Library Cleaving¶
Library cleaving is the process of physically splitting a combinatorial library into smaller pieces for parallel processing and characterization. Each cleaved piece (child library) can contain multiple sample positions representing different composition points.
Understanding Physical Pieces vs. Sample Positions
For a detailed explanation of how cleaving creates physical pieces while sample positions remain coordinate-based, see the Combinatorial Libraries explanation.
Overview¶
This schema package defines:
- DTULibraryCleaving - A sample preparation process that physically divides a DTUCombinatorialLibrary into multiple smaller pieces (child libraries), each potentially containing several sample positions for measurement
The cleaving process extends NOMAD's Process and Activity base classes, providing:
- Link to input entity (the combinatorial library)
- Links to output entities (individual samples created)
- Cleaving method and pattern documentation
- Position/composition mapping for each sample
- Automated workflow integration
Cleaving and Annealing Workflow Integration¶
This section demonstrates how cleaving integrates into a combined cleaving and annealing workflow.
Hierarchical Sample Structure¶
To make the hierarchical sample structure operational, the annealing workflow was designed to capture and organize process data in line with the parent-child relationships created by virtual cleaving. This requirement guided the implementation of the RTP schema, which ensures that each annealing event is linked to the correct sample fragment while storing all relevant details from prior processing.
Complete Processing History¶
The database keeps a complete record of thermal treatments, enabling experimentalists to:
- Link annealing conditions: Directly connect temperature profiles and pressure to the resulting properties of each individual piece
- Trace origins: Track where each piece originated within the parent library
- Review prior processing: Access deposition details and other prior process steps
- Track property evolution: Follow how properties evolved from the initial state to the annealed condition
This comprehensive tracking enables deeper insights into material behavior and facilitates understanding of structure-property relationships.
Workflow Benefits¶
The cleaving/annealing workflow extends the database's capabilities by:
- Linking thermal treatment data to the hierarchical structure of combinatorial libraries
- Preserving processing history: Each child fragment retains its full processing history through parent library references
- Enabling comparison: Easy tracking, comparison, and analysis of property evolution across multiple processes
- Handling complexity: Flexible design handles the wide range of situations that come up in real lab work
- Knowledge transfer: Solutions established for one technique (sputtering) benefit implementation of new synthesis methods to track even more complex workflows
Typical Usage¶
- Select library: Reference the DTUCombinatorialLibrary to be divided
- Document pattern: Describe cleaving pattern (grid, linear array, custom)
- Create samples: Generate DTUCombinatorialSample entries for each piece
- Map positions: Document where each sample came from on the original library
- Link compositions: If composition varies across library, assign compositions to samples
Related Schemas¶
- Input entity: DTUCombinatorialLibrary (parent library)
- Output entities: Multiple child DTUCombinatorialLibrary entries (cleaved pieces)
- Sample positions: DTUCombinatorialSample entries reference coordinates on libraries or pieces
- Created from: Sputtering, Thermal Evaporation
- Followed by: Characterization measurements at specific sample positions
Schema Documentation¶
SampleProperty¶
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| source | nomad.datamodel.metainfo.basesections.v1.Activity |
The source of the sample property. |
| interpolation | ['Cubic', 'Linear', 'Nearest', 'None'] |
