3.3.3.124. NXms_score_config

Status:

application definition (contribution), extends NXobject

Description:

Application definition to control a simulation with the SCORE model.

Symbols:

n_dg_ori: Number of Bunge-Euler angle triplets for deformed grains.

n_rx_ori: Number of Bunge-Euler angle triplets for recrystallization nuclei.

n_su: Number of solitary unit domains to export.

Groups cited:

NXcollection, NXcs_profiling, NXentry, NXprocess, NXprogram

Structure:

ENTRY: (required) NXentry

@version: (required) NX_CHAR

Version specifier of this application definition.

definition: (required) NX_CHAR ⤆

Official NeXus NXDL schema with which this file was written. ...

Official NeXus NXDL schema with which this file was written.

Obligatory value: NXms_score_config

analysis_identifier: (required) NX_CHAR

Ideally, a (globally persistent) unique identifier for referring ...

Ideally, a (globally persistent) unique identifier for referring to this analysis.

analysis_description: (optional) NX_CHAR

Possibility for leaving a free-text description about this analysis.

results_path: (optional) NX_CHAR

Path to the directory where the tool should store NeXus/HDF5 results ...

Path to the directory where the tool should store NeXus/HDF5 results of this analysis. If not specified results will be stored in the current working directory.

time_stamp: (required) NX_DATE_TIME

ISO 8601 formatted time code with local time zone offset to UTC ...

ISO 8601 formatted time code with local time zone offset to UTC information included when this configuration file was created.

PROGRAM: (required) NXprogram

program_name: (required) NX_CHAR

@version: (required) NX_CHAR

initial_microstructure: (required) NXprocess ⤆

Relevant data to instantiate a starting configuration that is typically ...

Relevant data to instantiate a starting configuration that is typically a microstructure in deformed conditions where stored (elastic) energy is stored in the form of crystal defects, which in the SCORE model are is considered as mean-field dislocation content.

type: (required) NX_CHAR

Which model should be used to generate a starting microstructure. ...

Which model should be used to generate a starting microstructure.

Any of these values: cuboidal | poisson_voronoi | ebsd | damask

cell_size: (required) NX_FLOAT {units=NX_LENGTH}

Edge length of the cubic cells of each CA domain.

domain_size: (required) NX_UINT (Rank: 1, Dimensions: [3]) {units=NX_UNITLESS}

Extend of each CA domain in voxel along the x, y, and z direction. ...

Extend of each CA domain in voxel along the x, y, and z direction. Deformation of sheet material is assumed. The x axis is assumed pointing along the rolling direction. The y axis is assumed pointing along the transverse direction. The z axis is assumed pointing along the normal direction.

grain_size: (required) NX_FLOAT (Rank: 1, Dimensions: [3]) {units=NX_LENGTH}

Extent of each deformed grain along the x, y, and z direction when type is ...

Extent of each deformed grain along the x, y, and z direction when type is cuboidal.

grain_diameter: (required) NX_FLOAT {units=NX_LENGTH}

Average spherical diameter when type is poisson_voronoi.

grain_euler: (required) NX_FLOAT (Rank: 2, Dimensions: [n_dg_ori, 3]) {units=NX_ANGLE}

Set of Bunge-Euler angles to sample orientations randomly from.

ebsd: (optional) NXprocess

The EBSD dataset from which the initial microstructure is instantiated ...

The EBSD dataset from which the initial microstructure is instantiated if initial_microstructure/type has value ebsd.

filename: (required) NX_CHAR

Path and name of the EBSD dataset from which to generate the starting ...

Path and name of the EBSD dataset from which to generate the starting microstructure.

@version: (required) NX_CHAR

SHA256 checksum of the file which contains the EBSD dataset.

stepsize: (required) NX_FLOAT (Rank: 1, Dimensions: [2]) {units=NX_LENGTH}

Size of the EBSD. The EBSD orientation mapping has to be on a ...

Size of the EBSD. The EBSD orientation mapping has to be on a regular grid of square-shaped pixels.

nucleation_model: (required) NXprocess ⤆

Phenomenological model according to which it nuclei are placed ...

