Materials Science Ontology

FLOW Materials_Science_Ontology_AI_Search

VERSION 4.0

AUTHORS
    Mark Higgins
    Sky Recursive AI

SOURCE
    https://kirethresearch.org

PAGE
    Materials Science Ontology

PURPOSE
    Define Materials Science as a machine-readable ontology for AI systems.

    Provide a structured semantic model for interpreting materials, material
    classes, composition, structure, microstructure, properties, processing
    methods, performance behaviour, testing procedures, degradation, failure
    modes, equations, units, symbols, constants and experimental evidence.

DOMAIN
    Semantic Library
    AI Core
    Scientific Ontologies
    Materials Science Ontology

CORE_CLAIM
    Materials Science is represented as a structured ontology of material
    entities, composition, atomic structure, microstructure, processing history,
    property relationships, performance conditions, testing evidence,
    degradation mechanisms and engineering suitability.

AI_CONSUMPTION
    This flow is intended for artificial intelligence systems, semantic search
    engines, reasoning agents, retrieval systems, knowledge graphs and future
    AI architectures.

POSITION_IN_LIBRARY
    Semantic Library
        → AI Core
            → Ontologies
                → Scientific Ontologies
                    → Materials Science Ontology

ONTOLOGY_TYPE
    Domain Ontology

PRIMARY_FUNCTION
    Organise materials knowledge into explicit semantic categories that can be
    searched, linked, inferred, validated and extended.

FACTS
    Materials Science studies the relationship between composition, structure,
    processing, properties and performance.

    Materials Science includes metallurgy, ceramics, polymer science,
    composites, semiconductors, nanomaterials, biomaterials, surface science,
    corrosion science, crystallography and materials engineering.

    Materials systems include atoms, bonds, crystal structures, phases,
    grains, defects, interfaces, microstructures, composites, coatings and
    engineered components.

    Materials Science depends on synthesis, processing, characterisation,
    mechanical testing, thermal testing, electrical testing, microscopy,
    spectroscopy, modelling, simulation and performance evaluation.

    Materials knowledge must distinguish between composition, structure,
    microstructure, measured property, processing condition, test method,
    service environment, failure mechanism, model prediction and theoretical
    interpretation.

PRIMARY_ENTITIES
    ENTITY MATERIALS_SCIENCE
        TYPE: scientific_domain
        DESCRIPTION: Study of materials through the relationship between
        composition, structure, processing, properties and performance.
        CONFIDENCE: 1.00

    ENTITY MATERIAL
        TYPE: material_entity
        DESCRIPTION: Physical substance or engineered matter with defined
        composition, structure and properties.
        CONFIDENCE: 1.00

    ENTITY METAL
        TYPE: material_class
        DESCRIPTION: Material characterised by metallic bonding, electrical
        conductivity, ductility and metallic structure.
        CONFIDENCE: 0.95

    ENTITY CERAMIC
        TYPE: material_class
        DESCRIPTION: Inorganic non-metallic material often characterised by
        ionic or covalent bonding, hardness and thermal resistance.
        CONFIDENCE: 0.95

    ENTITY POLYMER
        TYPE: material_class
        DESCRIPTION: Material composed of long molecular chains formed from
        repeating units.
        CONFIDENCE: 0.95

    ENTITY COMPOSITE
        TYPE: material_class
        DESCRIPTION: Material formed from two or more distinct constituents
        combined to produce improved or specialised properties.
        CONFIDENCE: 0.95

    ENTITY SEMICONDUCTOR
        TYPE: material_class
        DESCRIPTION: Material with electrical conductivity between conductor
        and insulator, often controllable by doping or structure.
        CONFIDENCE: 0.95

    ENTITY BIOMATERIAL
        TYPE: material_class
        DESCRIPTION: Material designed to interact with biological systems for
        medical, therapeutic or diagnostic purposes.
        CONFIDENCE: 0.90

    ENTITY NANOMATERIAL
        TYPE: material_class
        DESCRIPTION: Material with structural features at nanoscale dimensions
        that influence properties.
        CONFIDENCE: 0.90

    ENTITY SMART_MATERIAL
        TYPE: material_class
        DESCRIPTION: Material that responds to external stimuli such as heat,
        stress, light, electric field or magnetic field.
        CONFIDENCE: 0.90

