# CUBA-KeywordsΒΆ

Common Unified Basic Attributes (CUBA) are a list of common keywords transcending across different scales, methods and modelling-engines. They provide a standard nomenclature for attributes (variables and parameters) in SimPhoNy.

More detailed information for each CUBA-keyword is provided in the following table.

Name | Description | Domain | Key | Number | Shape | Type |
---|---|---|---|---|---|---|

Id | Universal unique id represented as a hex string size 32 | [‘ATM’, ‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’, ‘VIS’] | ID | 0 | [32] | string |

Name | Naming of high-level objects (e.g. solver models) | [‘ATM’, ‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’, ‘VIS’] | NAME | 1 | [20] | string |

Position | Position of a point or node or atom | [‘ATM’, ‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’, ‘VIS’] | POSITION | 2 | [3] | double |

Direction | Geometric (more general than, e.g., velocity) could be used for spin | [‘ATM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘VIS’] | DIRECTION | 3 | [3] | double |

Status | Status of a point or node | [‘DEM’, ‘LBM’] | STATUS | 4 | [1] | integer |

Label | Label for a point or node | [‘ATM’, ‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘VIS’] | LABEL | 5 | [1] | integer |

MaterialId | Material identification number | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | MATERIAL_ID | 6 | [1] | integer |

ChemicalSpecie | Chemical Specie | [‘ATM’, ‘VIS’] | CHEMICAL_SPECIE | 7 | [20] | string |

MaterialType | Material dimension and type | [‘VIS’] | MATERIAL_TYPE | 8 | [1] | integer |

ShapeCenter | Geometrical center of the shape of the material | [‘VIS’] | SHAPE_CENTER | 9 | [3] | double |

ShapeLengthUC | Length in units cells of the shape of the material | [‘VIS’] | SHAPE_LENGTH_UC | 10 | [3] | double |

ShapeLength | Length in angstroms of the shape of the materials | [‘VIS’] | SHAPE_LENGTH | 11 | [3] | double |

ShapeRadius | Radius for a spherical material | [‘VIS’] | SHAPE_RADIUS | 12 | [3] | double |

ShapeSide | Side length for a hexagonal material | [‘VIS’] | SHAPE_SIDE | 13 | [3] | double |

CrystalStorage | Additional information for visualization | [‘VIS’] | CRYSTAL_STORAGE | 14 | [20] | string |

NameUC | Name of the unit cell of the component | [‘ATM’, ‘VIS’] | NAME_UC | 15 | [20] | string |

LatticeVectors | Lattice vectors of unit cell of the component | [‘ATM’, ‘VIS’] | LATTICE_VECTORS | 16 | [3, 3] | double |

SymmetryLatticeVectors | Symmetry Group | [‘ATM’, ‘VIS’] | SYMMETRY_LATTICE_VECTORS | 17 | [1] | integer |

Occupancy | Occupancy of an atomic position | [‘ATM’, ‘VIS’] | OCCUPANCY | 18 | [1] | double |

BondLabel | Unique ID of atoms | [‘ATM’, ‘VIS’] | BOND_LABEL | 19 | [20] | string |

BondType | Type of label | [‘ATM’, ‘VIS’] | BOND_TYPE | 20 | [1] | integer |

Velocity | Velocity of a point or node | [‘ATM’, ‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | VELOCITY | 21 | [3] | double |

Acceleration | Acceleration of a point or node | [‘ATM’, ‘DEM’, ‘LBM’, ‘SPH’] | ACCELERATION | 22 | [3] | double |

NumberOfPoints | Number of points or nodes | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | NUMBER_OF_POINTS | 23 | [1] | integer |

Radius | Particle radius | [‘DEM’, ‘SPH’] | RADIUS | 24 | [1] | double |

Size | For non-spherical particles | [‘DEM’, ‘SPH’] | SIZE | 25 | [1] | double |

Mass | Particle mass | [‘ATM’, ‘DEM’] | MASS | 26 | [1] | double |

Volume | Volume of a particle, cell, etc. | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’, ‘VIS’] | VOLUME | 27 | [1] | double |

AngularVelocity | Angular velocity of a point or node | [‘DEM’] | ANGULAR_VELOCITY | 28 | [3] | double |

AngularAcceleration | Angular acceleration of a point or node | [‘DEM’] | ANGULAR_ACCELERATION | 29 | [3] | double |

SimulationDomainDimensions | Size of the simulation domain | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | SIMULATION_DOMAIN_DIMENSIONS | 30 | [3] | double |

SimulationDomainOrigin | Offset for the simulation domain | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | SIMULATION_DOMAIN_ORIGIN | 31 | [3] | double |

DynamicViscosity | Dynamic viscosity of fluid | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | DYNAMIC_VISCOSITY | 32 | [1] | double |

KinematicViscosity | Kinematic viscosity of fluid | [‘FEM’, ‘FVM’, ‘LBM’] | KINEMATIC_VISCOSITY | 33 | [1] | double |

DiffusionCoefficient | Diffusion coefficient | [‘FEM’, ‘FVM’, ‘LBM’] | DIFFUSION_COEFFICIENT | 34 | [1] | double |

