New materials schema with chemical composition

schema/material_details.v1-2-0.json

+{
+  "$id": "material_details.v1-2-0.json",
+  "$schema": "https://raw.githubusercontent.com/Vidminas/python-jsonschema-minmax/main/metaschema/minmax-metaschema.json",
+  
+  "unevaluatedProperties": true,
+
+  "allOf": [
+    { "$ref": "versioned-schema.json" },
+    {
+      "type": "object",
+      "properties": {
+        "material_notes": { "label": "Additional Notes", "type": "string", "description": "For example, please describe any unique material properties or associated information." },
+        "size_distribution": { "$ref": "#/$defs/size_distribution" },
+        "shape_description": { "$ref": "#/$defs/shape_description" },
+        "physical_properties": { "$ref": "#/$defs/physical_properties" },
+        "mechanical_properties": { "$ref": "#/$defs/mechanical_properties" },
+        "thermal_properties": { "$ref": "#/$defs/thermal_properties" },
+        "chemical_properties": { "$ref": "#/$defs/chemical_properties" },
+        "chemical_composition": { "$ref": "#/$defs/chemical_composition" },
+        "trace_elements": { "$ref": "#/$defs/trace_elements" }
+      }
+    }
+  ],
+
+  "$defs": {
+    "size_distribution": {
+      "label": "Size Distribution",
+      "type": "object",
+      "properties": {
+        "units": {"label": "Units", "enum": ["micron","mm"]},
+        "measurement_method": {"label": "Measurement Method", "enum": ["Dynamic Light Scattering", "Laser Diffraction", "Image Analysis", "Sieve Analysis"] },
+        "Dmin": {"label": "Dmin", "type": "number", "minimum": 0, "maxVariable": "D50", "description": "e.g., 1.1" },
+        "Dmax": {"label": "Dmax", "type": "number", "minVariable": "D50", "description": "e.g., 25" },
+        "D50": {"label": "D50", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 4.7" },
+        "D10": {"label": "D10", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 1.3" },
+        "D30": {"label": "D30", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 3.35" },
+        "D60": {"label": "D60", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 7.85" },
+        "D90": {"label": "D90", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 22.5" },
+        "D[3,2]": {"label": "D[3,2]", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 14" },
+        "D[4,3]": {"label": "D[4,3]", "type": "number", "minVariable": "Dmin", "maxVariable": "Dmax", "description": "e.g., 17" },
+        "cu": {"label": "Coefficient of Uniformity", "type": "number", "description": "Calculated automatically" },
+        "cz": {"label": "Coefficient of Curvature", "type": "number", "description": "Calculated automatically" },
+        "span": {"label": "Span", "type": "number", "description": "Calculated automatically" }
+      },
+      "additionalProperties": false,
+      "required": ["Dmin", "Dmax", "D50", "measurement_method", "units"]
+    },
+    "shape_description": {
+      "label": "Shape Description",
+      "type": "object",
+      "properties": {
+        "aspect_ratio": { "label": "Aspect Ratio", "type": "number", "minimum": 0 },
+        "sphericity_ratio": { "label": "Sphericity Ratio", "type": "number", "minimum": 0 },
+        "elongation_ratio": { "label": "Elongation Ratio", "type": "number", "minimum": 0 },
+        "roundness": { "label": "Roundness", "type": "number", "minimum": 0 },
+        "angularity_index": { "label": "Angularity Index", "type": "number", "minimum": 0 },
+        "convexity_index": { "label": "Convexity Index", "type": "number", "minimum": 0 },
+        "compactness_index": { "label": "Compactness Index", "type": "number", "minimum": 0 }
+      },
+      "additionalProperties": false
+    },
+    "physical_properties": {
+      "label": "Physical Properties",
+      "type": "object",
+      "properties": {
+        "refractive_index": {"label": "Refractive Index", "type": "number", "minimum": 1, "units": ["-"]},
+        "true_density": { "label": "True Density", "type": "number", "minimum": 0, "units": ["kg/m^3"]},