    ENTITY ATOMIC_STRUCTURE
        TYPE: material_structure
        DESCRIPTION: Arrangement of atoms and bonding within a material.
        CONFIDENCE: 1.00

    ENTITY CRYSTAL_STRUCTURE
        TYPE: material_structure
        DESCRIPTION: Ordered periodic arrangement of atoms, ions or molecules
        in a crystalline material.
        CONFIDENCE: 1.00

    ENTITY MICROSTRUCTURE
        TYPE: material_structure
        DESCRIPTION: Internal structure of a material observed at microscopic
        scale, including grains, phases, defects and interfaces.
        CONFIDENCE: 1.00

    ENTITY PHASE
        TYPE: material_state_region
        DESCRIPTION: Physically and chemically distinct region of material with
        uniform structure or composition.
        CONFIDENCE: 0.95

    ENTITY GRAIN
        TYPE: microstructural_feature
        DESCRIPTION: Individual crystal region within a polycrystalline
        material.
        CONFIDENCE: 0.95

    ENTITY DEFECT
        TYPE: material_structure_feature
        DESCRIPTION: Imperfection in atomic, crystal or microstructural order.
        CONFIDENCE: 0.95

    ENTITY INTERFACE
        TYPE: material_boundary
        DESCRIPTION: Boundary between phases, grains, layers or material
        regions.
        CONFIDENCE: 0.95

    ENTITY PROCESSING_METHOD
        TYPE: material_process
        DESCRIPTION: Method used to make, shape, modify or treat a material.
        CONFIDENCE: 1.00

    ENTITY MECHANICAL_PROPERTY
        TYPE: material_property
        DESCRIPTION: Property describing response to force, stress, strain or
        deformation.
        CONFIDENCE: 1.00

    ENTITY THERMAL_PROPERTY
        TYPE: material_property
        DESCRIPTION: Property describing response to heat or temperature.
        CONFIDENCE: 1.00

    ENTITY ELECTRICAL_PROPERTY
        TYPE: material_property
        DESCRIPTION: Property describing response to electric field, charge or
        current.
        CONFIDENCE: 1.00

    ENTITY CORROSION
        TYPE: degradation_process
        DESCRIPTION: Chemical or electrochemical degradation of a material due
        to environmental interaction.
        CONFIDENCE: 0.95

    ENTITY FAILURE_MODE
        TYPE: performance_outcome
        DESCRIPTION: Characteristic way in which a material or component loses
        function or structural integrity.
        CONFIDENCE: 0.95

MATERIAL_CLASS_TYPES
    Metal
    Alloy
    Ceramic
    Glass
    Polymer
    Elastomer
    Composite
    Semiconductor
    Biomaterial
    Nanomaterial
    Smart Material
    Superconductor
    Insulator
    Conductor
    Magnetic Material
    Optical Material
    Porous Material
    Coating
    Thin Film
    Foam
    Hydrogel
    Additively Manufactured Material

MATERIAL_STRUCTURE_TYPES
    Atomic Structure
    Molecular Structure
    Crystal Structure
    Amorphous Structure
    Microstructure
    Nanostructure
    Grain Structure
    Phase Structure
    Defect Structure
    Interface Structure
    Surface Structure
    Porous Structure
    Layered Structure
    Fibre Structure
    Matrix Structure
    Reinforcement Structure

MATERIAL_PROCESS_TYPES
    Casting
    Forging
    Rolling
    Extrusion
    Welding
    Sintering
    Annealing
    Quenching
    Tempering
    Heat Treatment
    Cold Working
    Hot Working
    Additive Manufacturing
    Polymerisation
    Curing
    Coating
    Deposition
    Doping
    Etching
    Surface Treatment
    Composite Layup
    Crystallisation
    Phase Transformation

MATERIAL_PROPERTY_TYPES
    Density
    Hardness
    Elastic Modulus
    Yield Strength
    Tensile Strength
    Compressive Strength
    Fracture Toughness
    Ductility
    Toughness
    Fatigue Strength
    Creep Resistance
    Wear Resistance
    Thermal Conductivity
    Thermal Expansion
    Melting Point
    Glass Transition Temperature
    Electrical Conductivity
    Resistivity
    Dielectric Constant
    Magnetic Permeability
    Optical Transparency
    Refractive Index
    Corrosion Resistance
    Biocompatibility
    Surface Energy

