Computational materials design

Improving materials design and development using powerful software and validated methodology.

QuesTek combines the most advanced computational materials software available with our proprietary modelling framework for fast and reliable development of innovative materials - from idea to full-scale production. This framework integrates the Materials by DesignTM approach with the Accelerated Insertion of Materials (AIM) methodology. Using science-based mechanistic models, this proven methodology ensures quality and consistency throughout the design process.

“…a design approach making maximum use of science-based mechanistic models and the sequential, deeper evaluation of a small number of prototypes can not only reduce the time and cost of initial development but produce designed materials with more predictable behaviour. This approach can also reduce the time and cost of process scale-up and material qualification.”
G.B. Olson, Science (1997) G.B. Olson, Science (1997)

The Materials by DesignTM approach ensures performance objectives by viewing materials as a system of interconnected subsystems that address specific user-defined performance objectives and property targets. For QuesTek designs, these sub-systems and the corresponding links between processing-structure-properties-performance are organized in a Systems Design Chart. The properties are determined by the material microstructure that in turn is defined by material chemistry and processing path, per Cohen’s reciprocity theory. Each sub-system is modelled in an ICME approach (Integrated Computational Materials Engineering) where models and simulations of relevant time- and length-scales are integrated to accurately describe each link. Using proprietary models and materials genome databases in combination with commercially available computational tools, QuesTek evaluates key trade-offs and designs the material chemistry and processing path to fulfill the performance objectives.


 

Cohen’s reciprocity

Cohen’s reciprocity

The three-link-chain of materials science and engineering visualizing the cause-and-effect approach of classical scientific discovery and the contrasting performance-driven engineering design.

Systems design chart (Ferrium S53)

Systems design chart (Ferrium S53)

A system-specific embodiment of Cohen’s reciprocity showcasing the interconnected material sub-systems and the processing-structure-properties-performance links that enable performance-driven design and optimization

Ensure quality at scale by incorporating process variations and qualification requirements in the initial design. QuesTek minimizes up-front development risks and ensure high-quality materials for industrial scale production via the AIM methodology. Combined with a stage-gate development process, QuesTek’s framework ensures that designs are reliable and robust, from conceptual development to industrial scale-up and component qualification, while maintaining rapid development and flexible project structure.

Accelerated Insertion of Materials (AIM)

Accelerated Insertion of Materials (AIM)

Using the AIM methodology, probabilistic forecasting of manufacturing variation guarantees minimum properties for accelerated qualification.

Stage-gate design and development process

Stage-gate design and development process

Ensures fast and flexible design projects with reduced risks and cost by periodic stage-gate reviews and application focus from design initiation.