Elastic Strain

Compute crystal-referenced elastic strain by mapping local environments to an ideal lattice.

Requires an upstream structure-identification step: the plugin consumes the cluster tables (clusters_table and clusters_transitions) produced by the referenced structure-analysis plugin, and fails if those inputs are absent.

Parameters

Parameter	Type	Default	Description
`structure_analysis_plugin`	`pluginReference`	—	Required. Upstream structure-identification algorithm that produces the cluster tables. Accepts `polyhedral-template-matching` or `adaptive-common-neighbor-analysis`.
`lattice_constant`	`float`	`3.615`	Lattice constant a₀. Required by the binary.
`crystal_structure`	`string`	`FCC`	Reference crystal structure. Plugin UI options: `FCC`, `BCC`, `HCP`. (The underlying binary CLI additionally accepts `SC`, `CUBIC_DIAMOND`, `HEX_DIAMOND`.)
`ca_ratio`	`float`	`1.0`	c/a ratio for HCP and hexagonal crystals.
`push_forward`	`bool`	`false`	Push strain to the spatial frame (Euler strain).
`calc_deformation_gradient`	`bool`	`true`	Compute deformation gradient `F`.
`calc_strain_tensors`	`bool`	`true`	Compute strain tensors.

Output

`{outputBase}_elastic_strain.parquet`

type StrainTensor = [float, float, float, float, float, float];
type DeformationGradient = [float, float, float, float, float, float, float, float, float];

interface PerAtomProperties {
    id: int;
    volumetric_strain: float;
    strain_tensor?: StrainTensor;
    deformation_gradient?: DeformationGradient;
}

interface ElasticStrainOutput {
    main_listing: {
        average_volumetric_strain: float;
    };
    "per-atom-properties": PerAtomProperties[];
}

`{outputBase}_atoms.parquet`

Per-atom atomistic export consumed by the Elastic Strain Model exposure and exported as a GLB via AtomisticExporter. The envelope contains:

main_listing — aggregate counts: total_atoms, structure_count, clustered_atoms, unclustered_atoms.
sub_listings.structures — array of { structure_id, structure_name, atom_count } for each occupied structure type.
export.AtomisticExporter — atoms keyed by structure name. Each atom carries id, pos, structure_id, structure_type, structure_name, cluster_id, optional topology_name, and the strain quantities (volumetric_strain, strain_tensor, deformation_gradient) when computed.

Elastic Strain

Parameters

Output

`{outputBase}_elastic_strain.parquet`

`{outputBase}_atoms.parquet`

See Also

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