, &
prm%dipoleformation) prm%dipoleformation)
v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%f_at/(2.0_pReal*pi*kB*T)) & v_cl = (3.0_pReal*prm%mu*prm%D_0*exp(-prm%Q_cl/(kB*T))*prm%f_at/(2.0_pReal*PI*kB*T)) &
* (1.0_pReal/(dip_distance+prm%D_a)) * (1.0_pReal/(d_hat+prm%d_caron))
dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency? dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
end where end where
dot%rho_mob(:,en) = abs(dot%gamma_sl(:,en))/(prm%b_sl*dst%Lambda_sl(:,en)) & ! multiplication dot%rho_mob(:,en) = abs(dot%gamma_sl(:,en))/(prm%b_sl*dst%Lambda_sl(:,en)) & ! multiplication
- dot_rho_dip_formation & - dot_rho_dip_formation &
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en)) ! Spontaneous annihilation of 2 single edge dislocations - (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en)) ! Spontaneous annihilation of 2 edges
dot%rho_dip(:,en) = dot_rho_dip_formation & dot%rho_dip(:,en) = dot_rho_dip_formation &
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,en)*abs(dot%gamma_sl(:,en)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent - (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_dip(:,en)*abs(dot%gamma_sl(:,en)) & ! Spontaneous annihilation of an edge with a dipole
- dot_rho_dip_climb - dot_rho_dip_climb
end associate end associate