The interpolation method used to obtain the sample property. default= None |
Composition¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| X | float64 |
Atomic fraction of X in the sample. |
| H | float64 |
Atomic fraction of H in the sample. |
| He | float64 |
Atomic fraction of He in the sample. |
| Li | float64 |
Atomic fraction of Li in the sample. |
| Be | float64 |
Atomic fraction of Be in the sample. |
| B | float64 |
Atomic fraction of B in the sample. |
| C | float64 |
Atomic fraction of C in the sample. |
| N | float64 |
Atomic fraction of N in the sample. |
| O | float64 |
Atomic fraction of O in the sample. |
| F | float64 |
Atomic fraction of F in the sample. |
| Ne | float64 |
Atomic fraction of Ne in the sample. |
| Na | float64 |
Atomic fraction of Na in the sample. |
| Mg | float64 |
Atomic fraction of Mg in the sample. |
| Al | float64 |
Atomic fraction of Al in the sample. |
| Si | float64 |
Atomic fraction of Si in the sample. |
| P | float64 |
Atomic fraction of P in the sample. |
| S | float64 |
Atomic fraction of S in the sample. |
| Cl | float64 |
Atomic fraction of Cl in the sample. |
| Ar | float64 |
Atomic fraction of Ar in the sample. |
| K | float64 |
Atomic fraction of K in the sample. |
| Ca | float64 |
Atomic fraction of Ca in the sample. |
| Sc | float64 |
Atomic fraction of Sc in the sample. |
| Ti | float64 |
Atomic fraction of Ti in the sample. |
| V | float64 |
Atomic fraction of V in the sample. |
| Cr | float64 |
Atomic fraction of Cr in the sample. |
| Mn | float64 |
Atomic fraction of Mn in the sample. |
| Fe | float64 |
Atomic fraction of Fe in the sample. |
| Co | float64 |
Atomic fraction of Co in the sample. |
| Ni | float64 |
Atomic fraction of Ni in the sample. |
| Cu | float64 |
Atomic fraction of Cu in the sample. |
| Zn | float64 |
Atomic fraction of Zn in the sample. |
| Ga | float64 |
Atomic fraction of Ga in the sample. |
| Ge | float64 |
Atomic fraction of Ge in the sample. |
| As | float64 |
Atomic fraction of As in the sample. |
| Se | float64 |
Atomic fraction of Se in the sample. |
| Br | float64 |
Atomic fraction of Br in the sample. |
| Kr | float64 |
Atomic fraction of Kr in the sample. |
| Rb | float64 |
Atomic fraction of Rb in the sample. |
| Sr | float64 |
Atomic fraction of Sr in the sample. |
| Y | float64 |
Atomic fraction of Y in the sample. |
| Zr | float64 |
Atomic fraction of Zr in the sample. |
| Nb | float64 |
Atomic fraction of Nb in the sample. |
| Mo | float64 |
Atomic fraction of Mo in the sample. |
| Tc | float64 |
Atomic fraction of Tc in the sample. |
| Ru | float64 |
Atomic fraction of Ru in the sample. |
| Rh | float64 |
Atomic fraction of Rh in the sample. |
| Pd | float64 |
Atomic fraction of Pd in the sample. |
| Ag | float64 |
Atomic fraction of Ag in the sample. |
| Cd | float64 |
Atomic fraction of Cd in the sample. |
| In | float64 |
Atomic fraction of In in the sample. |
| Sn | float64 |
Atomic fraction of Sn in the sample. |
| Sb | float64 |
Atomic fraction of Sb in the sample. |
| Te | float64 |
Atomic fraction of Te in the sample. |
| I | float64 |
Atomic fraction of I in the sample. |
| Xe | float64 |
Atomic fraction of Xe in the sample. |
| Cs | float64 |
Atomic fraction of Cs in the sample. |
| Ba | float64 |
Atomic fraction of Ba in the sample. |
| La | float64 |
Atomic fraction of La in the sample. |
| Ce | float64 |
Atomic fraction of Ce in the sample. |
| Pr | float64 |
Atomic fraction of Pr in the sample. |
| Nd | float64 |
Atomic fraction of Nd in the sample. |
| Pm | float64 |
Atomic fraction of Pm in the sample. |
| Sm | float64 |
Atomic fraction of Sm in the sample. |
| Eu | float64 |
Atomic fraction of Eu in the sample. |
| Gd | float64 |
Atomic fraction of Gd in the sample. |
| Tb | float64 |
Atomic fraction of Tb in the sample. |
| Dy | float64 |
Atomic fraction of Dy in the sample. |
| Ho | float64 |
Atomic fraction of Ho in the sample. |
| Er | float64 |
Atomic fraction of Er in the sample. |
