nomad-material-processing 0.0.8__tar.gz → 0.0.10__tar.gz

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nomad-material-processing
-Version: 0.0.8
+Version: 0.0.10
 Summary: A plugin for NOMAD containing base sections for material processing.
 Author-email: Hampus Näsström <hampus.naesstroem@physik.hu-berlin.de>, Andrea Albino <andrea.albino@physik.hu-berlin.de>, Sebastian Brückner <sebastian.brueckner@ikz-berlin.de>
 License:                                  Apache License

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/src/nomad_material_processing/__init__.py

@@ -24,6 +24,8 @@ from nomad.metainfo import (
     Quantity,
     Section,
     SubSection,
+    Datetime,
+    MEnum,
 )
 from nomad.datamodel.metainfo.basesections import (
     ElementalComposition,
@@ -108,6 +110,33 @@ class Parallelepiped(Geometry):
         ),
         unit='meter',
     )
+    alpha = Quantity(
+        type=float,
+        description='The angle between y and z sides.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Alpha (∡ y-x-z)',
+        ),
+        unit='degree',
+    )
+    beta = Quantity(
+        type=float,
+        description='The angle between x and z sides.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Beta (∡ x-y-z)',
+        ),
+        unit='degree',
+    )
+    gamma = Quantity(
+        type=float,
+        description='The angle between x and y sides.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Gamma (∡ x-z-y)',
+        ),
+        unit='degree',
+    )
     surface_area = Quantity(
         type=float,
         description="""
@@ -123,6 +152,246 @@ class Parallelepiped(Geometry):
     )
 
 
+class SquareCuboid(Parallelepiped):
+    """
+    A cuboid with all sides equal in length.
+    """
+    m_def = Section()
+    height = Quantity(
+        type=float,
+        description='The z dimension of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter',
+            label='Height (z)',
+        ),
+        unit='meter',
+    )
+    side = Quantity(
+        type=float,
+        description='The x and y dimensions of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter',
+            label='Side (x = y)',
+        ),
+        unit='meter',
+    )
+    surface_area = Quantity(
+        type=float,
+        description="""
+        The product of length and width, representing the total exposed area of the
+        primary surface.
+        """,
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter ** 2',
+            label='Surface Area (x*y)',
+        ),
+        unit='meter ** 2',
+    )
+
+
+class RectangleCuboid(Parallelepiped):
+    """
+    A rectangular cuboid is a specific type of parallelepiped
+    where all angles between adjacent faces are right angles,
+    and all faces are rectangles.
+    """
+    m_def = Section()
+    height = Quantity(
+        type=float,
+        description='The z dimension of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter',
+            label='Height (z)',
+        ),
+        unit='meter',
+    )
+    width = Quantity(
+        type=float,
+        description='The x dimension of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter',
+            label='Width (x)',
+        ),
+        unit='meter',
+    )
+    length = Quantity(
+        type=float,
+        description='The y dimension of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter',
+            label='Length (y)',
+        ),
+        unit='meter',
+    )
+    surface_area = Quantity(
+        type=float,
+        description="""
+        The product of length and width, representing the total exposed area of the
+        primary surface.
+        """,
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='millimeter ** 2',
+            label='Surface Area (x*y)',
+        ),
+        unit='meter ** 2',
+    )
+
+
+class TruncatedCone(Geometry):
+    """
+    A cone with the top cut off parallel to the cone bottom.
+    """
+
+    m_def = Section()
+    height = Quantity(
+        type=float,
+        description='The z dimension of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='nanometer',
+        ),
+        label='Height (z)',
+        unit='meter',
+    )
+    lower_cap_radius = Quantity(
+        type=float,
+        description='Radius of the lower cap.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter',
+        ),
+        unit='meter',
+    )
+    upper_cap_radius = Quantity(
+        type=float,
+        description='Radius of the upper cap.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter',
+        ),
+        unit='meter',
+    )
+    lower_cap_surface_area = Quantity(
+        type=float,
+        description='Area of the lower cap.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter ** 2',
+        ),
+        unit='meter ** 2',
+    )
+    upper_cap_surface_area = Quantity(
+        type=float,
+        description='Area of the upper cap.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter ** 2',
+        ),
+        unit='meter ** 2',
+    )
+    lateral_surface_area = Quantity(
+        type=float,
+        description='Area of the lateral surface.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter ** 2',
+        ),
+        unit='meter ** 2',
+    )
+
+
+class Cylinder(Geometry):
+    """
+    A cylinder, i.e. a prism with a circular base.
+    """
+
+    m_def = Section()
+    height = Quantity(
+        type=float,
+        description='The z dimension of the parallelepiped.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='nanometer',
+        ),
+        label='Height (z)',
+        unit='meter',
+    )
+    radius = Quantity(
+        type=float,
+        description='Radius of the cylinder.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter',
+        ),
+        unit='meter',
+    )
+    lower_cap_surface_area = Quantity(
+        type=float,
+        description='Area of the lower cap.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter ** 2',
+        ),
+        unit='meter ** 2',
+    )
+    cap_surface_area = Quantity(
+        type=float,
+        description='Area of the cap.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter ** 2',
+        ),
+        unit='meter ** 2',
+    )
+    lateral_surface_area = Quantity(
+        type=float,
+        description='Area of the lateral surface.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='millimeter ** 2',
+        ),
+        unit='meter ** 2',
+    )
+
+
+class CylinderSector(Cylinder):
+    central_angle = Quantity(
+        type=float,
+        description="""The angle that defines the portion of the cylinder.
+        This angle is taken at the center of the base circle
+        and extends to the arc that defines the cylindrical sector.""",
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+        ),
+        unit='degree',
+    )
+
+
+class IrregularParallelSurfaces(Geometry):
+    """
+    A shape that does not fit into any of the other geometry classes.
+    """
+
+    m_def = Section()
+    height = Quantity(
+        type=float,
+        description='The z dimension of the irregular shape.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='nanometer',
+        ),
+        label='Height (z)',
+        unit='meter',
+    )
+
+
 class Miscut(ArchiveSection):
     """
     The miscut in a crystalline substrate refers to
@@ -144,7 +413,7 @@ class Miscut(ArchiveSection):
     )
     angle_deviation = Quantity(
         type=float,
-        description='The ± uncertainty in the angular displacement.',
+        description='The ± deviation in the angular displacement.',
         a_eln=ELNAnnotation(
             component=ELNComponentEnum.NumberEditQuantity,
             defaultDisplayUnit='deg',
@@ -177,6 +446,15 @@ class Dopant(ElementalComposition):
         ),
         unit='1 / m ** 3',
     )
+    doping_deviation = Quantity(
+        type=float,
+        description='The ± deviation in the doping level.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='1 / cm ** 3',
+        ),
+        unit='1 / m ** 3',
+    )
 