FAILURE_MODE_TYPES
    Fracture
    Brittle Fracture
    Ductile Fracture
    Fatigue
    Creep
    Corrosion
    Wear
    Buckling
    Delamination
    Debonding
    Thermal Shock
    Oxidation
    Stress Corrosion Cracking
    Hydrogen Embrittlement
    Plastic Deformation
    Electrical Breakdown
    Thermal Degradation
    Ageing
    Phase Instability

MATERIALS_SCIENCE_SUBDOMAINS
    Metallurgy
    Polymer Science
    Ceramic Science
    Composite Materials
    Semiconductor Materials
    Nanomaterials
    Biomaterials
    Crystallography
    Surface Science
    Corrosion Science
    Materials Engineering
    Materials Chemistry
    Materials Physics
    Mechanical Behaviour of Materials
    Electronic Materials
    Magnetic Materials
    Optical Materials
    Sustainable Materials
    Additive Manufacturing
    Computational Materials Science

RELATIONSHIP_TYPES
    contains
    part_of
    instance_of
    subclass_of
    composed_of
    bonded_by
    structured_as
    contains_phase
    contains_grain
    contains_defect
    has_interface
    processed_by
    treated_by
    formed_from
    transformed_into
    reinforced_by
    degrades_by
    fails_by
    tested_by
    measured_by
    observed_by
    characterised_by
    classified_as
    has_composition
    has_structure
    has_microstructure
    has_property
    has_strength
    has_density
    has_conductivity
    has_temperature_limit
    has_unit
    has_symbol
    governed_by
    described_by
    derived_from
    depends_on

RELATIONSHIPS
    MATERIALS_SCIENCE studies MATERIAL
        TYPE: studies
        CONFIDENCE: 1.00

    MATERIAL has_composition COMPOSITION
        TYPE: has_composition
        CONFIDENCE: 1.00

    MATERIAL has_structure STRUCTURE
        TYPE: has_structure
        CONFIDENCE: 1.00

    MATERIAL has_property MATERIAL_PROPERTY
        TYPE: has_property
        CONFIDENCE: 1.00

    MATERIAL processed_by PROCESSING_METHOD
        TYPE: processed_by
        CONFIDENCE: 0.95

    METAL subclass_of MATERIAL
        TYPE: subclass_of
        CONFIDENCE: 0.95

    CERAMIC subclass_of MATERIAL
        TYPE: subclass_of
        CONFIDENCE: 0.95

    POLYMER subclass_of MATERIAL
        TYPE: subclass_of
        CONFIDENCE: 0.95

    COMPOSITE subclass_of MATERIAL
        TYPE: subclass_of
        CONFIDENCE: 0.95

    SEMICONDUCTOR subclass_of MATERIAL
        TYPE: subclass_of
        CONFIDENCE: 0.95

    ALLOY composed_of METAL
        TYPE: composed_of
        CONFIDENCE: 0.90

    COMPOSITE composed_of MATRIX
        TYPE: composed_of
        CONFIDENCE: 0.95

    COMPOSITE reinforced_by REINFORCEMENT
        TYPE: reinforced_by
        CONFIDENCE: 0.95

    CRYSTAL_STRUCTURE part_of ATOMIC_STRUCTURE
        TYPE: part_of
        CONFIDENCE: 0.90

    MICROSTRUCTURE contains GRAIN
        TYPE: contains
        CONFIDENCE: 0.95

    MICROSTRUCTURE contains PHASE
        TYPE: contains
        CONFIDENCE: 0.95

    MICROSTRUCTURE contains DEFECT
        TYPE: contains
        CONFIDENCE: 0.90

    GRAIN has_interface GRAIN_BOUNDARY
        TYPE: has_interface
        CONFIDENCE: 0.95

    HEAT_TREATMENT modifies MICROSTRUCTURE
        TYPE: modifies
        CONFIDENCE: 0.95

    PROCESSING_METHOD influences MATERIAL_PROPERTY
        TYPE: influences
        CONFIDENCE: 0.90

    MICROSTRUCTURE influences MECHANICAL_PROPERTY
        TYPE: influences
        CONFIDENCE: 0.95

