def compute_inputsToBeModified(temperature,
flow_velocity,
nb_pts_in_interface,
ratio_interface_separation,
ratio_bubble_interface,
ratio_interface_influence,
CFL_constant,
total_nb_files,
dct_distance,
md_threshold_ac,
md_threshold,
flow_direction='x'):
"""Determine the inputs to be modified in the input.txt
file for the simulation with two bubbles transported by the
mean flow
Args:
temperature (double) : mean flow temperature
flow_velocity (double) : mean flow velocity
nb_pts_in_interface (int) : number of grid-points needed
to resolve the interface profile
ratio_interface_separation (double) : length (expressed as
a fraction of the width of the interface) separating the
two bubbles
ratio_bubble_interface (double) : ratio between bubble
diameter and interface width
ratio_interface_influence (double) : length threshold
(expressed as a fraction of the width of the interface)
above which the interface is not supposed to interact
with the border
CFL_constant (double) : CFL threshold (0-1)
total_nb_files (int) : total nb of files written
dct_distance (int) : distance between the detectors and
the boundary expressed as a number of gridpoints
md_threshold_ac (int) : activate the increase of the computational
domain with a mass density threshold
md_threshold (double) : mass density threshold to activate the
increase of the computational domain (between 0 and 1)
Returns:
inputsToBeModified (dict) :
- dict[key] : name of the input to be modified
- dict[value] : value of the input to be modified
"""
# extract length_c, dim2d_a, dim2d_b, dim2d_M, dim2d_cv, dim2d_R
# and dim2d_K from the dim2d_parameters.f fortran file
dim2dParamPath = os.path.join(os.getenv('augeanstables'),
'src',
'physical_models',
'dim2d',
'dim2d_parameters.f')
if(os.path.isfile(dim2dParamPath)):
length_c = float(get_parameter('length_c', dim2dParamPath))
dim2d_a = float(get_parameter( 'dim2d_a', dim2dParamPath))
dim2d_b = float(get_parameter( 'dim2d_b', dim2dParamPath))
dim2d_M = float(get_parameter( 'dim2d_M', dim2dParamPath))
dim2d_cv = float(get_parameter('dim2d_cv', dim2dParamPath))
dim2d_R = float(get_parameter( 'dim2d_R', dim2dParamPath))
dim2d_K = float(get_parameter( 'dim2d_K', dim2dParamPath))
else:
sys.exit('*** '+dim2dParamPath+' does not exist***')
# compute the Weber number
we = get_we(length_c, dim2d_a, dim2d_b, dim2d_M, dim2d_K)
# compute the interface length from the temperature
interface_length = get_interface_length(we,temperature)
# compute the bubble diameter
bubble_diameter = interface_length*ratio_bubble_interface
# compute the extent of the domain
[Lx,Ly] = get_domain_sizes(bubble_diameter,
interface_length,
ratio_interface_influence,
ratio_interface_separation)
# compute the maximum space step from the interface length
dx_max = get_interface_space_step(interface_length,
nb_pts_in_interface)
# get the extent of the domain
# x_min : domain_extent[0][0]
# x_max : domain_extent[1][0]
# y_min : domain_extent[0][1]
# y_max : domain_extent[1][1]
domain_extent = get_domain_extent(Lx,Ly,dx_max,dx_max)
# compute the reduced heat capacity
cv_r = get_cv_r(dim2d_M,dim2d_cv,dim2d_R)
# compute the maximum speed of sound in the flow
speed_of_sound = get_max_speed_of_sound(temperature,cv_r)
# compute the maximum time step ensuring numerical stability
speed_max = speed_of_sound + abs(flow_velocity)
dt_max = get_dt_max(dx_max,speed_max,CFL_constant)
