Source code for openmc.model.funcs

from collections.abc import Iterable
from functools import partial
from math import sqrt
from numbers import Real
from operator import attrgetter
from warnings import warn

from openmc import (
    XPlane, YPlane, Plane, ZCylinder, Cylinder, XCylinder,
    YCylinder, Universe, Cell)
from ..checkvalue import (
    check_type, check_value, check_length, check_less_than,
    check_iterable_type)
import openmc.data


ZERO_CELSIUS_TO_KELVIN = 273.15
ZERO_FAHRENHEIT_TO_KELVIN = 459.67
PSI_TO_MPA = 0.006895


[docs]def borated_water(boron_ppm, temperature=293., pressure=0.1013, temp_unit='K', press_unit='MPa', density=None, **kwargs): """Return a Material with the composition of boron dissolved in water. The water density can be determined from a temperature and pressure, or it can be set directly. The concentration of boron has no effect on the stoichiometric ratio of H and O---they are fixed at 2-1. Parameters ---------- boron_ppm : float The weight fraction in parts-per-million of elemental boron in the water. temperature : float Temperature in [K] used to compute water density. pressure : float Pressure in [MPa] used to compute water density. temp_unit : {'K', 'C', 'F'} The units used for the `temperature` argument. press_unit : {'MPa', 'psi'} The units used for the `pressure` argument. density : float Water density in [g / cm^3]. If specified, this value overrides the temperature and pressure arguments. **kwargs All keyword arguments are passed to the created Material object. Returns ------- openmc.Material """ # Perform any necessary unit conversions. check_value('temperature unit', temp_unit, ('K', 'C', 'F')) if temp_unit == 'K': T = temperature elif temp_unit == 'C': T = temperature + ZERO_CELSIUS_TO_KELVIN elif temp_unit == 'F': T = (temperature + ZERO_FAHRENHEIT_TO_KELVIN) * (5/9) check_value('pressure unit', press_unit, ('MPa', 'psi')) if press_unit == 'MPa': P = pressure elif press_unit == 'psi': P = pressure * PSI_TO_MPA # Set the density of water, either from an explicitly given density or from # temperature and pressure. if density is not None: water_density = density else: water_density = openmc.data.water_density(T, P) # Compute the density of the solution. solution_density = water_density / (1 - boron_ppm * 1e-6) # Compute the molar mass of pure water. hydrogen = openmc.Element('H') oxygen = openmc.Element('O') M_H2O = 0.0 for iso_name, frac, junk in hydrogen.expand(2.0, 'ao'): M_H2O += frac * openmc.data.atomic_mass(iso_name) for iso_name, frac, junk in oxygen.expand(1.0, 'ao'): M_H2O += frac * openmc.data.atomic_mass(iso_name) # Compute the molar mass of boron. boron = openmc.Element('B') M_B = 0.0 for iso_name, frac, junk in boron.expand(1.0, 'ao'): M_B += frac * openmc.data.atomic_mass(iso_name) # Compute the number fractions of each element. frac_H2O = (1 - boron_ppm * 1e-6) / M_H2O frac_H = 2 * frac_H2O frac_O = frac_H2O frac_B = boron_ppm * 1e-6 / M_B # Build the material. if density is None: out = openmc.Material(temperature=T, **kwargs) else: out = openmc.Material(**kwargs) out.add_element('H', frac_H, 'ao') out.add_element('O', frac_O, 'ao') out.add_element('B', frac_B, 'ao') out.set_density('g/cc', solution_density) out.add_s_alpha_beta('c_H_in_H2O') return out
