2.3.3.3.161. NXmicrostructure_score_results

Status:

application definition, extends NXobject

Description:

Application definition for storing results of the SCORE cellular automaton. ...

Application definition for storing results of the SCORE cellular automaton.

The SCORE cellular automaton model for primary recrystallization is an example of typical materials engineering applications used within the field of so-called Integral Computational Materials Engineering (ICME) whereby one can simulate the evolution of microstructures.

Specifically the SCORE model can be used to simulate the growth of static recrystallization nuclei. The model is described in the literature:

Symbols:

The symbols used in the schema to specify e.g. dimensions of arrays.

n_summary_stats: The total number of summary statistic log entries.

n_b: Number of boundaries of the bounding box or primitive to domain.

n_p: Number of parameter required for chosen orientation parameterization.

n_tex: Number of texture components identified.

d: Dimensionality.

c: Cardinality.

n_front: Number of active cells in the (recrystallization) front.

n_grains: Number of grains in the computer simulation.

Groups cited:

NXcg_grid, NXcg_polyhedron_set, NXcoordinate_system_set, NXcoordinate_system, NXentry, NXmicrostructure, NXobject, NXprocess, NXprogram, NXuser

Structure:

ENTRY: (required) NXentry

definition: (required) NX_CHAR ⤆

Obligatory value: NXmicrostructure_score_results

simulation_identifier: (required) NX_UINT

Simulation ID as an alias to refer to this simulation.

description: (required) NX_CHAR

Discouraged free-text field to add further details to the computation.

start_time: (required) NX_DATE_TIME ⤆

end_time: (recommended) NX_DATE_TIME ⤆

USER: (optional) NXuser ⤆

program1: (required) NXprogram

program_name: (required) NX_CHAR

@version: (required) NX_CHAR

@url: (recommended) NX_CHAR

environment: (optional) NXobject

Programs and libraries representing the computational environment

programID: (required) NXprogram

program: (required) NX_CHAR ⤆

@version: (required) NX_CHAR ⤆

coordinate_system_set: (required) NXcoordinate_system_set

rotation_handedness: (required) NX_CHAR ⤆

rotation_convention: (required) NX_CHAR ⤆

euler_angle_convention: (required) NX_CHAR ⤆

axis_angle_convention: (required) NX_CHAR ⤆

sign_convention: (required) NX_CHAR ⤆

sample_reference_frame: (required) NXcoordinate_system ⤆

type: (required) NX_CHAR ⤆

Obligatory value: cartesian

handedness: (required) NX_CHAR ⤆

Obligatory value: right_handed

origin: (required) NX_CHAR ⤆

Obligatory value: front_bottom_left

x_alias: (required) NX_CHAR ⤆

Obligatory value: rolling_direction

x_direction: (required) NX_CHAR ⤆

Obligatory value: east

y_alias: (required) NX_CHAR ⤆

Obligatory value: transverse_direction

y_direction: (required) NX_CHAR ⤆

Obligatory value: in

z_alias: (required) NX_CHAR ⤆

Obligatory value: normal direction

z_direction: (required) NX_CHAR ⤆

Obligatory value: north

discretization: (required) NXmicrostructure

grid: (required) NXcg_grid ⤆

dimensionality: (required) NX_POSINT ⤆

cardinality: (required) NX_POSINT ⤆

origin: (required) NX_NUMBER ⤆

symmetry: (required) NX_CHAR ⤆

cell_dimensions: (required) NX_NUMBER ⤆

extent: (required) NX_UINT ⤆

identifier_offset: (required) NX_INT ⤆

boundary: (required) NXcg_polyhedron_set ⤆

A tight bounding box or sphere or bounding primitive about the grid.

number_of_boundaries: (required) NX_POSINT {units=NX_UNITLESS}

How many distinct boundaries are distinguished? ...

How many distinct boundaries are distinguished? Most grids discretize a cubic or cuboidal region. In this case six sides can be distinguished, each making an own boundary.

boundary_conditions: (required) NX_INT (Rank: 1, Dimensions: [6]) {units=NX_UNITLESS}

The boundary conditions for each boundary: ...

The boundary conditions for each boundary:

0 - undefined 1 - open 2 - periodic 3 - mirror 4 - von Neumann 5 - Dirichlet

boundaries: (required) NX_CHAR (Rank: 1, Dimensions: [6])

Name of the boundaries. Left, right, front, back, bottom, top, ...

Name of the boundaries. Left, right, front, back, bottom, top, The field must have as many entries as there are number_of_boundaries.

spatiotemporalID: (required) NXobject

Documentation of the spatiotemporal evolution

summary_statistics: (required) NXobject

Summary quantities which are the result of some post-processing of the sna ...

Summary quantities which are the result of some post-processing of the snapshot data (averaging, integrating, interpolating) happening in for practical reasons though in while running the simulation. Place used for storing descriptors from continuum mechanics and thermodynamics at the scale of the entire ROI.

kinetics: (optional) NXprocess

Evolution of the recrystallized volume fraction over time.

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

Evolution of the physical time not to be confused with wall-clock time ...

Evolution of the physical time not to be confused with wall-clock time or profiling data.

iteration: (required) NX_INT {units=NX_UNITLESS}

Iteration or increment counter.

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

Evolution of the simulated temperature over time.

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

Recrystallized volume fraction.

stress: (optional) NXprocess

type: (required) NX_CHAR

Which type of stress. ...

Which type of stress.