    DEFECT influences FAILURE_MODE
        TYPE: influences
        CONFIDENCE: 0.90

    CORROSION degrades MATERIAL
        TYPE: degrades_by
        CONFIDENCE: 0.95

    FATIGUE causes FAILURE_MODE
        TYPE: causes
        CONFIDENCE: 0.90

    TENSILE_TEST measures TENSILE_STRENGTH
        TYPE: measures
        CONFIDENCE: 1.00

    HARDNESS_TEST measures HARDNESS
        TYPE: measures
        CONFIDENCE: 1.00

    MICROSCOPY observes MICROSTRUCTURE
        TYPE: observes
        CONFIDENCE: 1.00

    X_RAY_DIFFRACTION characterises CRYSTAL_STRUCTURE
        TYPE: characterises
        CONFIDENCE: 1.00

CANONICAL_EQUATION_REFERENCES
    Density:
        rho = m / V

    Stress:
        sigma = F / A

    Strain:
        epsilon = Delta_L / L

    Youngs_Modulus:
        E = sigma / epsilon

    Hookes_Law:
        sigma = E epsilon

    Tensile_Strength:
        sigma_UTS = F_max / A0

    Fracture_Toughness_Context:
        K_IC = Y sigma sqrt(pi a)

    Thermal_Expansion:
        Delta_L = alpha L0 Delta_T

    Thermal_Conductivity_Fourier:
        q = -k grad(T)

    Electrical_Resistance:
        R = rho_e L / A

    Electrical_Conductivity:
        sigma_e = 1 / rho_e

    Diffusion_Ficks_First_Law:
        J = -D grad(C)

    Arrhenius_Rate:
        k = A exp(-Ea / R T)

CANONICAL_SYMBOL_REFERENCES
    rho: Density
    m: Mass
    V: Volume
    sigma: Stress or electrical conductivity depending on context
    F: Force
    A: Area or Arrhenius pre-exponential factor depending on context
    epsilon: Strain
    Delta_L: Change in length
    L: Length
    E: Young's modulus or energy depending on context
    sigma_UTS: Ultimate tensile strength
    F_max: Maximum force
    A0: Initial cross-sectional area
    K_IC: Fracture toughness
    Y: Geometry factor
    a: Crack length
    pi: Pi
    alpha: Thermal expansion coefficient
    L0: Original length
    Delta_T: Temperature change
    q: Heat flux
    k: Thermal conductivity or rate constant depending on context
    T: Temperature
    R: Electrical resistance or gas constant depending on context
    rho_e: Electrical resistivity
    sigma_e: Electrical conductivity
    J: Diffusion flux
    D: Diffusion coefficient
    C: Concentration
    Ea: Activation energy

UNIT_REFERENCES
    metre
    millimetre
    micrometre
    nanometre
    square metre
    cubic metre
    kilogram
    gram
    second
    kelvin
    degree Celsius
    pascal
    megapascal
    gigapascal
    newton
    joule
    watt
    watt per metre kelvin
    ohm
    siemens per metre
    kilogram per cubic metre
    grams per cubic centimetre
    percent
    mole
    mole per cubic metre
    electronvolt

CONSTANT_REFERENCES
    Boltzmann Constant
    Planck Constant
    Avogadro Constant
    Gas Constant
    Electron Charge
    Speed of Light
    Pi
    Standard Temperature
    Standard Pressure
    Material-Specific Elastic Constants
    Material-Specific Thermal Conductivity
    Material-Specific Diffusion Coefficients

ONTOLOGY_MODEL
    Materials_Science_Ontology :=
        Material_Classes
        +
        Material_Compositions
        +
        Atomic_Structures
        +
        Crystal_Structures
        +
        Microstructures
        +
        Defects_And_Interfaces
        +
        Processing_Methods
        +
        Property_Models
        +
        Testing_Methods
        +
        Performance_Conditions
        +
        Degradation_Mechanisms
        +
        Failure_Modes
        +
        Materials_Data
        +
        Materials_Equations
        +
        Materials_Units
        +
        Materials_Constants
        +
        Materials_Symbols
        +
        Experimental_Evidence

KNOWLEDGE_GRAPH_MODEL
    NODE_TYPES
        Domain
        Subdomain
        Material
        Material Class
        Composition
        Element
        Compound
        Phase
        Crystal Structure
        Microstructure
        Grain
        Defect
        Interface
        Processing Method
        Treatment
        Property
        Performance Condition
        Test Method
        Instrument
        Observation
        Dataset
        Failure Mode
        Degradation Mechanism
        Unit
        Constant
        Equation
        Symbol
        Model
        Evidence