[docs]def rectangular_prism(width, height, axis='z', origin=(0., 0.), boundary_type='transmission', corner_radius=0.): """Get an infinite rectangular prism from four planar surfaces. .. versionchanged:: 0.11 This function was renamed from `get_rectangular_prism` to `rectangular_prism`. Parameters ---------- width: float Prism width in units of cm. The width is aligned with the y, x, or x axes for prisms parallel to the x, y, or z axis, respectively. height: float Prism height in units of cm. The height is aligned with the z, z, or y axes for prisms parallel to the x, y, or z axis, respectively. axis : {'x', 'y', 'z'} Axis with which the infinite length of the prism should be aligned. Defaults to 'z'. origin: Iterable of two floats Origin of the prism. The two floats correspond to (y,z), (x,z) or (x,y) for prisms parallel to the x, y or z axis, respectively. Defaults to (0., 0.). boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} Boundary condition that defines the behavior for particles hitting the surfaces comprising the rectangular prism (default is 'transmission'). corner_radius: float Prism corner radius in units of cm. Defaults to 0. Returns ------- openmc.Region The inside of a rectangular prism """ check_type('width', width, Real) check_type('height', height, Real) check_type('corner_radius', corner_radius, Real) check_value('axis', axis, ['x', 'y', 'z']) check_type('origin', origin, Iterable, Real) # Define function to create a plane on given axis def plane(axis, name, value): cls = globals()['{}Plane'.format(axis.upper())] return cls(name='{} {}'.format(name, axis), boundary_type=boundary_type, **{axis + '0': value}) if axis == 'x': x1, x2 = 'y', 'z' elif axis == 'y': x1, x2 = 'x', 'z' else: x1, x2 = 'x', 'y' # Get cylinder class corresponding to given axis cyl = globals()['{}Cylinder'.format(axis.upper())] # Create rectangular region min_x1 = plane(x1, 'minimum', -width/2 + origin[0]) max_x1 = plane(x1, 'maximum', width/2 + origin[0]) min_x2 = plane(x2, 'minimum', -height/2 + origin[1]) max_x2 = plane(x2, 'maximum', height/2 + origin[1]) prism = +min_x1 & -max_x1 & +min_x2 & -max_x2 # Handle rounded corners if given if corner_radius > 0.: args = {'R': corner_radius, 'boundary_type': boundary_type} args[x1 + '0'] = origin[0] - width/2 + corner_radius args[x2 + '0'] = origin[1] - height/2 + corner_radius x1_min_x2_min = cyl(name='{} min {} min'.format(x1, x2), **args) args[x1 + '0'] = origin[0] - width/2 + corner_radius args[x2 + '0'] = origin[1] - height/2 + corner_radius x1_min_x2_min = cyl(name='{} min {} min'.format(x1, x2), **args) args[x1 + '0'] = origin[0] - width/2 + corner_radius args[x2 + '0'] = origin[1] + height/2 - corner_radius x1_min_x2_max = cyl(name='{} min {} max'.format(x1, x2), **args) args[x1 + '0'] = origin[0] + width/2 - corner_radius args[x2 + '0'] = origin[1] - height/2 + corner_radius x1_max_x2_min = cyl(name='{} max {} min'.format(x1, x2), **args) args[x1 + '0'] = origin[0] + width/2 - corner_radius args[x2 + '0'] = origin[1] + height/2 - corner_radius x1_max_x2_max = cyl(name='{} max {} max'.format(x1, x2), **args) x1_min = plane(x1, 'min', -width/2 + origin[0] + corner_radius) x1_max = plane(x1, 'max', width/2 + origin[0] - corner_radius) x2_min = plane(x2, 'min', -height/2 + origin[1] + corner_radius) x2_max = plane(x2, 'max', height/2 + origin[1] - corner_radius) corners = (+x1_min_x2_min & -x1_min & -x2_min) | \ (+x1_min_x2_max & -x1_min & +x2_max) | \ (+x1_max_x2_min & +x1_max & -x2_min) | \ (+x1_max_x2_max & +x1_max & +x2_max) prism = prism & ~corners return prism