+        "envelope_density": {"label": "Envelope Density", "type": "number", "minimum": 0, "units": ["kg/m^3"] },
+        "specific_gravity": {"label": "Specific Gravity", "type": "number", "minimum": 0, "units": ["None"] },
+        "particle_porosity": {"label": "Particle Porosity", "type": "number", "minimum": 0, "units": ["None"] },
+        "colour": { "label": "Colour", "type": "string" },
+        "coating_material": {"label": "Coating Material", "type": "string" }
+      },
+      "additionalProperties": false
+    },
+    "mechanical_properties": {
+      "label": "Mechanical Properties",
+      "type": "object",
+      "properties": {
+        "shear_modulus": {"label": "Shear Modulus", "type": "number", "minimum": 1, "units": ["Pa"] },
+        "youngs_modulus": {"label": "Youngs Modulus", "type": "number", "minimum": 1, "units": ["Pa"] },
+        "poissons_ratio": {"label": "Poissons Ratio", "type": "number", "units": ["None"] },
+        "mineral_hardness": {"label": "Mineral Hardness", "type": "number", "minimum": 0, "maximum": 1000, "units":["mohs"] },
+        "hardness": {"label": "Hardness", "type": "number", "units": ["N/mm^2"] },
+        "toughness": {"label": "Toughness", "type": "number", "units": ["Pa"] },
+        "ductility": {"label": "Ductility", "type": "number", "units": ["None"] }
+      },
+      "additionalProperties": false
+    },
+    "thermal_properties": { 
+      "label": "Thermal Properties",
+      "type": "object",
+      "properties": {
+        "melting_point": {"label": "Melting Point", "type": "number", "minimum": -273, "maximum": 3000, "units": ["C"] },
+        "boiling_point": {"label": "Boiling Point", "type": "number", "minimum": -273, "maximum": 3000, "units": ["C"] },
+        "heat_capacity": {"label": "Heat Capacity", "type": "number", "units": ["J/K"] },
+        "specific_heat_capacity": {"label": "Specific Heat Capacity", "type": "number", "units": ["J/(kg K)"] },
+        "thermal_expansion_coefficient": {"label": "Thermal Expansion Coefficient", "type": "number", "units": ["1/K"] },
+        "glass_transition_temperature": {"label": "Glass Transition Temperature", "type": "number", "units": ["C"] }
+
+      },
+      "additionalProperties": false
+    },
+    "chemical_properties": {
+      "label": "Chemical Properties",
+      "type": "object",
+      "properties": {
+        "pH": {"type": "number", "exclusiveMinimum": 0, "exclusiveMaximum": 14, "units": ["pH"]},
+        "solubility": {"label": "Solubility", "type": "number", "units": ["g/l"] },
+        "reactivity": {"label": "Reactivity", "type": "number", "units": ["kg/m^3"] },
+        "hygroscopicity": {"label": "Hygroscopicity", "type": "number"},
+        "hydrophilic_hydrophobic": {"label": "Hydrophilic or Hydrophobic?", "enum": ["Hydrophilic","Hydrophobic"]}, 
+        "oleophilic_oleophobic": {"label": "Oleophilic or Oleophobic?", "enum": ["Oleophilic","Oleophobic"]},
+        "surface_energy": {"label": "Surface Energy", "type": "number", "units": ["mJ/m^2"] },
+        "surface_tension": {"label": "Surface Tension", "type": "number", "units": ["mN/m"] },
+        "conductivity": {"label": "Conductivity", "type": "number", "units": ["S/m"] },
+        "flammability": {"label": "Flammability", "type": "string"}
+
+      },
+      "additionalProperties": false
+    },
+    "chemical_composition": {
+      "label": "Chemical Composition",
+      "type": "object",
+      "properties": {
+        "compound": {"label": "Compound", "type": "string", "description": "Please provide as comma separated list"}, 
+        "proportion": {"label": "Proportion", "type": "string", "description": "Please provide as comma separated list"}},
+      "additionalProperties": false
+    }
+    ,
+    "trace_elements": {
+      "label": "Trace Elements",
+      "type": "object",
+      "properties": {
+        "trace_element": {"label": "Element", "type": "string", "description": "Please provide as comma separated list"}, 
+        "amount": {"label": "Amount [ppm]", "type": "string", "description": "Please provide as comma separated list"}},
+      "additionalProperties": false
+    }
+  }
+}