# determine the simulation time needed to let the two bubbles
# leave the computational domain
simulation_time = get_simulation_time(Lx,
bubble_diameter,
ratio_interface_separation*interface_length,
ratio_interface_influence*interface_length,
flow_velocity)
# determine the detail print
detail_print = get_detail_print(total_nb_files,
simulation_time,
dt_max)
# gather the inputs to be modified in a dictionnary
inputsToBeModified = {
'detail_print' : detail_print,
'dt' : dt_max,
't_max' : simulation_time,
'dx' : dx_max,
'dy' : dx_max,
'flow_velocity' : flow_velocity,
'temperature' : temperature,
'li_separation' : ratio_interface_separation,
'openbc_detector_distance' : dct_distance,
'openbc_md_threshold_ac' : md_threshold_ac,
'openbc_md_threshold' : md_threshold}
if(flow_direction=='x'):
inputsToBeModified.update({'x_min' : domain_extent[0][0],
'x_max' : domain_extent[1][0],
'y_min' : domain_extent[0][1],
'y_max' : domain_extent[1][1],
'flow_direction' : 'E'})
else:
if(flow_direction!='y'):
sys.exit('create_bb_tr_input: '+
'compute_inputsToBeModified: '+
'flow_direction not recognized')
sys.exit(2)
inputsToBeModified.update({'x_min' : domain_extent[0][1],
'x_max' : domain_extent[1][1],
'y_min' : domain_extent[0][0],
'y_max' : domain_extent[1][0],
'flow_direction' : 'N'})
return inputsToBeModified
def get_inputsToBeModified(steady_state_ac,
temperature,
micro_contact_angle,
phase_at_center,
gravity_ac,
gravity_amp,
nb_pts_in_interface,
ratio_bubble_interface,
ratio_eq_length_domain,
ratio_drop_length_domain,
CFL_constant,
total_nb_files,
spherical_cap=False):
'''
@description
determine the inputs to be modified in the template.txt
template input file to run the DIM2D simulation for a steady
state of a drop/bubble on a wall
'''
# extract length_c, dim2d_a, dim2d_b, dim2d_M, dim2d_cv, dim2d_R
# and dim2d_K from the dim2d_parameters.f fortran file
dim2dParamPath = os.path.join(os.getenv('augeanstables'),
'src',
'physical_models',
'dim2d',
'dim2d_parameters.f')
if(os.path.isfile(dim2dParamPath)):
length_c = float(get_parameter('length_c', dim2dParamPath))
dim2d_a = float(get_parameter( 'dim2d_a', dim2dParamPath))
dim2d_b = float(get_parameter( 'dim2d_b', dim2dParamPath))
dim2d_M = float(get_parameter( 'dim2d_M', dim2dParamPath))
dim2d_cv = float(get_parameter('dim2d_cv', dim2dParamPath))
dim2d_R = float(get_parameter( 'dim2d_R', dim2dParamPath))
dim2d_K = float(get_parameter( 'dim2d_K', dim2dParamPath))
else:
sys.exit('*** '+dim2dParamPath+' does not exist***')
# compute the Weber number
we = get_we(length_c, dim2d_a, dim2d_b, dim2d_M, dim2d_K)
if(debug): print 'we: ', we
# compute the interface length from the temperature
interface_lgh = get_interface_length(we,temperature)
if(debug): print 'interface_length: ', interface_lgh
# compute the bubble diameter from the interface length
bubble_diameter = 3.0*interface_lgh*sqrt(2.0) #get_bubble_diameter(interface_lgh,
# ratio_bubble_interface)
if(debug): print 'bubble_diameter: ', bubble_diameter
# compute the x_max of the domain
eq_length = get_equilibrium_length(micro_contact_angle,bubble_diameter)
x_max = get_x_max(bubble_diameter,eq_length,ratio_eq_length_domain)
if(debug): print 'x_max: ', x_max
# compute the y_max of the domain
y_max = x_max #get_y_max(bubble_diameter,ratio_drop_length_domain)
if(debug): print 'y_max: ', y_max
# compute the maximum space step from the interface length
dx_max = get_interface_space_step(interface_lgh,