Obligatory value: cauchy

stress: (required) NX_FLOAT (Rank: 3, Dimensions: [n_summary_stats, 3, 3]) {units=NX_ANY}

Applied external stress tensor on the ROI.

strain: (optional) NXprocess

type: (required) NX_CHAR

Which type of strain.

strain: (required) NX_FLOAT (Rank: 3, Dimensions: [n_summary_stats, 3, 3]) {units=NX_ANY}

Applied external strain tensor on the ROI.

deformation_gradient: (optional) NXprocess

type: (required) NX_CHAR

Which type of deformation gradient. ...

Which type of deformation gradient.

Obligatory value: piola

value: (required) NX_FLOAT (Rank: 3, Dimensions: [n_summary_stats, 3, 3]) {units=NX_ANY}

Applied deformation gradient tensor on the ROI.

magnetic_field: (optional) NXprocess

strength: (required) NX_FLOAT (Rank: 3, Dimensions: [n_summary_stats, 3, 3]) {units=NX_ANY}

Applied external magnetic field on the ROI.

electrical_field: (optional) NXprocess

strength: (required) NX_FLOAT (Rank: 3, Dimensions: [n_summary_stats, 3, 3]) {units=NX_ANY}

Applied external electrical field on the ROI.

microstructureID: (required) NXmicrostructure

time: (required) NX_NUMBER ⤆

iteration: (required) NX_INT ⤆

temperature: (required) NX_FLOAT {units=NX_TEMPERATURE}

Simulated temperature for this snapshot.

x_value: (required) NX_FLOAT {units=NX_DIMENSIONLESS}

Current recrystallized volume fraction (taking fractional infections int ...

Current recrystallized volume fraction (taking fractional infections into account).

x_target: (required) NX_NUMBER {units=NX_DIMENSIONLESS}

Target value for which a snapshot was requested for the recrystallized v ...

Target value for which a snapshot was requested for the recrystallized volume fraction.

grid: (recommended) NXcg_grid ⤆

grain_identifier: (recommended) NX_UINT (Rank: 3, Dimensions: [n_x, n_y, n_z]) {units=NX_UNITLESS}

Grain identifier for each cell.

thread_identifier: (optional) NX_UINT (Rank: 3, Dimensions: [n_x, n_y, n_z]) {units=NX_UNITLESS}

Identifier of the OpenMP thread which processed this part of the grid.

crystal: (required) NXobject ⤆

representation: (recommended) NX_CHAR ⤆

number_of_crystals: (required) NX_UINT ⤆

number_of_phases: (required) NX_UINT ⤆

crystal_identifier_offset: (required) NX_INT ⤆

crystal_identifier: (required) NX_INT (Rank: 1, Dimensions: [n_grains]) ⤆

phase_identifier_offset: (required) NX_INT ⤆

phase_identifier: (required) NX_INT (Rank: 1, Dimensions: [n_grains]) ⤆

volume: (required) NX_NUMBER (Rank: 1, Dimensions: [n_grains]) {units=NX_VOLUME} ⤆

Volume of each grain accounting also for partially transformed cells.

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

Bunge-Euler angle triplets for each grain.

dislocation_density: (recommended) NX_FLOAT (Rank: 1, Dimensions: [n_grains]) {units=NX_ANY}

Current value for the dislocation density as a measure of the remainin ...

Current value for the dislocation density as a measure of the remaining stored energy in assumed crystal defects inside each grain.

is_deformed: (recommended) NX_BOOLEAN (Rank: 1, Dimensions: [n_grains])

Is the grain deformed.

is_recrystallized: (recommended) NX_BOOLEAN (Rank: 1, Dimensions: [n_grains])

Is the grain recrystallized.

recrystallization_front: (recommended) NXobject

Details about those cells which in this time step represent the discrete ...

Details about those cells which in this time step represent the discrete recrystallization front.

halo_region: (optional) NX_UINT (Rank: 1, Dimensions: [n_front]) {units=NX_UNITLESS}

Which cells are currently in a halo region of threads.

mobility_weight: (recommended) NX_FLOAT (Rank: 1, Dimensions: [n_front]) {units=NX_UNITLESS}

So-called mobility weight which is a scaling factor to ...

So-called mobility weight which is a scaling factor to control the mobility of the grain boundary which is assumed to sweep currently this volume.

coordinate: (recommended) NX_NUMBER (Rank: 2, Dimensions: [n_front, 3]) {units=NX_UNITLESS}

The x, y, z grid coordinates of each cell in the recrystallization front.

deformed_grain_identifier: (recommended) NX_UINT (Rank: 1, Dimensions: [n_front]) {units=NX_UNITLESS}

Grain identifier assigned to each cell in the recrystallization front.

recrystallized_grain_identifier: (recommended) NX_UINT (Rank: 1, Dimensions: [n_front]) {units=NX_UNITLESS}

Grain identifier assigned to each nucleus which affected that cell in ...

Grain identifier assigned to each nucleus which affected that cell in the recrystallization front.

thread_identifier: (optional) NX_UINT (Rank: 1, Dimensions: [n_front]) {units=NX_UNITLESS}

Identifier of the OpenMP thread processing each cell in the recrystall ...

Identifier of the OpenMP thread processing each cell in the recrystallization front.

infection_direction: (optional) NX_UINT (Rank: 1, Dimensions: [n_front]) {units=NX_UNITLESS}

Hint about the direction from which the cell was infected.

Hypertext Anchors

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

NXDL Source:

https://github.com/FAIRmat-NFDI/nexus_definitions/tree/fairmat/contributed_definitions/NXmicrostructure_score_results.nxdl.xml