 
 class CrystalProperties(ArchiveSection):
@@ -191,7 +469,28 @@ class SubstrateCrystalProperties(CrystalProperties):
     """
     Crystallographic parameters such as orientation, miscut, and surface structure.
     """
-
+    bravais_lattices = Quantity(
+        type=MEnum(
+            'Triclinic',
+            'Monoclinic Simple',
+            'Monoclinic Base Centered',
+            'Orthorhombic Simple',
+            'Orthorhombic Base Centered',
+            'Orthorhombic Body Centered',
+            'Orthorhombic Face Centered',
+            'Tetragonal Simple',
+            'Tetragonal Body Centered',
+            'Cubic Simple',
+            'Cubic Body Centered',
+            'Cubic Face Centered',
+            'Trigonal',
+            'Hexagonal',
+        ),
+        description='The crystal system of the substrate.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.EnumEditQuantity,
+        ),
+    )
     orientation = Quantity(
         type=str,
         description="""
@@ -209,6 +508,44 @@ class SubstrateCrystalProperties(CrystalProperties):
         Section describing any miscut of the substrate with respect to the substrate
         orientation.
         """,
+        repeats=True,
+    )
+
+
+class ElectronicProperties(ArchiveSection):
+    """
+    The electronic properties of a material.
+    """
+
+    m_def = Section()
+
+    conductivity_type = Quantity(
+        type=MEnum(
+            'P-type',
+            'N-type',
+        ),
+        description='The type of semiconductor, N-type being electrons the majority carriers and P-type being holes the majority carriers.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.EnumEditQuantity,
+        ),
+    )
+    carrier_density = Quantity(
+        type=np.dtype(float),
+        unit='1 / cm**3',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+        ),
+        description='Concentration of free charge carriers, electrons in the conduction band and holes in the valence band.',
+    )
+    electrical_resistivity = Quantity(
+        type=float,
+        links=['http://fairmat-nfdi.eu/taxonomy/ElectricalResistivity'],
+        description='Resistance of the charges to move in the presence of an electric current.',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            defaultDisplayUnit='ohm cm',
+        ),
+        unit='ohm m',
     )
 