def get_rectangular_prism(*args, **kwargs): warn("get_rectangular_prism(...) has been renamed rectangular_prism(...). " "Future versions of OpenMC will not accept get_rectangular_prism.", FutureWarning) return rectangular_prism(*args, **kwargs)
[docs]def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.), boundary_type='transmission', corner_radius=0.): """Create a hexagon region from six surface planes. .. versionchanged:: 0.11 This function was renamed from `get_hexagonal_prism` to `hexagonal_prism`. Parameters ---------- edge_length : float Length of a side of the hexagon in cm orientation : {'x', 'y'} An 'x' orientation means that two sides of the hexagon are parallel to the x-axis and a 'y' orientation means that two sides of the hexagon are parallel to the y-axis. origin: Iterable of two floats Origin of the prism. Defaults to (0., 0.). boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'} Boundary condition that defines the behavior for particles hitting the surfaces comprising the hexagonal prism (default is 'transmission'). corner_radius: float Prism corner radius in units of cm. Defaults to 0. Returns ------- openmc.Region The inside of a hexagonal prism """ l = edge_length x, y = origin if orientation == 'y': right = XPlane(x + sqrt(3.)/2*l, boundary_type=boundary_type) left = XPlane(x - sqrt(3.)/2*l, boundary_type=boundary_type) c = sqrt(3.)/3. # y = -x/sqrt(3) + a upper_right = Plane(a=c, b=1., d=l+x*c+y, boundary_type=boundary_type) # y = x/sqrt(3) + a upper_left = Plane(a=-c, b=1., d=l-x*c+y, boundary_type=boundary_type) # y = x/sqrt(3) - a lower_right = Plane(a=-c, b=1., d=-l-x*c+y, boundary_type=boundary_type) # y = -x/sqrt(3) - a lower_left = Plane(a=c, b=1., d=-l+x*c+y, boundary_type=boundary_type) prism = -right & +left & -upper_right & -upper_left & \ +lower_right & +lower_left if boundary_type == 'periodic': right.periodic_surface = left upper_right.periodic_surface = lower_left lower_right.periodic_surface = upper_left elif orientation == 'x': top = YPlane(y0=y + sqrt(3.)/2*l, boundary_type=boundary_type) bottom = YPlane(y0=y - sqrt(3.)/2*l, boundary_type=boundary_type) c = sqrt(3.) # y = -sqrt(3)*(x - a) upper_right = Plane(a=c, b=1., d=c*l+x*c+y, boundary_type=boundary_type) # y = sqrt(3)*(x + a) lower_right = Plane(a=-c, b=1., d=-c*l-x*c+y, boundary_type=boundary_type) # y = -sqrt(3)*(x + a) lower_left = Plane(a=c, b=1., d=-c*l+x*c+y, boundary_type=boundary_type) # y = sqrt(3)*(x + a) upper_left = Plane(a=-c, b=1., d=c*l-x*c+y, boundary_type=boundary_type) prism = -top & +bottom & -upper_right & +lower_right & \ +lower_left & -upper_left if boundary_type == 'periodic': top.periodic_surface = bottom upper_right.periodic_surface = lower_left lower_right.periodic_surface = upper_left # Handle rounded corners if given if corner_radius > 0.: if boundary_type == 'periodic': raise ValueError('Periodic boundary conditions not permitted when ' 'rounded corners are used.') c = sqrt(3.)