* 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) ** List of variables in UDF for KAPSEL (input.udf) [#y1d5b4c6] ''constitutive_eq'': type: {Navier_Stokes, Shear_Navier_Stokes, Electrolyte} Navier_Stokes - 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: &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: &color(blue){Shear rate (DC)}; : AC| -- shear_rate: &color(blue){Max shear rate (AC)}; Electrolyte - 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: &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: &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: &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: &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]: &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] &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'': &color(blue){Thickness of the particle-fluid boundary}; ''A'': &color(blue){Radius pd particles or beads}; ''gravity'' - G: &color(blue){Gravitational acceleration}; - G_direction: &color(blue){''-X'' , ''-Y'' , ''-Z:'' the direction in which gravity is applied}; ''EPSILON'': &color(blue){}; ''LJ_powers'': {12:6, 24:12, 36:18}: &color(blue){}; ''mesh'' - NPX: &color(blue){}; - NPY: &color(blue){}; - NPZ: &color(blue){}; ''time_increment'': type: {auto, manual}: &color(blue){}; auto - factor: &color(blue){}; manual - delta_t: &color(blue){}; ''switch'' - 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}