Phenomenological model according to which it nuclei are placed into the domain and assumed growing.

spatial_distribution_model: (required) NX_CHAR

According to which model will the nuclei become distributed spatially. ...

According to which model will the nuclei become distributed spatially. CSR means complete spatial randomness. Custom is implementation specific. GB places nuclei at grain boundaries.

Any of these values: csr | custom | gb

incubation_time_model: (required) NX_CHAR

According to which model will the nuclei start to grow. ...

According to which model will the nuclei start to grow.

Obligatory value: site_saturation

orientation_model: (required) NX_CHAR

According to which model will the nuclei get their orientation assigned. ...

According to which model will the nuclei get their orientation assigned.

Obligatory value: sample_from_nucleus_euler

nucleus_euler: (required) NX_FLOAT (Rank: 2, Dimensions: [n_rx_ori, 3]) {units=NX_ANGLE}

Set of Bunge-Euler angles to sample orientations of nuclei randomly from.

material_properties: (required) NXprocess ⤆

(Mechanical) properties of the material which scale the amount ...

(Mechanical) properties of the material which scale the amount of stored (elastic) energy in the ROI/system.

reference_shear_modulus: (required) NX_FLOAT {units=NX_PRESSURE}

Shear modulus at zero Kelvin.

reference_burgers_magnitude: (required) NX_FLOAT {units=NX_LENGTH}

Magnitude at the Burgers vector at zero Kelvin.

melting_temperature: (required) NX_FLOAT {units=NX_TEMPERATURE}

Melting temperature in degrees Celsius.

grain_boundary_mobility_model: (required) NXprocess ⤆

Model for the assumed mobility of grain boundaries with different ...

Model for the assumed mobility of grain boundaries with different disorientation.

model: (required) NX_CHAR

Which type of fundamental model for the grain boundary mobility: ...

Which type of fundamental model for the grain boundary mobility: For the Sebald-Gottstein model the following equation is used. For the Rollett-Holm model the following equation is used.

Any of these values: sebald_gottstein | rollett_holm

sebald_gottstein_parameters: (required) NXcollection

lagb_pre_factor: (required) NX_FLOAT {units=NX_ANY}

lagb_enthalpy: (required) NX_FLOAT {units=NX_ANY}

hagb_pre_factor: (required) NX_FLOAT {units=NX_ANY}

hagb_enthalpy: (required) NX_FLOAT {units=NX_ANY}

special_pre_factor: (required) NX_FLOAT {units=NX_ANY}

special_enthalpy: (required) NX_FLOAT {units=NX_ANY}

rollett_holm_parameters: (required) NXcollection

hagb_pre_factor: (required) NX_FLOAT {units=NX_ANY}

hagb_enthalpy: (required) NX_FLOAT {units=NX_ANY}

lagb_to_hagb_cut: (required) NX_FLOAT {units=NX_ANY}

lagb_to_hagb_transition: (required) NX_FLOAT {units=NX_ANY}

lagb_to_hagb_exponent: (required) NX_FLOAT {units=NX_ANY}

stored_energy_recovery_model: (required) NXprocess ⤆

Simulated evolution of the dislocation density as the stored ...

Simulated evolution of the dislocation density as the stored (elastic) energy assumed stored in each grain.

model: (required) NX_CHAR

Which type of recovery model. ...

Which type of recovery model.

Obligatory value: none

dispersoid_drag_model: (required) NXprocess ⤆

Simulated reduction of the grain boundary speed due to ...

Simulated reduction of the grain boundary speed due to the presence of dispersoids through which the total grain boundary area of the recrystallization front can be reduced.

model: (required) NX_CHAR

Which type of drag model. ...

Which type of drag model.

Any of these values: none | zener_smith

zener_smith_parameter: (required) NXcollection

pre_factor: (required) NX_FLOAT

surface_energy_density: (required) NX_FLOAT

time: (required) NX_FLOAT (Rank: 1, Dimensions: [i]) {units=NX_TIME}

Support point of the linearized curve of simulated time matching ...