/2 t = l - corner_radius/c # Cylinder with corner radius and boundary type pre-applied cyl1 = partial(ZCylinder, r=corner_radius, boundary_type=boundary_type) cyl2 = partial(ZCylinder, r=corner_radius/(2*c), boundary_type=boundary_type) if orientation == 'x': x_min_y_min_in = cyl1(name='x min y min in', x0=x-t/2, y0=y-c*t) x_min_y_max_in = cyl1(name='x min y max in', x0=x+t/2, y0=y-c*t) x_max_y_min_in = cyl1(name='x max y min in', x0=x-t/2, y0=y+c*t) x_max_y_max_in = cyl1(name='x max y max in', x0=x+t/2, y0=y+c*t) x_min_in = cyl1(name='x min in', x0=x-t, y0=y) x_max_in = cyl1(name='x max in', x0=x+t, y0=y) x_min_y_min_out = cyl2(name='x min y min out', x0=x-l/2, y0=y-c*l) x_min_y_max_out = cyl2(name='x min y max out', x0=x+l/2, y0=y-c*l) x_max_y_min_out = cyl2(name='x max y min out', x0=x-l/2, y0=y+c*l) x_max_y_max_out = cyl2(name='x max y max out', x0=x+l/2, y0=y+c*l) x_min_out = cyl2(name='x min out', x0=x-l, y0=y) x_max_out = cyl2(name='x max out', x0=x+l, y0=y) corners = (+x_min_y_min_in & -x_min_y_min_out | +x_min_y_max_in & -x_min_y_max_out | +x_max_y_min_in & -x_max_y_min_out | +x_max_y_max_in & -x_max_y_max_out | +x_min_in & -x_min_out | +x_max_in & -x_max_out) elif orientation == 'y': x_min_y_min_in = cyl1(name='x min y min in', x0=x-c*t, y0=y-t/2) x_min_y_max_in = cyl1(name='x min y max in', x0=x-c*t, y0=y+t/2) x_max_y_min_in = cyl1(name='x max y min in', x0=x+c*t, y0=y-t/2) x_max_y_max_in = cyl1(name='x max y max in', x0=x+c*t, y0=y+t/2) y_min_in = cyl1(name='y min in', x0=x, y0=y-t) y_max_in = cyl1(name='y max in', x0=x, y0=y+t) x_min_y_min_out = cyl2(name='x min y min out', x0=x-c*l, y0=y-l/2) x_min_y_max_out = cyl2(name='x min y max out', x0=x-c*l, y0=y+l/2) x_max_y_min_out = cyl2(name='x max y min out', x0=x+c*l, y0=y-l/2) x_max_y_max_out = cyl2(name='x max y max out', x0=x+c*l, y0=y+l/2) y_min_out = cyl2(name='y min out', x0=x, y0=y-l) y_max_out = cyl2(name='y max out', x0=x, y0=y+l) corners = (+x_min_y_min_in & -x_min_y_min_out | +x_min_y_max_in & -x_min_y_max_out | +x_max_y_min_in & -x_max_y_min_out | +x_max_y_max_in & -x_max_y_max_out | +y_min_in & -y_min_out | +y_max_in & -y_max_out) prism = prism & ~corners return prism
def get_hexagonal_prism(*args, **kwargs): warn("get_hexagonal_prism(...) has been renamed hexagonal_prism(...). " "Future versions of OpenMC will not accept get_hexagonal_prism.", FutureWarning) return hexagonal_prism(*args, **kwargs) cylinder_from_points = Cylinder.from_points
[docs]def subdivide(surfaces): """Create regions separated by a series of surfaces. This function allows regions to be constructed from a set of a surfaces that are "in order". For example, if you had four instances of :class:`openmc.ZPlane` at z=-10, z=-5, z=5, and z=10, this function would return a list of regions corresponding to z < -10, -10 < z < -5, -5 < z < 5, 5 < z < 10, and 10 < z. That is, for n surfaces, n+1 regions are returned. Parameters ---------- surfaces : sequence of openmc.Surface Surfaces separating regions Returns ------- list of openmc.Region Regions formed by the given surfaces """ regions = [-surfaces[0]] for s0, s1 in zip(surfaces[:-1], surfaces[1:]): regions.append(+s0 & -s1) regions.append(+surfaces[-1]) return regions
[docs]def pin(surfaces, items, subdivisions=None, divide_vols=True, **kwargs): """Convenience function for building a fuel pin Parameters ---------- surfaces : iterable of :class:`openmc.Cylinder` Cylinders used to define boundaries between items. All cylinders must be concentric and of the same orientation, e.g. all :class:`openmc.ZCylinder` items : iterable Objects to go between ``surfaces``. These can be anything that can fill a :class:`openmc.Cell`, including :class:`openmc.Material`, or other :class:`openmc.Universe` objects. There must be one more item than surfaces, which will span all space outside the final ring. subdivisions : None or dict of int to