| Tm | float64 |
Atomic fraction of Tm in the sample. |
| Yb | float64 |
Atomic fraction of Yb in the sample. |
| Lu | float64 |
Atomic fraction of Lu in the sample. |
| Hf | float64 |
Atomic fraction of Hf in the sample. |
| Ta | float64 |
Atomic fraction of Ta in the sample. |
| W | float64 |
Atomic fraction of W in the sample. |
| Re | float64 |
Atomic fraction of Re in the sample. |
| Os | float64 |
Atomic fraction of Os in the sample. |
| Ir | float64 |
Atomic fraction of Ir in the sample. |
| Pt | float64 |
Atomic fraction of Pt in the sample. |
| Au | float64 |
Atomic fraction of Au in the sample. |
| Hg | float64 |
Atomic fraction of Hg in the sample. |
| Tl | float64 |
Atomic fraction of Tl in the sample. |
| Pb | float64 |
Atomic fraction of Pb in the sample. |
| Bi | float64 |
Atomic fraction of Bi in the sample. |
| Po | float64 |
Atomic fraction of Po in the sample. |
| At | float64 |
Atomic fraction of At in the sample. |
| Rn | float64 |
Atomic fraction of Rn in the sample. |
| Fr | float64 |
Atomic fraction of Fr in the sample. |
| Ra | float64 |
Atomic fraction of Ra in the sample. |
| Ac | float64 |
Atomic fraction of Ac in the sample. |
| Th | float64 |
Atomic fraction of Th in the sample. |
| Pa | float64 |
Atomic fraction of Pa in the sample. |
| U | float64 |
Atomic fraction of U in the sample. |
| Np | float64 |
Atomic fraction of Np in the sample. |
| Pu | float64 |
Atomic fraction of Pu in the sample. |
| Am | float64 |
Atomic fraction of Am in the sample. |
| Cm | float64 |
Atomic fraction of Cm in the sample. |
| Bk | float64 |
Atomic fraction of Bk in the sample. |
| Cf | float64 |
Atomic fraction of Cf in the sample. |
| Es | float64 |
Atomic fraction of Es in the sample. |
| Fm | float64 |
Atomic fraction of Fm in the sample. |
| Md | float64 |
Atomic fraction of Md in the sample. |
| No | float64 |
Atomic fraction of No in the sample. |
| Lr | float64 |
Atomic fraction of Lr in the sample. |
| Rf | float64 |
Atomic fraction of Rf in the sample. |
| Db | float64 |
Atomic fraction of Db in the sample. |
| Sg | float64 |
Atomic fraction of Sg in the sample. |
| Bh | float64 |
Atomic fraction of Bh in the sample. |
| Hs | float64 |
Atomic fraction of Hs in the sample. |
| Mt | float64 |
Atomic fraction of Mt in the sample. |
| Ds | float64 |
Atomic fraction of Ds in the sample. |
| Rg | float64 |
Atomic fraction of Rg in the sample. |
| Cn | float64 |
Atomic fraction of Cn in the sample. |
| Nh | float64 |
Atomic fraction of Nh in the sample. |
| Fl | float64 |
Atomic fraction of Fl in the sample. |
| Mc | float64 |
Atomic fraction of Mc in the sample. |
| Lv | float64 |
Atomic fraction of Lv in the sample. |
| Ts | float64 |
Atomic fraction of Ts in the sample. |
| Og | float64 |
Atomic fraction of Og in the sample. |
Deposition¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| temperature | float64 |
The (mean) temperature of the substrate during deposition. unit= kelvin |
| pressure | float64 |
The (mean) pressure of the deposition chamber during deposition. unit= pascal |
| time | float64 |
The duration of the deposition. unit= second |
| material_space | str |
The material space of the sample. |
| operator | str |
The name of the operator who created the sample. |
| method | ['Other', 'Rapid Thermal Processing', 'Sputtering'] |
The deposition method used to create the sample. |
XrdPeak¶
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| position | float64 |
The position of the peak. unit= 1 / nanometer |
| intensity | float64 |
The intensity of the peak. |
| fwhm | float64 |
The full width at half maximum of the peak. unit= 1 / nanometer |
XpsPeak¶
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| position | float64 |
The position of the peak. unit= electron_volt |
| intensity | float64 |
The intensity of the peak. |
| fwhm | float64 |
The full width at half maximum of the peak. unit= electron_volt |
BandGap¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| value | float64 |
