2.3.3.3.155. NXmicrostructure_gragles_results

Status:

application definition, extends NXobject

Description:

Application definition for documenting results with GraGLeS.

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_grains: Number of grains in the computer simulation.

n_interfaces: Number of interfaces in the computer simulation.

Groups cited:

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

Structure:

ENTRY: (required) NXentry

definition: (required) NX_CHAR ⤆

Obligatory value: NXmicrostructure_gragles_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 ⤆

handedness: (required) NX_CHAR ⤆

origin: (required) NX_CHAR ⤆

x_alias: (required) NX_CHAR ⤆

x_direction: (required) NX_CHAR ⤆

y_alias: (required) NX_CHAR ⤆

y_direction: (required) NX_CHAR ⤆

z_alias: (required) NX_CHAR ⤆

z_direction: (required) NX_CHAR ⤆

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.

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

How many crystals are distinguished. ...

How many crystals are distinguished. Crystals are listed irrespective of the phase to which these are assigned.

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.

grid: (optional) NXcg_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]) ⤆

area: (required) NX_NUMBER (Rank: 1, Dimensions: [n_grains]) ⤆

volume: (required) NX_NUMBER (Rank: 1, Dimensions: [n_grains]) ⤆

interface: (optional) NXobject ⤆

representation: (recommended) NX_CHAR ⤆

number_of_interfaces: (required) NX_UINT ⤆

identifier_offset: (required) NX_INT ⤆

crystal_identifier: (required) NX_INT (Rank: 2, Dimensions: [n_interfaces, 2]) {units=NX_UNITLESS} ⤆

Set of pairs of crystal_identifier for each interface.

@use_these: (required) NX_CHAR ⤆

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

Mobility times surface energy density of the interface normalized ...

Mobility times surface energy density of the interface normalized to the maximum such product of the interface set.

area: (required) NX_NUMBER (Rank: 1, Dimensions: [n_interfaces]) ⤆

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_gragles_results.nxdl.xml