nb_pts_in_interface)
if(debug): print 'dx_max: ', dx_max
# compute the extent of the domain as a matrix
# x_min : domain_extent[0][0]
# x_max : domain_extent[1][0]
# y_min : domain_extent[0][1]
# y_max : domain_extent[1][1]
domain_extent = get_wall_domain_extent(x_max,y_max,dx_max)
if(debug): print 'domain_extent: ', domain_extent
# compute the reduced heat capacity
cv_r = get_cv_r(dim2d_M,dim2d_cv,dim2d_R)
# compute the maximum speed of sound in the flow
speed_of_sound = get_max_speed_of_sound(temperature,cv_r)
# compute the maximum time step ensuring numerical stability
flow_velocity = 0.0
speed_max = speed_of_sound
if(debug): print 'speed_of_sound: ', speed_of_sound
dt_max = get_dt_max(dx_max,speed_max,CFL_constant,precision_c=6)
if(debug): print 'dt_max: ', dt_max
# determine the maximum simulation time
simulation_time = 200.0
# determine the detail print
detail_print = get_detail_print(total_nb_files,
simulation_time,
dt_max)
if(debug): print 'detail_print: ', detail_print
# initial conditions:
# either half sphere with 90 contact angle
# or spherical cap constrained by contact angle
if(spherical_cap):
ic_choice = spherical_cap_ic_choice
else:
ic_choice = half_sphere_ic_choice
# gather the inputs to be modified in a dictionnary
inputsToBeModified = {
'detail_print' : detail_print,
'dt' : dt_max,
't_max' : simulation_time,
'steady_state_ac' : steady_state_ac,
'dx' : dx_max,
'x_min' : domain_extent[0][0],
'x_max' : domain_extent[1][0],
'dy' : dx_max,
'y_min' : domain_extent[0][1],
'y_max' : domain_extent[1][1],
'ic_choice' : ic_choice,
'flow_velocity' : flow_velocity,
'temperature' : temperature,
'wall_micro_contact_angle' : micro_contact_angle,
'phase_at_center' : phase_at_center,
'gravity_ac' : gravity_ac,
'gravity_amp' : gravity_amp}
return inputsToBeModified
def get_inputsToBeModified(temperature,
flow_velocity,
dct_distance,
md_threshold_ac,
md_threshold,
ic_perturbation_ac,
ic_perturbation_amp,
li_perturbation_ac,
li_perturbation_amp,
bc_perturbation_T0_ac,
bc_perturbation_T0_amp,
bc_perturbation_vx0_ac,
bc_perturbation_vx0_amp,
bc_perturbation_vy0_ac,
bc_perturbation_vy0_amp,
nb_pts_in_interface,
ratio_bubble_interface,
CFL_constant,
ratio_interface_influence,
total_nb_files):
'''
@description:
compute the inputs that are modified in the template.txt
template input file to run the DIM2D simulation on a small
and on a large domains
'''
# extract length_c, dim2d_a, dim2d_b, dim2d_M, dim2d_cv, dim2d_R
# and dim2d_K from the dim2d_parameters.f fortran file
dim2dParamPath = os.path.join(os.getenv('augeanstables'),
'src',
'physical_models',
'dim2d',
'dim2d_parameters.f')
if(os.path.isfile(dim2dParamPath)):
length_c = float(get_parameter('length_c', dim2dParamPath))
dim2d_a = float(get_parameter( 'dim2d_a', dim2dParamPath))
dim2d_b = float(get_parameter( 'dim2d_b', dim2dParamPath))
dim2d_M = float(get_parameter( 'dim2d_M', dim2dParamPath))
dim2d_cv = float(get_parameter('dim2d_cv', dim2dParamPath))
dim2d_R = float(get_parameter( 'dim2d_R', dim2dParamPath))
dim2d_K = float(get_parameter( 'dim2d_K', dim2dParamPath))
else:
sys.exit('*** '+dim2dParamPath+' does not exist***')
# compute the Weber number
we = get_we(length_c, dim2d_a, dim2d_b, dim2d_M, dim2d_K)
#print "we: "+str(we)
# compute the interface length from the temperature
interface_lgh = get_interface_length(we,temperature)
