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I recently found this application and found it particularly interesting, because my master's thesis was to couple MOOSE with MCNP and TRIM(in a more robust and simple way), and calculate the damage(dpa) caused in a multi-phase grain geometry. Therefore, I was exciting to see if I can reproduce my work done in the past with this new app.
So I started working with simple test cases, first with just a PKAGun shooting ions to a homogenous material, which worked perfectly fine and agrees with the normal TRIM results. However, when I was trying to create an isotropic ion source(with PKAConstant or PKAFunction) in just a local region with specific block ID, the calculation gives results that indicate PKAs were still being distributed across the entire mesh.
Is it due the application itself, or am I writing the input file wrong? I have attached my input file below, it would be great if I can get any help.
Also, I'm not sure how MyTRIM handles the BCMC, but it might be nice if the application can also gather information on particles' end location (instead of just PKAs or Energy Deposition), such that the user can study some features such as Helium accumulation on certain geometries.
Dear all,
Thank you,
Zeyu Chen
[Mesh]
[./generator]
type = GeneratedMeshGenerator
dim = 3
nx = 50
ny = 1
nz = 1
xmin = -50
xmax = 50
ymin = -1
ymax = 1
zmin = -1
zmax = 1
elem_type = HEX8
[]
[block1]
type = SubdomainBoundingBoxGenerator
input = generator
bottom_left = '-50 -1 -1'
top_right = '-1 1 1'
block_id = 0
[]
[block2]
type = SubdomainBoundingBoxGenerator
input = block1
bottom_left = '-1 -1 -1'
top_right = '1 1 1'
block_id = 1
[]
[block3]
type = SubdomainBoundingBoxGenerator
input = block2
bottom_left = '1 -1 -1'
top_right = '50 1 1'
block_id = 2
[]
[]
[Mesh]
type = MyTRIMMesh
dim = 3
nx = 50
ny = 1
nz = 1
xmin = -50
xmax = 50
ymin = -1
ymax = 1
zmin = -1
zmax = 1
block = 1
[]
[Problem]
kernel_coverage_check = false
[]
[Variables]
[./dummys]
[../]
[]
[AuxVariables]
[./Be]
order = CONSTANT
family = MONOMIAL
initial_condition = 1
[../]
[./vac]
order = CONSTANT
family = MONOMIAL
[../]
[]
[AuxKernels]
[./vac]
variable = vac
type = MyTRIMElementResultAux
runner = runner
ivar = 0
defect = VAC
[../]
[]
[BCs]
[./Periodic]
[./all]
auto_direction = 'x y z'
[../]
[../]
[]
[UserObjects]
[./constant]
type = PKAConstant
E = 2.73e6
Z = 1
m = 3
pka_rate = 1
block = 1
use_displaced_mesh = true
# force_preic =true
# seed = 1
[../]
[./constant]
type = PKAGun
E = 2.73e6
Z = 1
m = 3
num_pkas = 10000
point = '-50 0 0'
direction = '-1 0 0'
[../]
[./rasterizer]
type = MyTRIMRasterizer
var = 'Be'
M = '9'
Z = '4'
# Edisp = '16.3'
length_unit = MICROMETER
periodic_var = dummys
site_volume = 0.00797
pka_generator = constant
[../]
[./runner]
type = MyTRIMElementRun
rasterizer = rasterizer
[../]
[]
[Postprocessors]
[./total_vacancies]
type = ElementIntegralVariablePostprocessor
variable = vac
[../]
[]
[Executioner]
type = Transient
num_steps = 2
nl_abs_tol = 1e-10
[]
[Outputs]
exodus = true
[]
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