# Materials Science - Processes Backlog

## Overview

This backlog contains Phase 2 processes for the Materials Science specialization. These processes cover the complete lifecycle of material development, from fundamental research and characterization through computational discovery, processing optimization, and quality assurance.

## Process Categories

### 1. Materials Characterization & Analysis

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-001 | XRD Analysis & Phase Identification | Conduct X-ray diffraction analysis for crystal structure determination, phase identification, and crystallographic parameter refinement using Rietveld methods | High | Medium |
| MS-002 | Electron Microscopy Characterization | Perform SEM/TEM analysis including imaging, EDS/WDS elemental mapping, EBSD orientation analysis, and microstructural quantification | High | High |
| MS-003 | Spectroscopic Analysis Suite | Execute spectroscopy workflows (XPS, FTIR, Raman, NMR) for chemical bonding, surface composition, and molecular structure analysis | High | Medium |
| MS-004 | Thermal Analysis Protocol | Conduct thermal characterization (DSC, TGA, DTA, TMA, DMA) for phase transitions, decomposition, and thermomechanical property determination | Medium | Medium |

### 2. Mechanical Testing & Evaluation

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-005 | Mechanical Properties Testing | Perform comprehensive mechanical testing including tensile, compression, hardness, impact (Charpy/Izod), and bend testing per ASTM/ISO standards | High | Medium |
| MS-006 | Fatigue & Fracture Analysis | Conduct fatigue testing (S-N curves, crack propagation), fracture toughness measurement (KIC, CTOD), and fractographic examination | High | High |
| MS-007 | Creep & High-Temperature Testing | Execute creep and stress-rupture testing, elevated temperature tensile testing, and thermal fatigue evaluation | Medium | High |

### 3. Computational Materials Science

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-008 | DFT Electronic Structure Calculation | Perform density functional theory calculations for electronic structure, band gaps, formation energies, and elastic constants using VASP/Quantum ESPRESSO | High | High |
| MS-009 | Molecular Dynamics Simulation | Execute MD simulations for thermal transport, mechanical deformation, diffusion, and phase transformation kinetics using LAMMPS | High | High |
| MS-010 | High-Throughput Computational Screening | Implement automated screening workflows using Materials Project/AFLOW databases with property filters and stability criteria | High | High |
| MS-011 | CALPHAD Phase Diagram Modeling | Develop and validate thermodynamic databases, calculate phase diagrams, and predict equilibrium phases using Thermo-Calc/FactSage | Medium | High |
| MS-012 | ML Materials Property Prediction | Build and deploy machine learning models for property prediction using descriptors, graph neural networks (CGCNN, MEGNet), or SISSO | Medium | High |

### 4. Processing & Manufacturing

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-013 | Heat Treatment Optimization | Design and optimize heat treatment schedules (annealing, quenching, tempering, aging) based on TTT/CCT diagrams and target microstructures | High | Medium |
| MS-014 | Powder Processing & Sintering | Develop powder metallurgy processes including powder characterization, compaction optimization, and sintering parameter development | Medium | High |
| MS-015 | Thin Film Deposition Protocol | Establish thin film deposition processes (PVD, CVD, ALD) with thickness control, composition optimization, and adhesion testing | Medium | High |
| MS-016 | Additive Manufacturing Qualification | Qualify AM processes (SLM, EBM, DED) including parameter optimization, defect minimization, and mechanical property validation | Medium | High |

### 5. Failure Analysis & Quality Assurance

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-017 | Root Cause Failure Analysis | Conduct systematic failure analysis including visual examination, fractography, metallography, chemical analysis, and root cause determination | High | High |
| MS-018 | Corrosion & Degradation Assessment | Evaluate corrosion mechanisms (electrochemical testing, salt spray, immersion), degradation pathways, and protection strategies | High | Medium |
| MS-019 | Non-Destructive Testing Protocol | Implement NDT methods (ultrasonic, radiographic, magnetic particle, dye penetrant, eddy current) for defect detection and quality verification | High | Medium |
| MS-020 | Materials Specification Development | Create comprehensive material specifications including composition limits, property requirements, test methods, and acceptance criteria | Medium | Medium |

### 6. Materials Selection & Design

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-021 | Systematic Materials Selection | Apply Ashby methodology using property charts, performance indices, and multi-objective optimization for engineering material selection | High | Medium |
| MS-022 | Composite Design & Optimization | Design fiber-reinforced composites including layup optimization, stacking sequence selection, and failure criteria application | Medium | High |

### 7. Data Management & Informatics

| ID | Process Name | Description | Priority | Complexity |
|----|--------------|-------------|----------|------------|
| MS-023 | Materials Database Curation | Establish FAIR-compliant materials data management including metadata standards, provenance tracking, and database integration | Medium | Medium |
| MS-024 | Uncertainty Quantification Protocol | Implement uncertainty analysis for experimental measurements and computational predictions including error propagation and sensitivity analysis | Medium | High |

## Summary Statistics

- **Total Processes**: 24
- **High Priority**: 13
- **Medium Priority**: 11
- **High Complexity**: 12
- **Medium Complexity**: 12

## Category Distribution

| Category | Count |
|----------|-------|
| Materials Characterization & Analysis | 4 |
| Mechanical Testing & Evaluation | 3 |
| Computational Materials Science | 5 |
| Processing & Manufacturing | 4 |
| Failure Analysis & Quality Assurance | 4 |
| Materials Selection & Design | 2 |
| Data Management & Informatics | 2 |

## Implementation Notes

### Dependencies

- MS-008, MS-009, MS-010 require HPC infrastructure and licensed software (VASP, LAMMPS)
- MS-011 requires CALPHAD software licenses (Thermo-Calc, FactSage)
- MS-012 depends on curated training data from MS-023
- MS-017 integrates MS-001, MS-002, MS-003, MS-005
- MS-021 may utilize computational screening results from MS-010

### Integration Points

- Characterization processes (MS-001 through MS-004) feed into computational validation
- Computational predictions (MS-008 through MS-012) guide experimental design
- Failure analysis (MS-017) informs materials selection (MS-021) and specification (MS-020)
- Quality processes (MS-019, MS-020) integrate with manufacturing (MS-013 through MS-016)

### External Tool Dependencies

| Process ID | External Tools/Software |
|------------|------------------------|
| MS-001 | GSAS-II, HighScore, ICDD PDF database |
| MS-008 | VASP, Quantum ESPRESSO, pymatgen |
| MS-009 | LAMMPS, ASE, ovito |
| MS-010 | Materials Project API, AFLOW, atomate |
| MS-011 | Thermo-Calc, FactSage, DICTRA |
| MS-012 | matminer, CGCNN, scikit-learn |
| MS-021 | Granta Selector, CES EduPack |