Support point of the linearized curve of simulated time matching a specific support point of the average dispersoid radius.

radius: (required) NX_FLOAT (Rank: 1, Dimensions: [i]) {units=NX_LENGTH}

Support point of the linearized curve of the average dispersoid radius.

time_temperature_history: (required) NXprocess ⤆

Simulated time temperature profile

time: (required) NX_FLOAT (Rank: 1, Dimensions: [j]) {units=NX_TIME}

Support point of the linearized curve of simulated time matching ...

Support point of the linearized curve of simulated time matching a specific support point of the temperature.

temperature: (required) NX_FLOAT (Rank: 1, Dimensions: [j]) {units=NX_LENGTH}

Support point of the linearized curve of the temperature.

stop_criteria: (required) NXprocess ⤆

Criteria which enable to stop the simulation in a controlled manner. ...

Criteria which enable to stop the simulation in a controlled manner. Whichever criterion is fulfilled first stops the simulation.

max_x: (required) NX_FLOAT {units=NX_DIMENSIONLESS}

Maximum recrystallized volume fraction.

max_time: (required) NX_NUMBER {units=NX_TIME}

Maximum simulated physical time.

max_iteration: (required) NX_UINT {units=NX_UNITLESS}

Maximum number of iteration steps.

numerics: (required) NXprocess ⤆

Settings relevant for stable numerical integration.

max_delta_x: (required) NX_FLOAT {units=NX_DIMENSIONLESS}

Maximum fraction equivalent to the migration of the ...

Maximum fraction equivalent to the migration of the fastest grain boundary in the system how much a cell may be consumed in a single iteration.

initial_cell_cache: (required) NX_FLOAT {units=NX_UNITLESS}

Fraction of the total number of cells in the CA which ...

Fraction of the total number of cells in the CA which should initially be allocated for offering cells in the recrystallization front.

realloc_cell_cache: (required) NX_FLOAT {units=NX_UNITLESS}

By how much more times should the already allocated memory ...

By how much more times should the already allocated memory be is increased to offer space for storing states of cells in the recrystallization front.

defragment_cell_cache: (required) NX_BOOLEAN

Should the cache for cells in the recrystallization front ...

Should the cache for cells in the recrystallization front be defragmented on-the-fly.

defragment_x: (required) NX_FLOAT (Rank: 1, Dimensions: [i]) {units=NX_DIMENSIONLESS}

Heuristic recrystallized volume target values at which ...

Heuristic recrystallized volume target values at which the cache for cells in the recrystallization front will be defragmented on-the-fly.

snapshot_x: (required) NX_FLOAT (Rank: 1, Dimensions: [j]) {units=NX_DIMENSIONLESS}

List of recrystallized volume target values at which a ...

List of recrystallized volume target values at which a snapshot of the CA state should be exported for.

solitary_unit_model: (required) NXprocess ⤆

apply: (required) NX_BOOLEAN

Perform a statistical analyses of the results as it was ...

Perform a statistical analyses of the results as it was proposed by M. Kühbach (solitary unit model ensemble approach).

number_of_domains: (required) NX_UINT {units=NX_UNITLESS}

How many independent cellular automaton domains ...

How many independent cellular automaton domains should be instantiated.

rediscretization: (required) NX_UINT {units=NX_UNITLESS}

Into how many time steps should the real time interval be discretized upon ...

Into how many time steps should the real time interval be discretized upon during post-processing the results with the solitary unit modeling approach.

domain_identifier: (required) NX_UINT (Rank: 1, Dimensions: [n_su]) {units=NX_UNITLESS}

List of identifier for those domain which should be rendered. ...

List of identifier for those domain which should be rendered. Identifier start from 0.

performance: (required) NXcs_profiling

current_working_directory: (required) NX_CHAR ⤆

Hypertext Anchors

List of hypertext anchors for all groups, fields, attributes, and links defined in this class.

NXDL Source:

https://github.com/nexusformat/definitions/blob/main/contributed_definitions/NXms_score_config.nxdl.xml