MultiphysController { timestepMax = 20 num_iter_Ion_List = 2 analysis_interval = 50 tolerance = 1.0e-9 visualization_interval = 100 // Frequency to write visualization data analysis_interval = 50 // Frequency to perform analysis } Stokes { tau = 1.0 F = 0, 0, 0 ElectricField = 0, 0, 0 //body electric field; user-input unit: [V/m] nu_phys = 0.889e-6 //fluid kinematic viscosity; user-input unit: [m^2/sec] } Ions { use_membrane = true Restart = false IonConcentrationFile = "cell_concentration_Na_40x40x40.raw", "double", "cell_concentration_Cl_40x40x40.raw", "double" temperature = 293.15 //unit [K] number_ion_species = 2 //number of ions tauList = 1.0, 1.0 IonDiffusivityList = 1.0e-9, 1.0e-9 //user-input unit: [m^2/sec] IonValenceList = 1, -1 //valence charge of ions; dimensionless; positive/negative integer IonConcentrationList = 1.0e-6, 1.0e-6 //user-input unit: [mol/m^3] BC_Solid = 0 //solid boundary condition; 0=non-flux BC; 1=surface ion concentration //SolidLabels = 0 //solid labels for assigning solid boundary condition; ONLY for BC_Solid=1 //SolidValues = 1.0e-5 // user-input surface ion concentration unit: [mol/m^2]; ONLY for BC_Solid=1 FluidVelDummy = 0.0, 0.0, 0.0 // dummy fluid velocity for debugging } Poisson { lattice_scheme = "D3Q19" Restart = false epsilonR = 78.5 //fluid dielectric constant [dimensionless] BC_Inlet = 0 // ->1: fixed electric potential; ->2: sine/cosine periodic electric potential BC_Outlet = 0 // ->1: fixed electric potential; ->2: sine/cosine periodic electric potential //-------------------------------------------------------------------------- //-------------------------------------------------------------------------- BC_Solid = 2 //solid boundary condition; 1=surface potential; 2=surface charge density SolidLabels = 0 //solid labels for assigning solid boundary condition SolidValues = 0 //if surface potential, unit=[V]; if surface charge density, unit=[C/m^2] WriteLog = true //write convergence log for LB-Poisson solver // ------------------------------- Testing Utilities ---------------------------------------- // ONLY for code debugging; the followings test sine/cosine voltage BCs; disabled by default TestPeriodic = false TestPeriodicTime = 1.0 //unit:[sec] TestPeriodicTimeConv = 0.01 //unit:[sec] TestPeriodicSaveInterval = 0.2 //unit:[sec] //------------------------------ advanced setting ------------------------------------ timestepMax = 100000 //max timestep for obtaining steady-state electrical potential analysis_interval = 200 //timestep checking steady-state convergence tolerance = 1.0e-6 //stopping criterion for steady-state solution InitialValueLabels = 1, 2 InitialValues = 0.0, 0.0 } Domain { Filename = "cell_40x40x40.raw" nproc = 1, 1, 1 // Number of processors (Npx,Npy,Npz) n = 40, 40, 40 // Size of local domain (Nx,Ny,Nz) N = 40, 40, 40 // size of the input image voxel_length = 1.0 //resolution; user-input unit: [um] BC = 0 // Boundary condition type ReadType = "8bit" ReadValues = 0, 1, 2 WriteValues = 0, 1, 2 } Analysis { analysis_interval = 100 subphase_analysis_interval = 50 // Frequency to perform analysis restart_interval = 5000 // Frequency to write restart data restart_file = "Restart" // Filename to use for restart file (will append rank) N_threads = 4 // Number of threads to use load_balance = "independent" // Load balance method to use: "none", "default", "independent" } Visualization { save_electric_potential = true save_concentration = true save_velocity = true } Membrane { MembraneLabels = 2 VoltageThreshold = 0.0, 0.0 MassFractionIn = 0e-2, 5e-2 MassFractionOut = 0e-2, 5e-2 ThresholdMassFractionIn = 0e-2, 5e-2 ThresholdMassFractionOut = 0e-2, 5e-2 }