The band gap of the sample. unit= electron_volt |
AbsorptionCoefficient¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| value | float64 |
The absorption coefficient of the sample. shape= ['*'], unit=1 / centimeter |
| energy | float64 |
The corresponding energies for the absorption coefficient values. shape= ['*'], unit=nanometer |
| absorption_edge | float64 |
The inflection point of the absorption spectrum. unit= electron_volt |
| mean_absorption_above_edge | float64 |
The mean absorption coefficient above the absorption edge. unit= 1 / centimeter |
Thickness¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| value | float64 |
The thickness of the sample. unit= nanometer |
CrystalStructure¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| space_group_nbr | int |
The space group number (1-230) |
| space_group | ['A e a 2', 'A e m 2', 'A m a 2', 'A m m 2', 'C 2', 'C 2 2 2', 'C 2 2 21', 'C 2/c', 'C 2/m', 'C c', 'C c c 2', 'C c c e', 'C c c m', 'C m', 'C m c 21', 'C m c e', 'C m c m', 'C m m 2', 'C m m e', 'C m m m', 'F -4 3 c', 'F -4 3 m', 'F 2 2 2', 'F 2 3', 'F 4 3 2', 'F 41 3 2', 'F d -3', 'F d -3 c', 'F d -3 m', 'F d d 2', 'F d d d', 'F m -3', 'F m -3 c', 'F m -3 m', 'F m m 2', 'F m m m', 'I -4', 'I -4 2 d', 'I -4 2 m', 'I -4 3 d', 'I -4 3 m', 'I -4 c 2', 'I -4 m 2', 'I 2 2 2', 'I 2 3', 'I 21 21 21', 'I 21 3', 'I 4', 'I 4 2 2', 'I 4 3 2', 'I 4 c m', 'I 4 m m', 'I 4/m', 'I 4/m c m', 'I 4/m m m', 'I 41', 'I 41 2 2', 'I 41 3 2', 'I 41 c d', 'I 41 m d', 'I 41/a', 'I 41/a c d', 'I 41/a m d', 'I a -3', 'I a -3 d', 'I b a 2', 'I b a m', 'I b c a', 'I m -3', 'I m -3 m', 'I m a 2', 'I m m 2', 'I m m a', 'I m m m', 'P -1', 'P -3', 'P -3 1 c', 'P -3 1 m', 'P -3 c 1', 'P -3 m 1', 'P -4', 'P -4 2 c', 'P -4 2 m', 'P -4 21 c', 'P -4 21 m', 'P -4 3 m', 'P -4 3 n', 'P -4 b 2', 'P -4 c 2', 'P -4 m 2', 'P -4 n 2', 'P -6', 'P -6 2 c', 'P -6 2 m', 'P -6 c 2', 'P -6 m 2', 'P 1', 'P 2', 'P 2 2 2', 'P 2 2 21', 'P 2 3', 'P 2/c', 'P 2/m', 'P 21', 'P 21 21 2', 'P 21 21 21', 'P 21 3', 'P 21/c', 'P 21/m', 'P 3', 'P 3 1 2', 'P 3 1 c', 'P 3 1 m', 'P 3 2 1', 'P 3 c 1', 'P 3 m 1', 'P 31', 'P 31 1 2', 'P 31 2 1', 'P 32', 'P 32 1 2', 'P 32 2 1', 'P 4', 'P 4 2 2', 'P 4 21 2', 'P 4 3 2', 'P 4 b m', 'P 4 c c', 'P 4 m m', 'P 4 n c', 'P 4/m', 'P 4/m b m', 'P 4/m c c', 'P 4/m m m', 'P 4/m n c', 'P 4/n', 'P 4/n b m', 'P 4/n c c', 'P 4/n m m', 'P 4/n n c', 'P 41', 'P 41 2 2', 'P 41 21 2', 'P 41 3 2', 'P 42', 'P 42 2 2', 'P 42 21 2', 'P 42 3 2', 'P 42 b c', 'P 42 c m', 'P 42 m c', 'P 42 n m', 'P 42/m', 'P 42/m b c', 'P 42/m c m', 'P 42/m m c', 'P 42/m n m', 'P 42/n', 'P 42/n b c', 'P 42/n c m', 'P 42/n m c', 'P 42/n n m', 'P 43', 'P 43 2 2', 'P 43 21 2', 'P 43 3 2', 'P 6', 'P 6 2 2', 'P 6 c c', 'P 6 m m', 'P 6/m', 'P 6/m c c', 'P 6/m m m', 'P 61', 'P 61 2 2', 'P 62', 'P 62 2 2', 'P 63', 'P 63 2 2', 'P 63 c m', 'P 63 m c', 'P 63/m', 'P 63/m c m', 'P 63/m m c', 'P 64', 'P 64 2 2', 'P 65', 'P 65 2 2', 'P a -3', 'P b a 2', 'P b a m', 'P b a n', 'P b c a', 'P b c m', 'P b c n', 'P c', 'P c a 21', 'P c c 2', 'P c c a', 'P c c m', 'P c c n', 'P m', 'P m -3', 'P m -3 m', 'P m -3 n', 'P m a 2', 'P m c 21', 'P m m 2', 'P m m a', 'P m m m', 'P m m n', 'P m n 21', 'P m n a', 'P n -3', 'P n -3 m', 'P n -3 n', 'P n a 21', 'P n c 2', 'P n m a', 'P n n 2', 'P n n a', 'P n n m', 'P n n n', 'R -3', 'R -3 c', 'R -3 m', 'R 3', 'R 3 2', 'R 3 c', 'R 3 m'] |
The space group symbol |
| a | float64 |
The lattice parameter a of the crystal structure. unit= nanometer |
| b | float64 |
The lattice parameter b of the crystal structure. unit= nanometer |
| c | float64 |
The lattice parameter c of the crystal structure. unit= nanometer |
| alpha | float64 |
The angle alpha of the crystal structure. unit= degree |
| beta | float64 |
The angle beta of the crystal structure. unit= degree |
| gamma | float64 |
The angle gamma of the crystal structure. unit= degree |
normalization:
Normalizes the crystal structure by ensuring that both space group number and symbol are set.