 
@@ -219,12 +556,12 @@ class Substrate(CompositeSystem):
     """
 
     m_def = Section()
+
     supplier = Quantity(
         type=str,
         description='The supplier of the current substrate specimen.',
         a_eln=ELNAnnotation(
             component=ELNComponentEnum.StringEditQuantity,
-            label='Name of Supplier',
         ),
     )
     supplier_id = Quantity(
@@ -242,6 +579,22 @@ class Substrate(CompositeSystem):
             label='Substrate ID',
         ),
     )
+    image = Quantity(
+        type=str,
+        description='A photograph or image of the substrate.',
+        a_browser={'adaptor': 'RawFileAdaptor'},
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.FileEditQuantity,
+        ),
+    )
+    information_sheet = Quantity(
+        type=str,
+        description='Pdf files containing certificate and other documentation.',
+        a_browser={'adaptor': 'RawFileAdaptor'},
+        a_eln=ELNAnnotation(
+            component='FileEditQuantity',
+        ),
+    )
 
 
 class CrystallineSubstrate(Substrate):
@@ -251,6 +604,8 @@ class CrystallineSubstrate(Substrate):
     """
 
     m_def = Section()
+
+
     geometry = SubSection(
         section_def=Geometry,
         description='Section containing the geometry of the substrate.',
@@ -259,6 +614,10 @@ class CrystallineSubstrate(Substrate):
         section_def=SubstrateCrystalProperties,
         description='Section containing the crystal properties of the substrate.',
     )
+    electronic_properties = SubSection(
+        section_def=ElectronicProperties,
+        description='Section containing the electronic properties of the substrate.',
+    )
     dopants = SubSection(
         section_def=Dopant,
         repeats=True,

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/src/nomad_material_processing/vapor_deposition/__init__.py

@@ -314,11 +314,19 @@ class Pressure(TimeSeries):
         type=float,
         unit='pascal',
         shape=['*'],
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+        ),
     )
     set_time = Quantity(
         type=float,
         unit='second',
         shape=['*'],
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set time',
+        ),
     )
 
 

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/src/nomad_material_processing/vapor_deposition/cvd/__init__.py

@@ -38,6 +38,7 @@ from nomad.datamodel.metainfo.plot import PlotSection, PlotlyFigure
 
 from nomad.datamodel.metainfo.basesections import (
     PubChemPureSubstanceSection,
+    PureSubstanceComponent,
 )
 from nomad_material_processing import (
     TimeSeries,
@@ -49,7 +50,7 @@ from nomad_material_processing.vapor_deposition import (
     VolumetricFlowRate,
     Pressure,
     Temperature,
-
+    GasFlow,
 )
 
 
@@ -64,6 +65,59 @@ if TYPE_CHECKING:
 m_package = Package(name="Chemical Vapor Deposition")
 
 
+class ComponentConcentration(PureSubstanceComponent):
+    """
+    The concentration of a component in a mixed material.
+    """
+
+    theoretical_concentration = Quantity(
+        type=float,
+        description='The concentration planned for the component.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='mol / liter',
+            minValue=0,
+        ),
+        unit='mol / liter',
+    )
+    effective_concentration = Quantity(
+        type=float,
+        description='The concentration calculated from the component moles and total volume.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='mol / liter',
+            minValue=0,
+        ),
+        unit='mol / liter',
+    )
+
+class PushPurgeGasFlow(GasFlow):
+    """
+    Section describing the flow of a gas.
+    """
+
+    m_def = Section(
+        a_plot=[dict(
+            # x=['flow_rate/time', 'flow_rate/set_time'],
+            # y=['flow_rate/value', 'flow_rate/set_value'],
+            x='flow_rate/time',
+            y='flow_rate/value',
+        ),
+        dict(
+            x='purge_flow_rate/time',
+            y='purge_flow_rate/value',
+        ),
+        ],
+    )
+    flow_rate = SubSection(
+        section_def=VolumetricFlowRate,
+        label="push_flow_rate",
+    )
+    purge_flow_rate = SubSection(
+        section_def=VolumetricFlowRate,
+    )
+
+
 class Rotation(TimeSeries):
     """
     Rotation
@@ -82,33 +136,34 @@ class Rotation(TimeSeries):
     )
     value = Quantity(
         type=float,
-        description="FILL THE DESCRIPTION",
-        a_eln=ELNAnnotation(
-            component="NumberEditQuantity",
-            defaultDisplayUnit="rpm",
-        ),
+        description="The rotation of the sample holder, or susceptor.",
+        # a_eln=ELNAnnotation(
+        #     component="NumberEditQuantity",
+        #     defaultDisplayUnit="rpm",
+        # ),
         unit="rpm",
     )
 
