Mechanistic Models

We utilize physics-based mechanistic models in our Materials by Design® technology that build upon fundamental material parameters and define relationships between a material’s Process-Structure and its Structure-Property.  Developing and understanding these mechanistic models helps us better understand and assess the various interactions between chemistry, processing, microstructure and properties illustrated in System Design Charts.  We use and refine proprietary mechanistic models, as well as models or conceptual frameworks available in the open literature.  Working either independently or with various project team members, our team uses proprietary mechanistic models as well as commercially-available models.

Material Microstructure and Property Modeling

We use mechanistic models that address fundamental material properties such as:

• Coefficient of Thermal Expansion (CTE)

• Ductile-to-Brittle Transition Temperature (DBTT)

• Electrical Conductivity

• Fatigue Strength

• General Corrosion Resistance

• Stress Corrosion Cracking (SCC) Resistance

• Martensite Start (Ms) Temperature

• Tensile Strength

• Thermal Stability

• Thermal Conductivity 

• Fracture Toughness\Creep

• Solidification Segregation

• and others

Applying Models to Processing

We use mechanistic models to evaluate and optimize material processing as well as material compositions, such as:

• Solidification/Casting
• Homogenization and Annealing
• Forging
• Heat Treatment including Carburization
• Cold Working
• and others 

Typical Model Attributes

The mechanistic models that we use typically:

• Describe detailed spatial and time-dependent hierarchies
• Incorporate multi-component thermodynamics and physical kinetics models as their underlying basis
• Are designed to allow for substantial variation over a wide range of scales and compositions, in order to drive robust material designs that consider a spectrum of usage factors
• Can generally be extended to new material systems or new modeling goals with minimal effort