If only one of the space group number or symbol is provided, the other is derived using the ASE Spacegroup class.
Parameters¶
archive : Archive The archive object being normalized. logger : Logger Logger for recording normalization events or warnings.
XrdData¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| diffraction_intensity | float64 |
The intensity of the x-ray diffraction peaks. shape= ['*'], unit=dimensionless |
| scattering_vector | float64 |
The scattering vector of the x-ray diffraction peaks. shape= ['*'], unit=1 / nanometer |
| xrd_peaks | XrdPeak |
The x-ray diffraction peaks of the sample. sub-section, repeats |
| unique_peak_sets | UniqueXrdPeaksReference |
The sets of unique x-ray diffraction peaks of the sample. sub-section, repeats |
XpsData¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| intensity | float64 |
The intensity of the x-ray photoelectron spectroscopy peaks. shape= ['*'], unit=dimensionless |
| binding_energy | float64 |
The binding energy of the x-ray photoelectron spectroscopy peaks. shape= ['*'], unit=electron_volt |
| xps_peaks | XpsPeak |
The x-ray photoelectron spectroscopy peaks of the sample. sub-section, repeats |
EllipsometryData¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| refractive_index | float64 |
The refractive index of the sample. shape= ['*'], unit=dimensionless |
| extinction_coefficient | float64 |
The extinction coefficient of the sample. shape= ['*'], unit=dimensionless |
| wavelength | float64 |
The wavelength of the light used for ellipsometry. shape= ['*'], unit=nanometer |
UvVisData¶
inherits from: SampleProperty
properties:
| name | type | |
|---|---|---|
| reflectance | float64 |
The reflectance of the sample. shape= ['*'], unit=dimensionless |
| transmittance | float64 |
The transmittance of the sample. shape= ['*'], unit=dimensionless |
| wavelength | float64 |
The wavelength of the light used for UV-Vis spectroscopy. shape= ['*'], unit=nanometer |
DTUCombinatorialSample¶
inherits from: nomad_material_processing.combinatorial.CombinatorialSample, nomad.datamodel.data.EntryData
properties:
| name | type | |
|---|---|---|
| band_gap | BandGap |
sub-section |
| absorption_coefficient | AbsorptionCoefficient |
sub-section |
| thickness | Thickness |
sub-section |
| composition | Composition |
sub-section |
| surface_composition | Composition |
sub-section |
| deposition | Deposition |
sub-section |
| main_phase | CrystalStructure |
sub-section |
| secondary_phases | CrystalStructure |
sub-section, repeats |
| xrd_data | XrdData |
sub-section |
| xps_data | XpsData |
sub-section |
| ellipsometry_data | EllipsometryData |
sub-section |
| uv_vis_data | UvVisData |
sub-section |
normalization without further documentation
UniqueXrdPeaks¶
inherits from: nomad.datamodel.metainfo.basesections.v1.Entity
properties:
| name | type | |
|---|---|---|
| peak_positions | float64 |
The positions of the unique x-ray diffraction peaks. shape= ['*'] |
| max_q | float64 |
The maximum scattering vector of the pattern. unit= 1 / nanometer |
| min_q | float64 |
The minimum scattering vector of the pattern. unit= 1 / nanometer |
| crystal_structure | CrystalStructure |
sub-section |
| sub_sets | UniqueXrdPeaksReference |
sub-section, repeats |
normalization:
- If the instance is of type
EntryData, it sets the archive's entry name based on the instance's name. - Sets the
datetimefield to the current time if it is not already set. - Manages the
lab_idfield and updates the archive'sresults.eln.lab_idslist. - Adds the instance's
nameanddescriptionto the archive'sresults.eln.namesandresults.eln.descriptionslists, respectively. - Handles the
tagsattribute, if present, and updates the archive'sresults.eln.tagslist. - Appends the section's name to the archive's
results.eln.sectionslist.