 
 class PartialVaporPressure(Pressure):
     """
-    The Partial Vapor Pressure (or Equilibrium Vapor Pressure), p, is the pressure exerted 
-    by a vapor in thermodynamic equilibrium with its condensed phases (solid or liquid) 
-    at a given temperature in a closed system. 
-    
+    The Partial Vapor Pressure (or Equilibrium Vapor Pressure), p, is the pressure exerted
+    by a vapor in thermodynamic equilibrium with its condensed phases (solid or liquid)
+    at a given temperature in a closed system.
+
     It can be approximately calculated by the semiempirical Antoine equation.
     It is a relation between the vapor pressure and temperature of pure substances.
     log10(p) = A - [B / (T + C)]
     https://en.wikipedia.org/wiki/Vapor_pressure
     The August-Antoine equation is a simplified version of the Antoine equation,
-    sometimes used to calculate Partial Vapor Pressure. 
-    This assumes a temperature-independent heat of vaporization, i.e., C = 0. 
+    sometimes used to calculate Partial Vapor Pressure.
+    This assumes a temperature-independent heat of vaporization, i.e., C = 0.
     https://en.wikipedia.org/wiki/Antoine_equation
     """
+
     set_value = Quantity(
         type=float,
-        description="FILL THE DESCRIPTION",
+        description="The value scalar set for this parameter.",
         a_eln={"component": "NumberEditQuantity", "defaultDisplayUnit": "mbar"},
         unit="pascal",
     )
@@ -143,6 +198,7 @@ class BubblerMolarFlowRate(MolarFlowRate):
     Journal of Vacuum Science & Technology A 8, 800 (1990); doi: 10.1116/1.576921
 
     """
+
     value = MolarFlowRate.value.m_copy()
     set_value = MolarFlowRate.set_value.m_copy()
     set_value.a_eln.defaultDisplayUnit = "mol/minute"
@@ -152,14 +208,17 @@ class CVDEvaporationSource(EvaporationSource):
     pressure = SubSection(
         section_def=Pressure,
     )
+    precursor_partial_pressure = SubSection(
+        section_def=PartialVaporPressure,
+    )
     temperature = SubSection(
         section_def=Temperature,
     )
     total_flow_rate = SubSection(
         section_def=VolumetricFlowRate,
         description="""
-        The total flow rate exiting the source. 
-        It can be the sum of precursor and carrier gas or only a gas, 
+        The total flow rate exiting the source.
+        It can be the sum of precursor and carrier gas or only a gas,
         depending on the nature of the source.
         """,
     )
@@ -186,9 +245,6 @@ class BubblerEvaporator(CVDEvaporationSource):
           leading to thin film growth.
     """
 
-    precursor_partial_pressure = SubSection(
-        section_def=PartialVaporPressure,
-    )
     carrier_gas = SubSection(
         section_def=PubChemPureSubstanceSection,
     )
@@ -252,6 +308,7 @@ class FlashEvaporator(CVDEvaporationSource):
     - Transport to Reaction Chamber.
     - Temperature Regulation.
     """
+
     carrier_gas = SubSection(
         section_def=PubChemPureSubstanceSection,
     )
@@ -270,40 +327,66 @@ class FlashEvaporator(CVDEvaporationSource):
     pass
 
 
-class GasSupply(CVDEvaporationSource):
+class MistEvaporator(CVDEvaporationSource):
     """
-    In chemical vapor deposition (CVD), the gas supply plays a critical role 
-    in providing the necessary precursor molecules for the deposition process. 
-    These precursor gases are typically delivered to the reaction chamber 
-    through various methods depending on the specific setup and requirements 
-    of the CVD process.
+    MIST-CVD source is a novel method for the deposition of thin films.
     """
-    pass
 
