diff --git a/src/lattice.f90 b/src/lattice.f90 index 4b87fccbf..637d585e5 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -548,6 +548,8 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, & !-------------------------------------------------------------------------------------------------- ! elasticity matrix of the target phase in cube orientation if (lattice_target == 'hP') then + ! https://doi.org/10.1063/1.1663858 eq. (16), eq. (18), eq. (19) + ! https://doi.org/10.1016/j.actamat.2016.07.032 eq. (47), eq. (48) if (cOverA_trans < 1.0_pReal .or. cOverA_trans > 2.0_pReal) & call IO_error(131,ext_msg='lattice_C66_trans: '//trim(lattice_target)) C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal @@ -2091,7 +2093,7 @@ function lattice_equivalent_nu(C,assumption) result(nu) K = (C(1,1)+C(2,2)+C(3,3) +2.0_pReal*(C(1,2)+C(2,3)+C(1,3))) & / 9.0_pReal elseif(IO_lc(assumption) == 'reuss') then - call math_invert(S,error,C) + call math_invert(S,error,C) ! ToDo: correct for Voigt? if(error) error stop 'matrix inversion failed' K = 1.0_pReal & / (S(1,1)+S(2,2)+S(3,3) +2.0_pReal*(S(1,2)+S(2,3)+S(1,3))) @@ -2123,7 +2125,7 @@ function lattice_equivalent_mu(C,assumption) result(mu) mu = (1.0_pReal*(C(1,1)+C(2,2)+C(3,3)) -1.0_pReal*(C(1,2)+C(2,3)+C(1,3)) +3.0_pReal*(C(4,4)+C(5,5)+C(6,6))) & / 15.0_pReal elseif(IO_lc(assumption) == 'reuss') then - call math_invert(S,error,C) + call math_invert(S,error,C) ! ToDo: correct for Voigt? if(error) error stop 'matrix inversion failed' mu = 15.0_pReal & / (4.0_pReal*(S(1,1)+S(2,2)+S(3,3)) -4.0_pReal*(S(1,2)+S(2,3)+S(1,3)) +3.0_pReal*(S(4,4)+S(5,5)+S(6,6)))