UniqueXrdPeaksReference¶
inherits from: nomad.datamodel.metainfo.basesections.v1.EntityReference
properties:
| name | type | |
|---|---|---|
| reference | UniqueXrdPeaks |
A reference to a unique set of x-ray diffraction peaks. |
normalization:
Will attempt to fill the reference from the lab_id or vice versa.
ProcessParameterOverview¶
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| position_x | float64 |
The x-coordinate of the substrate on the platen. unit= meter |
| position_y | float64 |
The y-coordinate of the substrate on the platen. unit= meter |
| rotation | float64 |
The rotation of the substrate on the platen. unit= radian |
| width | float64 |
The width of the substrate. unit= meter |
| length | float64 |
The length of the substrate. unit= meter |
DTUCombinatorialLibrary¶
inherits from: nomad_material_processing.combinatorial.CombinatorialLibrary, nomad_material_processing.general.ThinFilmStack, nomad.datamodel.data.EntryData
properties:
| name | type | |
|---|---|---|
| process_parameter_overview | ProcessParameterOverview |
sub-section |
| geometry | nomad_material_processing.general.Geometry |
The geometries of the samples in the library. sub-section |
| parent_library | DtuLibraryReference |
The parent library of the combinatorial library. Only applicable if this library is a child of another library. sub-section |
normalization:
Normalizes the combinatorial library entry by ensuring required fields are set.
This method first calls the superclass's normalize method. It then checks if the geometry attribute is not set and, if so, attempts to set it from the substrate's reference geometry if available.
Parameters¶
archive : Archive The archive object being normalized. logger : Logger Logger for recording normalization events or warnings.
DtuLibraryReference¶
inherits from: nomad.datamodel.metainfo.basesections.v1.CompositeSystemReference
properties:
| name | type | |
|---|---|---|
| reference | DTUCombinatorialLibrary |
A reference to a NOMAD CompositeSystem entry. |
normalization:
Will attempt to fill the reference from the lab_id or vice versa.
DTULibraryParts¶
description: Schema for parts of a DTU combinatorial library.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| name | str |
The name of the library part. |
| library_name | str |
The name of the library. |
| lab_id | str |
The ID of the new library part. |
| upper_left_x | float64 |
The x-coordinate of the upper left corner of the library. unit= meter |
| upper_left_y | float64 |
The y-coordinate of the upper left corner of the library. unit= meter |
| lower_right_x | float64 |
The x-coordinate of the lower right corner of the library. unit= meter |
| lower_right_y | float64 |
The y-coordinate of the lower right corner of the library. unit= meter |
| part_size | float64 |
The size of the library in the x and y direction. shape= [2], unit=meter |
| geometry | nomad_material_processing.general.Geometry |
The geometries of the samples in the library. sub-section |
normalization:
The normalizer for the DTULibraryParts class.
Placeholder for normalization logic.
DTULibraryCleaving¶
description: Schema for substrate cleaving at the DTU Nanolab.
inherits from: nomad.datamodel.metainfo.basesections.v1.Process, nomad.datamodel.data.EntryData, nomad.datamodel.metainfo.plot.PlotSection
properties:
| name | type | |
|---|---|---|
| combinatorial_library | DTUCombinatorialLibrary |
The combinatorial sample that is broken into pieces . |
| fetch_library_size | bool |
Fetch the size of the library. |
| library_x_length | float64 |
The length of the library in the x direction. unit= meter |
| library_y_length | float64 |
The length of the library in the y direction. unit= meter |
| pattern | ['custom', 'horizontal stripes', 'squares', 'vertical stripes'] |
The pattern according to which the original library is broken. default= custom |
| number_of_pieces | int |
The number of pieces the original library is broken into for horizontal, vertical and custom. For squares it is the number of squares in one direction. |
| generate_pattern | bool |
Create the new pieces from the pattern. default= False |
| create_child_libraries | bool |
Create child libraries from the new pieces. default= False |
| new_pieces | DTULibraryParts |
sub-section, repeats |
| child_libraries | DtuLibraryReference |
The child libraries created from the combinatorial library. sub-section, repeats |
normalization:
The normalizer for the DTUSubstrateCleaning class.
Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.