 
-class GasLine(GasSupply):
+class GasLineEvaporator(CVDEvaporationSource):
     """
-    Gas lines are used to transport the precursor gases from their source to the reaction chamber. 
-    These lines are often made of materials that are compatible with the precursor gases 
-    and can withstand the process conditions. 
-    They may also be heated or insulated to maintain the gases at the desired temperature 
+    In chemical vapor deposition (CVD), the gas supply plays a critical role
+    in providing the necessary precursor molecules for the deposition process.
+
+    Gas lines are used to transport the precursor gases from their source to the reaction chamber.
+    These lines are often made of materials that are compatible with the precursor gases
+    and can withstand the process conditions.
+    They may also be heated or insulated to maintain the gases at the desired temperature
     and prevent condensation or undesired reactions within the lines.
     """
+
     pass
 
 
-class GasCylinder(GasSupply):
+class GasCylinderEvaporator(CVDEvaporationSource):
     """
-    Contains the precursor gases under pressure. 
-    These cylinders are connected to the CVD chamber through a system of valves, 
-    regulators, and tubing. 
-    The flow rate of each gas can be controlled precisely using flow meters 
+    In chemical vapor deposition (CVD), the gas supply plays a critical role
+    in providing the necessary precursor molecules for the deposition process.
+
+    Contains the precursor gases under pressure.
+    These cylinders are connected to the CVD chamber through a system of valves,
+    regulators, and tubing.
+    The flow rate of each gas can be controlled precisely using flow meters
     or mass flow controllers to achieve the desired deposition conditions.
     """
-    pass
+
+    dilution_in_cylinder = Quantity(
+        type=float,
+        description='The gas dilution in the cylinder.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+        ),
+    )
+
+    effective_flow_rate = SubSection(
+        section_def=VolumetricFlowRate,
+        description="""
+        Effective flow rate, to be defined better.
+        """,
+    )
 
 
 class CVDSource(VaporDepositionSource):
+    """
+    A source of vapor for chemical vapor deposition (CVD) processes.
+    """
+    valve = Quantity(
+        type=bool,
+        description='is the valve open?',
+        a_eln=ELNAnnotation(
+            component='BoolEditQuantity',
+        ),
+    )
     vapor_source = SubSection(
         section_def=CVDEvaporationSource,
         description="""
@@ -312,4 +395,64 @@ class CVDSource(VaporDepositionSource):
     )
 
 
+class BubblerSource(CVDSource):
+    vapor_source = SubSection(
+        section_def=BubblerEvaporator,
+    )
+
+
+class GasLineSource(CVDSource):
+    vapor_source = SubSection(
+        section_def=GasLineEvaporator,
+    )
+
+
+class GasCylinderSource(CVDSource):
+    vapor_source = SubSection(
+        section_def=GasCylinderEvaporator,
+    )
+
+
+class FlashSource(CVDSource):
+    vapor_source = SubSection(
+        section_def=FlashEvaporator,
+        description="""
+        Example: A heater, a filament, a laser, a bubbler, etc.
+        """,
+    )
+
+
+class MistSource(CVDSource):
+    """
+    Mist-CVD source is a novel method for the deposition of thin films.
+    """
+    item = Quantity(
+        type=str,
+        description='An ID used to identify the solution.',
+        a_eln=ELNAnnotation(
+            component='StringEditQuantity',
+        ),
+    )
+    stirring_time = Quantity(
+        type=float,
+        description='Solution stirring time.',
+        a_eln=ELNAnnotation(
+            component='NumberEditQuantity',
+            defaultDisplayUnit='minute',
+        ),
+        unit='second',
+    )
+    description = Quantity(
+        type=str,
+        description='Some notes.',
+        a_eln=ELNAnnotation(
+            component='StringEditQuantity',
+        ),
+    )
+    vapor_source = SubSection(
+        section_def=MistEvaporator,
+    )
+    material = SubSection(section_def=ComponentConcentration, repeats=True)
+
+
 m_package.__init_metainfo__()

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/src/nomad_material_processing/vapor_deposition/pvd/__init__.py

@@ -65,10 +65,23 @@ class SourcePower(TimeSeries):
             y='value',
         ),
     )
-    value = TimeSeries.value.m_copy()
-    value.unit = 'watt'
-    set_value = TimeSeries.set_value.m_copy()
-    set_value.unit = 'watt'
+
+    value = Quantity(
+        type=float,
+        unit='watt',
+        shape=['*'],
+    )
+    set_value = Quantity(
+        type=float,
+        description='The set value(s) (i.e. the intended values) set.',
+        shape=['*'],
+        unit='watt',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+            defaultDisplayUnit='watt',
+        ),
+    )
 