ProbabilityCoefficient | For stochastic processes (e.g. sorption) | [‘DEM’, ‘LBM’] | PROBABILITY_COEFFICIENT | 35 | [1] | double |

FrictionCoefficient | Control particle friction | [‘DEM’, ‘LBM’] | FRICTION_COEFFICIENT | 36 | [1] | double |

ScalingCoefficient | Coarsening or time-scale bridging | [‘DEM’, ‘LBM’] | SCALING_COEFFICIENT | 37 | [1] | double |

EquationOfStateCoefficient | Equation of state for multiphase fluids | [‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | EQUATION_OF_STATE_COEFFICIENT | 38 | [1] | double |

ContanctAngle | Wettability in multiphase flows | [‘LBM’] | CONTANCT_ANGLE | 39 | [1] | double |

Amphiphilicity | Hydrophilic/-phile behaviour of a particle | [‘DEM’] | AMPHIPHILICITY | 40 | [1] | double |

PhaseInteractionStrength | Strength of phase interactions on a particle | [‘DEM’] | PHASE_INTERACTION_STRENGTH | 41 | [1] | double |

HamakerConstant | Van der Waals body-body interaction | [‘DEM’] | HAMAKER_CONSTANT | 42 | [1] | double |

ZetaPotential | Coulomb interaction between particles | [‘DEM’] | ZETA_POTENTIAL | 43 | [1] | double |

IonValenceEffect | Coulomb interaction between particles | [‘DEM’] | ION_VALENCE_EFFECT | 44 | [1] | double |

DebyeLength | Electrostatic effects of particles in solution | [‘DEM’] | DEBYE_LENGTH | 45 | [1] | double |

SmoothingLength | Half of kernel cut-off for all splines | [‘SPH’] | SMOOTHING_LENGTH | 46 | [1] | double |

LatticeSpacing | Distance between adjacent lattice nodes | [‘LBM’] | LATTICE_SPACING | 47 | [1] | double |

TimeStep | Length of a discrete time step | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’] | TIME_STEP | 48 | [1] | double |

NumberOfTimeSteps | Number of discrete time steps | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’] | NUMBER_OF_TIME_STEPS | 49 | [1] | double |

Force | Force | [‘DEM’, ‘LBM’, ‘SPH’] | FORCE | 50 | [3] | double |

Torque | Torque | [‘DEM’] | TORQUE | 51 | [3] | double |

Density | Density | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | DENSITY | 52 | [1] | double |

Concentration | Concentration of a substance | [‘ATM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘VIS’] | CONCENTRATION | 53 | [1] | double |

Pressure | Pressure | [‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | PRESSURE | 54 | [1] | double |

Temperature | Temperature | [‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’] | TEMPERATURE | 55 | [1] | double |

Distribution | Single-particle distribution function | [‘ATM’, ‘LBM’, ‘VIS’] | DISTRIBUTION | 56 | [1] | double |

OrderParameter | Phase field in multiphase flows | [‘LBM’] | ORDER_PARAMETER | 57 | [1] | double |

OriginalPosition | Position at the beginning of the calculation | [‘DEM’] | ORIGINAL_POSITION | 58 | [3] | double |

DeltaDisplacement | Displacement during the last time step | [‘DEM’] | DELTA_DISPLACEMENT | 59 | [3] | double |

ExternalAppliedForce | Externally applied force (force fields, interactions, etc) | [‘DEM’] | EXTERNAL_APPLIED_FORCE | 60 | [3] | double |

EulerAngles | Euler Angles | [‘DEM’] | EULER_ANGLES | 61 | [3] | double |

Sphericity | Sphericity of the particle | [‘DEM’] | SPHERICITY | 62 | [1] | double |

YoungModulus | Young Modulus | [‘DEM’] | YOUNG_MODULUS | 63 | [1] | double |

PoissonRatio | Poisson Ratio | [‘DEM’] | POISSON_RATIO | 64 | [1] | double |

LnOfRestitutionCoefficient | Natural Logarithm of the Restitution Coefficient | [‘DEM’] | LN_OF_RESTITUTION_COEFFICIENT | 65 | [1] | double |

RollingFriction | Rolling Friction coefficient | [‘DEM’] | ROLLING_FRICTION | 66 | [1] | double |

VolumeFraction | Volume fraction | [‘FEM’, ‘FVM’] | VOLUME_FRACTION | 67 | [1] | double |

Material | Material | [‘ATM’, ‘DEM’, ‘FEM’, ‘FVM’, ‘LBM’, ‘SPH’, ‘VIS’] | MATERIAL | 68 | [1] | uuid |

CutoffDistance | Distance where force is no longer taken into account. | [] | CUTOFF_DISTANCE | 69 | [1] | double |

EnergyWellDepth | Measurement of how strongly the two particles attract each other. | [] | ENERGY_WELL_DEPTH | 70 | [1] | double |

VanDerWaalsRadius | Distance at which the intermolecular potential between the two particles is zero. | [] | VAN_DER_WAALS_RADIUS | 71 | [1] | double |

DielectricConstant | Ratio of the permittivity of a substance to the permittivity of free space or vacuum | [] | DIELECTRIC_CONSTANT | 72 | [1] | double |