nomad-material-processing 0.0.2__py3-none-any.whl

nomad_material_processing/__init__.py

@@ -0,0 +1,159 @@
+#
+# Copyright The NOMAD Authors.
+#
+# This file is part of NOMAD. See https://nomad-lab.eu for further info.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+#
+
+from structlog.stdlib import (
+    BoundLogger,
+)
+from nomad.metainfo import (
+    Package,
+    Quantity,
+    Section,
+)
+from nomad.datamodel.metainfo.basesections import (
+    SynthesisMethod,
+    CompositeSystem,
+)
+
+m_package = Package(name='Material Processing')
+
+
+class Substrate(CompositeSystem):
+    '''
+    A thin free standing sheet of material. Not to be confused with the substrate role
+    during a deposition, which can be a `Substrate` with `ThinFilm`(s) on it.
+    '''
+    m_def = Section()
+    thickness = Quantity(
+        type=float,
+        description='''
+        The (average) thickness of the substrate.
+        ''',
+        a_eln={
+            "component": "NumberEditQuantity",
+            "defaultDisplayUnit": "millimeter"
+        },
+        unit="meter",
+    )
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `Substrate` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(Substrate, self).normalize(archive, logger)
+
+
+class ThinFilm(CompositeSystem):
+    '''
+    A thin film of material which exists as part of a stack.
+    '''
+    m_def = Section()
+    thickness = Quantity(
+        type=float,
+        description='''
+        The (average) thickness of the thin film.
+        ''',
+        a_eln={
+            "component": "NumberEditQuantity",
+            "defaultDisplayUnit": "nanometer"
+        },
+        unit="meter",
+    )
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `ThinFilm` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(ThinFilm, self).normalize(archive, logger)
+
+
+class ThinFilmStack(CompositeSystem):
+    '''
+    A stack of `ThinFilm`(s). Typically deposited on a `Substrate`.
+    '''
+    m_def = Section()
+    substrate = Quantity(
+        type=Substrate,
+        description='''
+        The substrate which the thin film layers of the thin film stack are deposited
+        on.
+        ''',
+        a_eln={
+            "component": "ReferenceEditQuantity"
+        },
+    )
+    layers = Quantity(
+        type=ThinFilm,
+        description='''
+        An ordered list (starting at the substrate) of the thin films making up the
+        thin film stacks.
+        ''',
+        a_eln={
+            "component": "ReferenceEditQuantity"
+        },
+        shape=["*"],
+    )
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `ThinFilmStack` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(ThinFilmStack, self).normalize(archive, logger)
+
+
+class SampleDeposition(SynthesisMethod):
+    '''
+    The process of the settling of particles (atoms or molecules) from a solution,
+    suspension or vapour onto a pre-existing surface, resulting in the growth of a
+    new phase. [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+
+    Synonyms:
+     - deposition
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0001310"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `SampleDeposition` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(SampleDeposition, self).normalize(archive, logger)
+
+
+m_package.__init_metainfo__()

nomad_material_processing/crystal_growth.py

@@ -0,0 +1,79 @@
+#
+# Copyright The NOMAD Authors.
+#
+# This file is part of NOMAD. See https://nomad-lab.eu for further info.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+#
+
+from structlog.stdlib import (
+    BoundLogger,
+)
+from nomad.metainfo import (
+    Package,
+    Section,
+)
+from nomad_material_processing import (
+    SampleDeposition,
+)
+
+m_package = Package(name='Crystal Growth')
+
+
+class CrystalGrowth(SampleDeposition):
+    '''
+    Any synthesis method used to grow crystals.
+    [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0002224"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `CrystalGrowth` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(CrystalGrowth, self).normalize(archive, logger)
+
+
+class CzochralskiProcess(CrystalGrowth):
+    '''
+    A method of producing large single crystals (of semiconductors or metals) by
+    inserting a small seed crystal into a crucible filled with similar molten
+    material, then slowly pulling the seed up from the melt while rotating it.
+    [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0002158"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `CzochralskiProcess` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(CzochralskiProcess, self).normalize(archive, logger)
+
+
+m_package.__init_metainfo__()

nomad_material_processing/epitaxy.py

@@ -0,0 +1,149 @@
+#
+# Copyright The NOMAD Authors.
+#
+# This file is part of NOMAD. See https://nomad-lab.eu for further info.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+#
+
+from structlog.stdlib import (
+    BoundLogger,
+)
+from nomad.metainfo import (
+    Package,
+    Section,
+)
+from nomad_material_processing import (
+    SampleDeposition,
+)
+
+m_package = Package(name='Epitaxy')
+
+
+class Epitaxy(SampleDeposition):
+    '''
+    A synthesis method which consists of depositing a monocrystalline film (from
+    liquid or gaseous precursors) on a monocrystalline substrate.
+    [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0001336"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `Epitaxy` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(Epitaxy, self).normalize(archive, logger)
+
+
+class MolecularBeamEpitaxy(Epitaxy):
+    '''
+    A synthesis method which consists of depositing a monocrystalline film (from a
+    molecular beam) on a monocrystalline substrate under high vacuum (<10^{-8} Pa).
+    Molecular beam epitaxy is very slow, with a deposition rate of <1000 nm per hour.
+    [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+
+    Synonyms:
+     - MBE
+     - molecular-beam epitaxy
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0001341"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `MolecularBeamEpitaxy` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(MolecularBeamEpitaxy, self).normalize(archive, logger)
+
+
+class VaporPhaseEpitaxy(Epitaxy):
+    '''
+    A synthesis method which consists of depositing a monocrystalline film (from
+    vapour-phase precursors) on a monocrystalline substrate.
+    [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+
+    Synonyms:
+     - vapour-phase epitaxial growth
+     - vapor-phase epitaxy
+     - vapor phase epitaxy
+     - VPE
+     - vapour phase epitaxy
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0001346"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `VaporPhaseEpitaxy` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(VaporPhaseEpitaxy, self).normalize(archive, logger)
+
+
+class MetalOrganicVaporPhaseEpitaxy(VaporPhaseEpitaxy):
+    '''
+    A synthesis method which consists of depositing a monocrystalline film, from
+    organometallic vapour-phase precursors, on a monocrystalline substrate.
+    [database_cross_reference: https://orcid.org/0000-0002-0640-0422]
+
+    Synonyms:
+     - OMVPE
+     - MOVPE
+     - metalorganic vapour phase epitaxy
+     - metal organic vapour phase epitaxy
+     - metalorganic vapor phase epitaxy
+     - organometallic vapor phase epitaxy
+     - metal-organic vapor-phase epitaxy
+     - metal organic vapor phase epitaxy
+     - metal-organic vapour-phase epitaxy
+     - organometallic vapour phase epitaxy
+    '''
+    m_def = Section(
+        links=[
+            "http://purl.obolibrary.org/obo/CHMO_0001348"
+        ],)
+
+    def normalize(self, archive, logger: BoundLogger) -> None:
+        '''
+        The normalizer for the `MetalOrganicVaporPhaseEpitaxy` class.
+
+        Args:
+            archive (EntryArchive): The archive containing the section that is being
+            normalized.
+            logger (BoundLogger): A structlog logger.
+        '''
+        super(MetalOrganicVaporPhaseEpitaxy, self).normalize(archive, logger)
+
+
+m_package.__init_metainfo__()