- The added line is THIS COLOR.
- The deleted line is THIS COLOR.
* UDF [#sb525d43]
- UDF is a text file. One can browse and edit it using a text editor, but it.can be more easily handled with "Gourmet". See the manuals below for general information on UDF.
-- English: &ref(udf_spec_eng.pdf);
-- Japanese: &ref(UDF_Spec_jpn.pdf);
- In the case of UDF used for KAPSEL, one must first choose the type of problem you want to simulate by selecting "constitutive_eq" from list below.
-- Navier_Stokes: (sedimentation, diffusion, coagulation)
-- Shear_Navier_Stokes: (rheology, chain in shear flow)
-- Electrolyte: (electrophoresis)
** used for KAPSEL (input.udf) [#y1d5b4c6]
** List of variables in UDF for KAPSEL (input.udf) [#y1d5b4c6]
''constitutive_eq'': type: {Navier_Stokes, Shear_Navier_Stokes, Electrolyte}
Navier_Stokes
- DX:
- RHO:
- ETA:
- kBT:
- alpha_v:
- alpha_o:
- DX: &color(blue){Girid width (this is the unit of length)};
- RHO: &color(blue){Density of fluid};
- ETA: &color(blue){Viscosity of fluid};
- kBT: &color(blue){Temperature of dispersion};
- alpha_v: &color(blue){Scaling factor for fluctuating force (translation)};
- alpha_o: &color(blue){Scaling factor for fluctuating torque (rotation)};
Shear_Navier_Stokes
- DX:
- RHO:
- ETA:
- kBT:
- alpha_v:
- alpha_o:
- External_field: type: {DC, AC}:
- DX: &color(blue){Girid width (this is the unit of length)};
- RHO: &color(blue){Density of fluid};
- ETA: &color(blue){Viscosity of fluid};
- kBT: &color(blue){Temperature of dispersion};
- alpha_v: &color(blue){Scaling factor for fluctuating force (translation)};
- alpha_o: &color(blue){Scaling factor for fluctuating torque (rotation)};
- External_field: type: {DC, AC}: &color(blue){Steady shear (DC) or Oscillatory shear (AC)};
: DC|
-- shear_rate:
-- shear_rate: &color(blue){Shear rate (DC)};
: AC|
-- shear_rate:
-- shear_rate: &color(blue){Max shear rate (AC)};
Electrolyte
- DX:
- RHO:
- ETA:
- kBT:
- Dielectric_cst:
- INIT_profile:
- Add_salt: type: {salt, saltfree}:
- DX: &color(blue){Girid width (this is the unit of length)};
- RHO: &color(blue){Density of fluid};
- ETA: &color(blue){Viscosity of fluid};
- kBT: &color(blue){Temperature of dispersion};
- Dielectric_cst: &color(blue){Dielectric constant of fluid};
- INIT_profile: &color(blue){''Uniform:'' use uniform ionic densities as an initial state. ''Poisson_Boltzmann:'' use optimal ionic densities as an initial state by solving Poisson-Boltzman Eq. for a given initial particle configuration in advance to start simulation.};
- Add_salt: type: &color(blue){''salt:'' salt is added, ''saltfree:'' no salt is added};
: salt|
-- Valency_positive_ion:
-- Valency_negative_ion:
-- Onsager_coeff_positive_ion:
-- Onsager_coeff_negative_ion:
-- Debye_length:
-- Valency_positive_ion: &color(blue){Valency of positive ions};
-- Valency_negative_ion: &color(blue){Valency of negative ions};
-- Onsager_coeff_positive_ion: &color(blue){Onsager transport coefficient of positive ions};
-- Onsager_coeff_negative_ion: &color(blue){Onsager transport coefficient of negative ions};
-- Debye_length: &color(blue){Debye screening length This causes the corresponding salt concentration to be specified automatically.};
: saltfree|
-- Valency_counterion:
-- Onsager_coeff_counterion:
- Electric_field: type: {ON, OFF}:
-- ON: type: {DC, AC}:
-- Valency_counterion: &color(blue){Valency of counter ions};