 
 class PVDEvaporationSource(EvaporationSource):
@@ -105,10 +118,23 @@ class ImpingingFlux(TimeSeries):
             component=ELNComponentEnum.EnumEditQuantity,
         ),
     )
-    value = TimeSeries.value.m_copy()
-    value.unit = 'mol/meter ** 2/second'
-    set_value = TimeSeries.set_value.m_copy()
-    set_value.unit = 'mol/meter ** 2/second'
+
+    value = Quantity(
+        type=float,
+        unit='mol/meter ** 2/second',
+        shape=['*'],
+    )
+    set_value = Quantity(
+        type=float,
+        description='The set value(s) (i.e. the intended values) set.',
+        shape=['*'],
+        unit='mol/meter ** 2/second',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+            defaultDisplayUnit='mol/meter ** 2/second',
+        ),
+    )
 
 
 class PVDSource(VaporDepositionSource):
@@ -117,11 +143,11 @@ class PVDSource(VaporDepositionSource):
             dict(
                 x=[
                     'vapor_source/power/time',
-                    'impinging_flux/time',
+                    'impinging_flux/:/time',
                 ],
                 y=[
                     'vapor_source/power/value',
-                    'impinging_flux/value',
+                    'impinging_flux/:/value',
                 ],
             ),
         ],

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/src/nomad_material_processing/vapor_deposition/pvd/thermal.py

@@ -35,6 +35,11 @@ from nomad_material_processing.vapor_deposition.pvd import (
     PhysicalVaporDeposition,
 )
 
+from nomad.datamodel.metainfo.annotations import (
+    ELNAnnotation,
+    ELNComponentEnum,
+)
+
 if TYPE_CHECKING:
     from nomad.datamodel.datamodel import (
         EntryArchive,
@@ -59,11 +64,22 @@ class ThermalEvaporationHeaterTemperature(TimeSeries):
             y='value',
         ),
     )
-    value = TimeSeries.value.m_copy()
-    value.unit = 'kelvin'
-    set_value = TimeSeries.set_value.m_copy()
-    set_value.unit = 'kelvin'
-    set_value.a_eln.defaultDisplayUnit = 'celsius'
+    value = Quantity(
+        type=float,
+        unit='kelvin',
+        shape=['*'],
+    )
+    set_value = Quantity(
+        type=float,
+        description='The set value(s) (i.e. the intended values) set.',
+        shape=['*'],
+        unit='kelvin',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+            defaultDisplayUnit='celsius',
+        ),
+    )
 
 
 class ThermalEvaporationHeater(PVDEvaporationSource):
@@ -102,11 +118,11 @@ class ThermalEvaporationSource(PVDSource):
     m_def = Section(
         a_plot=dict(
             x=[
-                'impinging_flux/time',
+                'impinging_flux/:/time',
                 'vapor_source/temperature/time',
             ],
             y=[
-                'impinging_flux/value',
+                'impinging_flux/:/value',
                 'vapor_source/temperature/value',
             ],
             lines=[
@@ -134,8 +150,8 @@ class ThermalEvaporationStep(PVDStep):
     m_def = Section(
         a_plot=[
             dict(
-                x='sources/:/impinging_flux/time',
-                y='sources/:/impinging_flux/value',
+                x='sources/:/impinging_flux/:/time',
+                y='sources/:/impinging_flux/:/value',
             ),
             dict(
                 x='sources/:/vapor_source/temperature/time',
@@ -173,8 +189,8 @@ class ThermalEvaporation(PhysicalVaporDeposition):
         links=['http://purl.obolibrary.org/obo/CHMO_0001360'],
         a_plot=[
             dict(
-                x='steps/:/sources/:/impinging_flux/time',
-                y='steps/:/sources/:/impinging_flux/value',
+                x='steps/:/sources/:/impinging_flux/:/time',
+                y='steps/:/sources/:/impinging_flux/:/value',
             ),
             dict(
                 x='steps/:/sources/:/vapor_source/temperature/time',

{nomad_material_processing-0.0.8 → nomad_material_processing-0.0.10}/src/nomad_material_processing.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nomad-material-processing
-Version: 0.0.8
+Version: 0.0.10
 Summary: A plugin for NOMAD containing base sections for material processing.
 Author-email: Hampus Näsström <hampus.naesstroem@physik.hu-berlin.de>, Andrea Albino <andrea.albino@physik.hu-berlin.de>, Sebastian Brückner <sebastian.brueckner@ikz-berlin.de>
 License:                                  Apache License