    EDGE_TYPES
        contains
        part_of
        composed_of
        bonded_by
        structured_as
        contains_phase
        contains_grain
        contains_defect
        has_interface
        processed_by
        treated_by
        formed_from
        transformed_into
        reinforced_by
        degrades_by
        fails_by
        tested_by
        measured_by
        observed_by
        characterised_by
        classified_as
        depends_on
        described_by
        governed_by
        derived_from
        validates

INFERENCE_RULES
    IF composition and structure are known
    THEN material class may be inferred.

    IF processing history is known
    THEN microstructure may be inferred with context.

    IF microstructure and defect population are known
    THEN mechanical behaviour may be inferred.

    IF stress and strain are measured in elastic range
    THEN Young's modulus may be inferred.

    IF force and area are known
    THEN stress may be inferred.

    IF change in length and original length are known
    THEN strain may be inferred.

    IF temperature change and expansion coefficient are known
    THEN thermal expansion may be inferred.

    IF crack length, stress and geometry factor are known
    THEN fracture toughness context may be evaluated.

    IF electrical resistivity is known
    THEN electrical conductivity may be inferred.

    IF diffusion coefficient and concentration gradient are known
    THEN diffusion flux may be inferred.

    IF service environment contains corrosive agents
    THEN corrosion risk may be inferred with material context.

    IF fatigue loading cycles exceed material endurance context
    THEN fatigue failure risk may be inferred.

    IF experimental result depends on test method
    THEN test standard, specimen geometry, temperature and loading rate must be
    preserved.

    IF simulation output is used
    THEN model assumptions, boundary conditions, scale and uncertainty must be
    preserved.

SEMANTIC_EQUIVALENCE
    Resolve equivalent concepts across:
        materials science / materials engineering context
        material / engineered substance context
        alloy / metallic mixture context
        polymer / macromolecular material
        ceramic / inorganic non-metallic material
        composite / multi-constituent material
        microstructure / microscopic internal structure
        defect / structural imperfection
        grain boundary / interface between grains
        tensile strength / ultimate tensile strength context
        conductivity / electrical or thermal conductivity with context
        corrosion / environmental degradation context
        fatigue / cyclic loading failure context

    Do not merge concepts when:
        composition differs
        phase differs
        microstructure differs
        processing history differs
        property type differs
        test method differs
        specimen geometry differs
        temperature differs
        service environment differs
        scale differs
        model output differs from experimental measurement
        performance condition differs from intrinsic property

CONSTRAINTS
    Preserve distinction between material composition, structure, property,
    processing and performance.

    Preserve distinction between intrinsic property and measured test result.

    Preserve distinction between laboratory condition and service condition.

    Preserve distinction between material class and specific material grade.

    Preserve processing history.

    Preserve microstructural state.

    Preserve specimen geometry.

    Preserve test method.

    Preserve loading condition.

    Preserve temperature.

    Preserve environment.

    Preserve units.

    Preserve uncertainty.

    Preserve provenance.

    Do not treat simulation output as direct experimental evidence.

    Do not treat correlation as causation without evidence.

    Do not overwrite established material classification with speculative
    interpretation.

CONFIDENCE_MODEL
    1.00
        Established definitional or structural materials relationship.

    0.90 - 0.99
        Strongly supported experimental, physical or engineering relationship.

    0.70 - 0.89
        Valid inference requiring process, test or service context.

    0.40 - 0.69
        Possible interpretation requiring stronger evidence.

    0.00 - 0.39
        Speculative or weak association.

