diff --git a/examples/config/Phase_Nonlocal_Aluminum.config b/examples/config/Phase_Nonlocal_Aluminum.config index 2af3a2b8b..500dcf69d 100644 --- a/examples/config/Phase_Nonlocal_Aluminum.config +++ b/examples/config/Phase_Nonlocal_Aluminum.config @@ -25,10 +25,6 @@ plasticity nonlocal lattice_structure fcc Nslip 12 # number of slip systems -c11 106.75e9 # elastic constants -c12 60.41e9 -c44 28.34e9 - burgers 2.86e-10 # Burgers vector in m rhoSglEdgePos0 0.25e10 # Initial positive edge single dislocation density in m/m**3 (per slip family) rhoSglEdgeNeg0 0.25e10 # Initial negative edge single dislocation density in m/m**3 (per slip family) diff --git a/examples/config/Phase_Nonlocal_Nickel.config b/examples/config/Phase_Nonlocal_Nickel.config index ab6505c50..c3814adeb 100644 --- a/examples/config/Phase_Nonlocal_Nickel.config +++ b/examples/config/Phase_Nonlocal_Nickel.config @@ -24,9 +24,6 @@ plasticity nonlocal lattice_structure fcc Nslip 12 # number of slip systems per family -c11 246.5e9 -c12 147.3e9 -c44 124.7e9 burgers 2.48e-10 # Burgers vector in m rhoSglEdgePos0 6e10 # Initial positive edge single dislocation density in m/m**3 rhoSglEdgeNeg0 6e10 # Initial negative edge single dislocation density in m/m**3 diff --git a/examples/config/phase/mechanical/elastic/Aluminum.yaml b/examples/config/phase/mechanical/elastic/Aluminum.yaml deleted file mode 100644 index a1fa22a97..000000000 --- a/examples/config/phase/mechanical/elastic/Aluminum.yaml +++ /dev/null @@ -1,4 +0,0 @@ -Aluminum: - lattice: cF - mechanical: - elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} diff --git a/examples/config/phase/mechanical/elastic/Hooke_Al.yaml b/examples/config/phase/mechanical/elastic/Hooke_Al.yaml new file mode 100644 index 000000000..fd3a5ddc2 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_Al.yaml @@ -0,0 +1,12 @@ +Al: + lattice: cF + mechanical: + elastic: + type: Hooke + references: + - J. Vallin et al., + Journal of Applied Physics 35(6), 1825-1826, 1964, + https://doi.org/10.1063/1.1713749 + C_11: 107.3e9 + C_12: 60.8e9 + C_44: 28.3e9 diff --git a/examples/config/phase/mechanical/elastic/Hooke_Au.yaml b/examples/config/phase/mechanical/elastic/Hooke_Au.yaml new file mode 100644 index 000000000..8a3249e15 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_Au.yaml @@ -0,0 +1,12 @@ +Au: + lattice: cF + mechanical: + elastic: + type: Hooke + references: + - J.P. Hirth and J. Lothe, + Theory of Dislocations, 1982, + John Wiley & Sons + C_11: 186e9 + C_12: 157e9 + C_44: 42e9 diff --git a/examples/config/phase/mechanical/elastic/Hooke_Ni.yaml b/examples/config/phase/mechanical/elastic/Hooke_Ni.yaml new file mode 100644 index 000000000..bbfd867e5 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_Ni.yaml @@ -0,0 +1,12 @@ +Ni: + lattice: cF + mechanical: + elastic: + type: Hooke + references: + - J.P. Hirth and J. Lothe, + Theory of Dislocations, 1982, + John Wiley & Sons + C_11: 246.5e9 + C_12: 147.3e9 + C_44: 124.7e9 diff --git a/examples/config/phase/mechanical/elastic/Hooke_cpTi.yaml b/examples/config/phase/mechanical/elastic/Hooke_cpTi.yaml new file mode 100644 index 000000000..f2936d390 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_cpTi.yaml @@ -0,0 +1,15 @@ +cpTi: + lattice: hP + c/a: 1.587 + mechanical: + elastic: + type: Hooke + references: + - L. Wang et al., + Acta Materialia 132, 598-610, 2017, + https://doi.org/10.1016/j.actamat.2017.05.015 + C_11: 162.4e9 + C_33: 181.6e9 + C_44: 47.2e9 + C_12: 92e9 + C_13: 69e9 diff --git a/src/phase_mechanical.f90 b/src/phase_mechanical.f90 index 58f0f831c..d692ac4dc 100644 --- a/src/phase_mechanical.f90 +++ b/src/phase_mechanical.f90 @@ -254,7 +254,7 @@ module subroutine mechanical_init(materials,phases) output_constituent(ph)%label = mech%get_asStrings('output',defaultVal=emptyStringArray) #endif elastic => mech%get('elastic') - if(elastic%get_asString('type') == 'hooke') then + if (IO_lc(elastic%get_asString('type')) == 'hooke') then ! accept small letter h for the moment phase_elasticity(ph) = ELASTICITY_HOOKE_ID else call IO_error(200,ext_msg=elastic%get_asString('type')) diff --git a/src/phase_mechanical_plastic_nonlocal.f90 b/src/phase_mechanical_plastic_nonlocal.f90 index d884f5117..e4e008fab 100644 --- a/src/phase_mechanical_plastic_nonlocal.f90 +++ b/src/phase_mechanical_plastic_nonlocal.f90 @@ -1671,7 +1671,6 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem dv_dtauNS !< velocity derivative with respect to resolved shear stress (including non Schmid contributions) integer :: & - ns, & !< short notation for the total number of active slip systems s !< index of my current slip system real(pReal) :: & tauRel_P, & @@ -1697,12 +1696,11 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem mobility !< dislocation mobility associate(prm => param(ph)) - ns = prm%sum_N_sl v = 0.0_pReal dv_dtau = 0.0_pReal dv_dtauNS = 0.0_pReal - do s = 1,ns + do s = 1,prm%sum_N_sl if (abs(tau(s)) > tauThreshold(s)) then !* Peierls contribution