int Dictionary describing which rings to subdivide and how many times. Keys are indexes of the annular rings to be divided. Will construct equal area rings divide_vols : bool If this evaluates to ``True``, then volumes of subdivided :class:`openmc.Material` instances will also be divided by the number of divisions. Otherwise the volume of the original material will not be modified before subdivision kwargs: Additional key-word arguments to be passed to :class:`openmc.Universe`, like ``name="Fuel pin"`` Returns ------- :class:`openmc.Universe` Universe of concentric cylinders filled with the desired items """ if "cells" in kwargs: raise ValueError( "Cells will be set by this function, not from input arguments.") check_type("items", items, Iterable) check_length("surfaces", surfaces, len(items) - 1, len(items) - 1) # Check that all surfaces are of similar orientation check_type("surface", surfaces[0], Cylinder) surf_type = type(surfaces[0]) check_iterable_type("surfaces", surfaces[1:], surf_type) # Check for increasing radii and equal centers if surf_type is ZCylinder: center_getter = attrgetter("x0", "y0") elif surf_type is YCylinder: center_getter = attrgetter("x0", "z0") elif surf_type is XCylinder: center_getter = attrgetter("z0", "y0") else: raise TypeError( "Not configured to interpret {} surfaces".format( surf_type.__name__)) centers = set() prev_rad = 0 for ix, surf in enumerate(surfaces): cur_rad = surf.r if cur_rad <= prev_rad: raise ValueError( "Surfaces do not appear to be increasing in radius. " "Surface {} at index {} has radius {:7.3e} compared to " "previous radius of {:7.5e}".format( surf.id, ix, cur_rad, prev_rad)) prev_rad = cur_rad centers.add(center_getter(surf)) if len(centers) > 1: raise ValueError( "Surfaces do not appear to be concentric. The following " "centers were found: {}".format(centers)) if subdivisions is not None: check_length("subdivisions", subdivisions, 1, len(surfaces)) orig_indexes = list(subdivisions.keys()) check_iterable_type("ring indexes", orig_indexes, int) check_iterable_type( "number of divisions", list(subdivisions.values()), int) for ix in orig_indexes: if ix < 0: subdivisions[len(surfaces) + ix] = subdivisions.pop(ix) # Dissallow subdivision on outer most, infinite region check_less_than( "outer ring", max(subdivisions), len(surfaces), equality=True) # ensure ability to concatenate if not isinstance(items, list): items = list(items) if not isinstance(surfaces, list): surfaces = list(surfaces) # generate equal area divisions # Adding N - 1 new regions # N - 2 surfaces are made # Original cell is not removed, but not occupies last ring for ring_index in reversed(sorted(subdivisions.keys())): nr = subdivisions[ring_index] new_surfs = [] lower_rad = 0.0 if ring_index == 0 else surfaces[ring_index - 1].r upper_rad = surfaces[ring_index].r area_term = (upper_rad ** 2 - lower_rad ** 2) / nr for new_index in range(nr - 1): lower_rad = sqrt(area_term + lower_rad ** 2) new_surfs.append(surf_type(r=lower_rad)) surfaces = ( surfaces[:ring_index] + new_surfs + surfaces[ring_index:]) filler = items[ring_index] if (divide_vols and hasattr(filler, "volume") and filler.volume is not None): filler.volume /= nr items[ring_index:ring_index] = [ filler.clone() for _i in range(nr - 1)] # Build the universe regions = subdivide(surfaces) cells = [Cell(fill=f, region=r) for r, f in zip(regions, items)] return Universe(cells=cells, **kwargs)