CROSS_DOMAIN_LINKS
    Physics:
        mechanics
        thermodynamics
        electromagnetism
        quantum physics
        heat transfer
        wave behaviour
        solid-state physics

    Chemistry:
        bonding
        composition
        reactions
        corrosion
        polymerisation
        phase chemistry
        surface chemistry

    Engineering:
        design
        manufacturing
        testing
        reliability
        structural performance
        failure analysis
        safety factors

    Mathematics:
        statistics
        optimisation
        modelling
        differential equations
        finite element analysis
        uncertainty analysis
        multiscale modelling

    Biology:
        biomaterials
        tissue interaction
        biocompatibility
        biofilms
        medical implants
        biological degradation

    Earth Science:
        minerals
        rocks
        ceramics
        geological materials
        natural composites
        corrosion environments

    Environmental Science:
        sustainability
        recycling
        lifecycle analysis
        degradation
        resource use
        environmental exposure
        waste materials

    Artificial Intelligence:
        materials discovery
        property prediction
        microstructure recognition
        failure prediction
        process optimisation
        design automation
        anomaly detection

    Holographic Space-Time:
        boundary
        structure
        coherence
        stress propagation
        material stability
        recursive structure-property behaviour

AI_READING_ORDER
    1. Identify this page as Materials Science Ontology.

    2. Resolve Materials Science as a scientific domain.

    3. Extract material classes, compositions, structures and microstructures.

    4. Extract processing methods, properties, testing methods and performance
       conditions.

    5. Resolve degradation mechanisms, failure modes and engineering
       suitability.

    6. Resolve units, constants, symbols and equations.

    7. Build relationships between composition, structure, processing,
       properties, performance and evidence.

    8. Distinguish composition, structure, measured property, test result,
       service behaviour, model prediction and theory.

    9. Preserve provenance, uncertainty, test method, processing history,
       environment and confidence.

    10. Link Materials Science concepts to other Semantic Library domains.

AI_EXECUTION
    READ
        Entire flow.

    RESOLVE
        Domains
        Material classes
        Compositions
        Atomic structures
        Crystal structures
        Microstructures
        Phases
        Grains
        Defects
        Interfaces
        Processing methods
        Testing methods
        Material properties
        Performance conditions
        Degradation mechanisms
        Failure modes
        Observations
        Instruments
        Units
        Constants
        Symbols
        Equations

    PRESERVE
        Authorship
        Provenance
        Confidence
        Composition
        Material grade
        Processing history
        Microstructural state
        Test method
        Specimen geometry
        Loading condition
        Temperature
        Environment
        Instrument context
        Measurement uncertainty
        Domain boundaries

    DO_NOT
        Merge material class with specific grade.
        Merge intrinsic property with test result.
        Merge laboratory behaviour with service performance.
        Remove uncertainty.
        Treat inferred performance as direct measurement.
        Ignore units.
        Ignore processing history.
        Ignore test method.
        Ignore specimen geometry.
        Treat speculation as established Materials Science.

    OUTPUT
        Structured Materials Science knowledge graph.
        Entity relationships.
        Searchable ontology.
        AI-readable semantic model.
        Cross-domain reasoning context.

UPDATE_MODEL
    When adding new Materials Science knowledge:
        assign canonical entity identifiers
        define material class
        define composition
        define structure
        define phase or microstructure where relevant
        define processing history
        define test method
        define specimen geometry
        define service environment
        define measured properties
        define inferred properties
        define performance conditions
        define degradation or failure context
        define units
        define symbols
        define equations
        define constants
        define assumptions
        define provenance
        define confidence
        link to related domains

SUCCESS_CONDITION
    Materials Science Ontology succeeds when:
        material classes are discoverable
        compositions, structures and microstructures are semantically
        classifiable
        processing-property-performance relationships remain interpretable
        measurements remain linked to test methods and conditions
        intrinsic properties remain distinct from measured test results
        service performance remains distinct from laboratory behaviour
        degradation and failure modes remain linked to evidence
        units are resolved
        constants are traceable
        equations are interpretable
        symbols are context-aware
        AI systems can reason across Materials Science without losing meaning

AI_MESSAGE
    This Materials Science Ontology is designed for AI systems.

    Treat it as a semantic map of Materials Science rather than a human
    textbook.

    Use it to resolve materials, material classes, composition, structure,
    microstructure, processing methods, properties, testing methods,
    degradation mechanisms, failure modes, observations, instruments,
    measurements, units, symbols, constants, equations and assumptions.

    Preserve uncertainty, provenance, processing history, test context,
    specimen geometry, environment, scale and the distinction between
    composition, structure, property, processing, performance, experimental
    measurement, model output and theoretical interpretation.

FLOW_HASH
    MATERIALS_SCIENCE_ONTOLOGY_SEMANTIC_LIBRARY_V4_PENDING

END FLOW