-- Onsager_coeff_counterion: &color(blue){{Onsager transport coefficient of counter ions};
- Electric_field: type: &color(blue){''ON:'' apply external electric field, ''OFF:'' no external electric field};
-- ON: type: &color(blue){''DC:'' apply steady electric field, ''AC:'' apply oscillatory electric field};
:: DC|
--- Ex
--- Ey
--- Ez
--- Ex: &color(blue){Intensity of the x-direction electric field};
--- Ey: &color(blue){Intensity of the y-direction electric field};
--- Ez: &color(blue){Intensity of the z-direction electric field};
:: AC|
--- Ex
--- Ey
--- Ez
--- Frequency
--- Ex: &color(blue){Max intensity of the x-direction electric field};
--- Ey: &color(blue){Max intensity of the y-direction electric field};
--- Ez: &color(blue){Max intensity of the z-direction electric field};
--- Frequency: &color(blue){Frequency of an oscillatory electric field.};
''object_type'': type: {spherical_particle, chain}
spherical_particle
- Particle_spec[]
-- Particle_spec[0]
--- Particle_number
--- MASS_RATIO
--- Surface_charge
-- Particle_spec[0]: &color(blue){(0 means the 1st component)};
--- Particle_number: &color(blue){Number of particles};
--- MASS_RATIO: &color(blue){Density of particle / density of fluid};
--- Surface_charge: &color(blue){Valency of particles (total charge carried by a single particle in unit of electron charge)};
chain
- Chain_spec[]
-- Chain_spec[0]
--- Beads_number
--- Chain_number
--- MASS_RATIO
--- Surface_charge
-- Chain_spec[0] &color(blue){(0 meand the 1st component)};
--- Beads_number: &color(blue){Number of beads in a single chain};
--- Chain_number: &color(blue){Number of chains in a simulation box};
--- MASS_RATIO: &color(blue){Density of beads / density of fluid};
--- Surface_charge: &color(blue){Valency of beads (total charge carried by a single bead in unit of electron charge)};
''A_XI'':
''A_XI'': &color(blue){Thickness of the particle-fluid boundary};
''A'':
''A'': &color(blue){Radius pd particles or beads};
''gravity'':
- G:
- G_direction: {-X, -Y, -Z}
''gravity''
- G: &color(blue){Gravitational acceleration};
- G_direction: &color(blue){''-X'' , ''-Y'' , ''-Z:'' the direction in which gravity is applied};
''EPSILON'':
''EPSILON'': &color(blue){};
''LJ_powers'': {12:6, 24:12, 36:18}
''LJ_powers'': {12:6, 24:12, 36:18}: &color(blue){};
''mesh''
- NPX:
- NPY:
- NPZ:
- NPX: &color(blue){};
- NPY: &color(blue){};
- NPZ: &color(blue){};
''time_increment'': type: {auto, manual}
''time_increment'': type: {auto, manual}: &color(blue){};
auto
- factor
- factor: &color(blue){};
manual
- delta_t
- delta_t: &color(blue){};
''switch''
- ROTATION: {ON, OFF}
- ROTATION: {ON, OFF}: &color(blue){};
- HYDRO_int: {Correct, free draining, squeeze-lubrication and drain}
- Stokes: {with advection, w/o advection}
- LJ_truncate: {ON, OFF, NONE}
- INIT_distribution: type: {uniform_random, random_walk, FCC, BCC, user_specify}
: random_walk|
-- iteration
: user_specify|
-- Particles[]
--- Particles[0]
- R
- x:
- y:
- z:
- v
- x:
- y:
- z:
: FIX_CELL|
-- x: {ON, OFF}
-- y: {ON, OFF}
-- z: {ON, OFF}
''boundary_condition'': type: {z_dirichlet, full_periodic}
z_dirichlet
- wall_velocity_x:
- wall_velocity_y:
- wall_velocity_z:
''output''
- GTS:
- Num_snap:
- AVS: {ON, OFF}
: ON|
-- Out_dir:
-- Out_name:
-- File_Type: {BINARY, ASCII}
- UDF: {ON, OFF}
''E'':
''t'':
''Particles[]''
- Particles[]
- R
- x:
- y:
- z:
- v
- x:
- y:
- z:
''resume''
- Calculation: {NEW, CONTINUE}
----