#print "interface_lgh: "+str(interface_lgh)
# compute the bubble diameter from the interface length
bubble_diameter = get_bubble_diameter(interface_lgh,
ratio_bubble_interface)
# compute the domain length from the bubble diameter
domain_length = get_domain_length(bubble_diameter,
interface_lgh,
ratio_interface_influence)
# compute the maximum space step from the interface length
dx_max = get_interface_space_step(interface_lgh,
nb_pts_in_interface)
# compute the extent of the small domain as a matrix:
# x_min : small_domain_extent[0][0]
# x_max : small_domain_extent[1][0]
# y_min : small_domain_extent[0][1]
# y_max : small_domain_extent[1][1]
small_domain_extent = get_small_domain_extent(domain_length,
dx_max)
# compute the reduced heat capacity
cv_r = get_cv_r(dim2d_M,dim2d_cv,dim2d_R)
# compute the maximum speed of sound in the flow
speed_of_sound = get_max_speed_of_sound(temperature,cv_r)
# compute the maximum time step ensuring numerical stability
speed_max = speed_of_sound + abs(flow_velocity)
dt_max = get_dt_max(dx_max,speed_max,CFL_constant)
# determine the simulation time needed to let the bubble
# leave the computational domain
simulation_time = get_simulation_time(domain_length,
bubble_diameter,
interface_lgh,
ratio_interface_influence,
flow_velocity)
# determine the detail print
detail_print = get_detail_print(total_nb_files,
simulation_time,
dt_max)
# determine the large domain extent
large_domain_extent = get_large_domain_extent(small_domain_extent,
dx_max,dx_max,
flow_velocity,
speed_of_sound,
simulation_time)
# gather the inputs to be modified in dictionnaries
inputsToBeModified_sm_domain = {
'detail_print' : detail_print,
'dt' : dt_max,
't_max' : simulation_time,
'dx' : dx_max,
'x_min' : small_domain_extent[0][0],
'x_max' : small_domain_extent[1][0],
'dy' : dx_max,
'y_min' : small_domain_extent[0][1],
'y_max' : small_domain_extent[1][1],
'flow_velocity' : flow_velocity,
'temperature' : temperature,
'openbc_detector_distance' : dct_distance,
'openbc_md_threshold_ac' : md_threshold_ac,
'openbc_md_threshold' : md_threshold,
'ic_perturbation_ac' : ic_perturbation_ac,
'ic_perturbation_amp' : ic_perturbation_amp,
'li_perturbation_ac' : li_perturbation_ac,
'li_perturbation_amp' : li_perturbation_amp,
'openbc_perturbation_T0_ac' : bc_perturbation_T0_ac,
'openbc_perturbation_T0_amp' : bc_perturbation_T0_amp,
'openbc_perturbation_vx0_ac' : bc_perturbation_vx0_ac,
'openbc_perturbation_vx0_amp' : bc_perturbation_vx0_amp,
'openbc_perturbation_vy0_ac' : bc_perturbation_vy0_ac,
'openbc_perturbation_vy0_amp' : bc_perturbation_vy0_amp}
inputsToBeModified_lg_domain = {
'detail_print' : detail_print,
'dt' : dt_max,
't_max' : simulation_time,
'dx' : dx_max,
'x_min' : large_domain_extent[0][0],
'x_max' : large_domain_extent[1][0],
'dy' : dx_max,
'y_min' : large_domain_extent[0][1],
'y_max' : large_domain_extent[1][1],
'flow_velocity' : flow_velocity,
'temperature' : temperature,
'openbc_md_threshold_ac' : 0,
'openbc_md_threshold' : 0.0,
'ic_perturbation_ac' : 0,
'ic_perturbation_amp' : 0.0,
'li_perturbation_ac' : li_perturbation_ac,
'li_perturbation_amp' : li_perturbation_amp,
'openbc_perturbation_T0_ac' : 0,
'openbc_perturbation_T0_amp' : 0.0,
'openbc_perturbation_vx0_ac' : 0,
'openbc_perturbation_vx0_amp' : 0.0,
'openbc_perturbation_vy0_ac' : 0,
'openbc_perturbation_vy0_amp' : 0.0}
return [inputsToBeModified_sm_domain,
inputsToBeModified_lg_domain]