Welcome to materforge’s documentation!

materforge is a Python library for materials science and thermophysical property calculations.

Installation

Install materforge using pip:

pip install materforge

Or install from source:

git clone https://github.com/rahildoshi97/materforge.git
cd materforge
pip install -e .

Quick Start

Here’s a simple example to get you started:

import sympy as sp
from materforge import create_material

# Create a material with symbolic temperature
T = sp.Symbol('T')
material = create_material('steel.yaml', T)

# Evaluate properties at a specific temperature
properties = material.evaluate_properties_at_temperature(500.0)
print(properties)

Contents:

• Getting Started with materforge
  • Prerequisites
  • Installation
  • Basic Concepts
  • Your First Material
  • Next Steps
• Creating Your First Material Simulation
  • Prerequisites
  • Overview
  • Step 1: Set Up the Simulation Framework
  • Step 2: Create Material with Temperature Dependencies
  • Step 3: Set Up the Heat Equation
  • Step 4: Generate the Simulation Code
  • Step 5: Energy-Temperature Conversion
  • Complete Example
  • Next Steps
• Defining Custom Material Properties
  • YAML Configuration Options
    • 1. Constant Value
    • 2. Step Functions
    • 3. Importing from External Files
    • 4. Tabular Data for Interpolation
    • 5. Piecewise Equations
    • 6. Computed Properties
  • Dependency Definition Formats
    • Explicit Lists
    • Tuple Formats
    • Temperature References
  • Advanced Features
    • Regression Configuration
    • Boundary Behavior
  • Creating a Complete Material Definition
  • Best Practices
  • Validation and Error Handling
  • Important Notes
• Converting Between Energy Density and Temperature
  • Why Energy-Temperature Conversion Matters
  • Current Implementation Status
  • Basic Temperature-Energy Conversion (Current)
    • 1. Create Material with Energy Density
    • 2. Temperature to Energy Conversion
    • 3. Energy to Temperature Conversion
• Use inverse function
• Design Philosophy of MaterForge
  • Core Principles
  • Layered Architecture
    • 1. User Interface Layer (YAML Configuration)
    • 2. Parsing Layer (Python)
    • 3. Symbolic Representation Layer (SymPy)
    • 4. Algorithms Layer (Python)
    • 5. Visualization Layer (Python)
    • 6. Core Layer (Python)
  • Modular Architecture
    • Core Module (materforge.core)
    • Parsing Module (materforge.parsing)
    • Algorithms Module (materforge.algorithms)
    • Visualization Module (materforge.visualization)
    • Data Module (materforge.data)
  • Why YAML?
  • Integration with pystencils
  • Property Type System
    • Six Property Types
    • Automatic Type Detection
  • Dependency Resolution
    • Dependency Analysis
    • Processing Order
  • Extensibility Framework
    • Abstract Interfaces
    • Plugin Architecture
  • Error Handling Philosophy
    • Validation at Every Layer
    • Contextual Error Messages
  • Performance Optimization
    • Symbolic Computation
    • Memory Efficiency
    • Caching and Optimization
  • Testing and Validation
    • Unit Testing
    • Integration Testing
    • Validation Testing
  • Scientific Computing Integration
    • SymPy Integration
    • NumPy Integration
    • Matplotlib Integration
• Material Properties in MaterForge
  • Conceptual Framework
  • Internal Representation
    • Material Class
    • Property Processing Pipeline
  • Property Definition Methods
    • 2. Step Functions
    • 3. File Import Properties
    • 4. Tabular Data
    • 5. Piecewise Equations
    • 6. Computed Properties
  • Temperature Processing
    • Temperature Definition Formats
    • Temperature Resolution
  • Interpolation and Evaluation
    • Piecewise Functions
    • Boundary Handling
  • Dependency Management
    • Dependency Detection
    • Circular Dependency Prevention
    • Processing Order
  • Validation and Quality Assurance
    • Data Validation
    • Error Handling
  • Integration with Simulations
    • SymPy Integration
    • Simulation Framework Integration
  • Best Practices
    • Property Definition
    • Performance Optimization
    • Maintainability
• YAML Schema for Material Definition
  • Schema Overview
    • A valid pure metal definition must include:
    • A valid alloy definition must include:
  • 🔧 Property Definition Types
    • 1. Constant Value
    • 2. Step Function
    • 3. File Import
    • 4. Tabular Data
    • 5. Piecewise Equation
    • 6. Computed Property
  • 📊 Dependency Definition Formats
    • Explicit Lists
    • Tuple Formats
    • Temperature References
  • 🎯 Advanced Features
    • Regression Configuration
    • Boundary Behavior
    • Dependency Resolution
  • 📈 Visualization
  • 🧪 Energy-Temperature Inversion
  • 🔍 Supported Properties
  • Validation Rules
  • Important Notes
• API Reference
  • Core Module
    • Material Class
    • Chemical Elements
  • Algorithms Module
  • Parsing Module
  • Visualization Module
• Material API Reference
  • Core Classes
    • Material
    • ChemicalElement
  • Main API Functions
    • create_material
    • get_supported_properties
    • validate_yaml_file
  • Utility Functions
    • Element Interpolation Functions
  • Symbol Registry
    • SymbolRegistry
  • Error Classes
    • Material Errors
    • Property Errors
  • Type Definitions
    • PropertyType Enum

Indices and tables

• Index

• Module Index

• Search Page