diff --git a/src/input_xml.F90 b/src/input_xml.F90 index 5f9a909ff6..344b594138 100644 --- a/src/input_xml.F90 +++ b/src/input_xml.F90 @@ -2127,7 +2127,7 @@ contains integer :: index_nuclide ! index in nuclides integer :: index_sab ! index in sab_tables logical :: file_exists ! does materials.xml exist? - character(20) :: name ! name of isotope, e.g. 92235.03c + character(20) :: name ! name of nuclide, e.g. 92235.03c character(MAX_LINE_LEN) :: filename ! absolute path to materials.xml character(MAX_LINE_LEN) :: temp_str ! temporary string when reading type(VectorChar) :: names ! temporary list of nuclide names @@ -2314,7 +2314,7 @@ contains ! Get current number of nuclides n_nuc_ele = names % size() - ! Expand element into naturally-occurring isotopes + ! Expand element into naturally-occurring nuclides call expand_natural_element_names(name, names) ! Compute number of new nuclides from the natural element expansion @@ -4576,7 +4576,7 @@ contains ! EXPAND_NATURAL_ELEMENT_NAMES converts natural elements specified using an ! tag within a material and adds the names to the input names array. ! In some cases, modifications have been made to work with ENDF/B-VII.1 where -! evaluations of particular isotopes don't exist. +! evaluations of particular nuclides don't exist. !=============================================================================== subroutine expand_natural_element_names(name, names) @@ -4650,10 +4650,10 @@ contains !=============================================================================== ! EXPAND_NATURAL_ELEMENT_DENSITIES converts natural elements specified using an -! tag within a material into individual isotopes based on IUPAC +! tag within a material into individual nuclides based on IUPAC ! Isotopic Compositions of the Elements 2009 (doi:10.1351/PAC-REP-10-06-02). In ! some cases, modifications have been made to work with ENDF/B-VII.1 where -! evaluations of particular isotopes don't exist. +! evaluations of particular nuclides don't exist. !=============================================================================== subroutine expand_natural_element_densities(name, expand_by, density, & @@ -4662,17 +4662,17 @@ contains character(*), intent(in) :: expand_by ! "ao" or "wo" real(8), intent(in) :: density ! value for "ao" or "wo" real(8), intent(in) :: enrichment ! enrichment in weight % - type(VectorReal), intent(inout) :: densities ! isotope densities vector + type(VectorReal), intent(inout) :: densities ! nuclide densities vector integer :: i ! iterators - integer :: n_isotopes ! number of isotopes in the element + integer :: n_nuclides ! number of nuclides in the element integer :: natural_elements_loc ! location in global array integer :: nuclide_start ! ending nuclide in global array integer :: nuclide_end ! starting nuclide in global array character(2) :: element_name ! element atomic symbol real(8) :: element_awr ! element atomic weight ratio - real(8), allocatable :: awr(:) ! isotope atomic weight ratios - real(8), allocatable :: mf(:) ! isotope mole fractions + real(8), allocatable :: awr(:) ! nuclide atomic weight ratios + real(8), allocatable :: mf(:) ! nuclide mole fractions element_name = to_lower(name(1:2)) @@ -4725,15 +4725,15 @@ contains end select - ! Set the number of isotopes in this element - n_isotopes = nuclide_end - nuclide_start + ! Set the number of nuclides in this element + n_nuclides = nuclide_end - nuclide_start ! Allocate and initialize array for the atomic weight ratios - allocate(awr(n_isotopes)) + allocate(awr(n_nuclides)) awr = ONE ! Allocate and initialize array for mole fractions - allocate(mf(n_isotopes)) + allocate(mf(n_nuclides)) ! Add the nuclide names to the names array do i = nuclide_start, nuclide_end-1 @@ -4751,19 +4751,19 @@ contains ! Modify mole fractions if enrichment provided if (enrichment /= -ONE .and. element_name == 'u') then - ! Calculate the mass fractions of isotopes + ! Calculate the mass fractions of nuclides mf(1) = 0.008 * enrichment mf(2) = enrichment mf(3) = 1.0 - 1.008 * enrichment ! Convert the mass fractions to mole fractions - do i = 1, n_isotopes + do i = 1, n_nuclides mf(i) = mf(i) / awr(i) end do ! Normalize the mole fractions to ONE element_awr = sum(mf(:)) - do i = 1, n_isotopes + do i = 1, n_nuclides mf(i) = mf(i) / element_awr end do end if @@ -4774,18 +4774,18 @@ contains ! Compute the element awr element_awr = ZERO - do i = 1, n_isotopes + do i = 1, n_nuclides element_awr = element_awr + awr(i) * mf(i) end do ! Normalize the awr to the element awr - do i = 1, n_isotopes + do i = 1, n_nuclides awr(i) = awr(i) / element_awr end do end if ! Add the densities to the master array - do i = 1, n_isotopes + do i = 1, n_nuclides call densities % push_back(density * mf(i) * awr(i)) end do @@ -4895,7 +4895,7 @@ contains logical :: percent_in_atom ! nuclides specified in atom percent? logical :: density_in_atom ! density specified in atom/b-cm? logical :: file_exists ! does materials.xml exist? - character(20) :: name ! name of isotope, e.g. 92235.03c + character(20) :: name ! name of nuclide, e.g. 92235.03c character(MAX_WORD_LEN) :: units ! units on density character(MAX_LINE_LEN) :: filename ! materials.xml filename real(8) :: val ! value entered for density @@ -5047,7 +5047,7 @@ contains ! If enrichment was provided, issue error if (check_for_node(node_nuc, "enrichment")) then - call fatal_error("Cannot specify an enrichment for an isotope") + call fatal_error("Cannot specify an enrichment for a nuclide") end if ! Copy atom/weight percents @@ -5103,7 +5103,7 @@ contains enrichment = -ONE end if - ! Expand element into naturally-occurring isotopes + ! Expand element into naturally-occurring nuclides if (check_for_node(node_ele, "ao")) then call get_node_value(node_ele, "ao", temp_dble) call expand_natural_element_densities(name, "ao", temp_dble, &