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ICME Workflows:

The Systems Design Approach to Materials

The materials systems design approach first proposed by Olson is a powerful tool for solving a wide array of materials science related challenges [1]. This approach begins with a set of material property objectives, such as yield strength, toughness, corrosion resistance, and cost, and uses these objectives to create a material system chart. Such a chart, like the generalized one shown below, is a first-order representation of the full material system, and it helps to explicitly depict the microstructural subsystems that are controlling the properties of interest and the substages of processing that are governing the evolution of each subsystem.

Material-system-chart-Thermo-Calc-Software

A generalized material system chart. Such a chart helps to explicitly depict the microstructural subsystems that are controlling the properties of interest and the substages of processing that are governing the evolution of each subsystem.

In the above generalization, each connecting line is a known relationship of how one box influences another. Many times, these relationships can be described through models that exist in the literature, or simply, things that can be calculated with CALPHAD based tools. For example, one parameter that can influence yield strength is the precipitate size distribution. This can be calculated with Thermo-Calc given the chemistry and heat treatment schedule.

With a mapped-out systems chart in place, it is then possible to prioritize the property-structure-processing links and form an inductive goal to achieve the desired properties. This approach allows materials scientists to design materials with optimal properties, while also taking into consideration production costs and environmental impacts. This approach will be material specific, and requires a solid understanding and literature review of the material science concepts that govern its behavior. Once mapped out, however, it will be an invaluable tool to help to identify the best microstructural design, processing parameters, and property targets for a given application.

Many of the connections in the systems design chart above have a corresponding model or calculation that relates them to each other. Such models and linkages can be implemented easily using either the Property Model Calculator or the TC-Python SDK.

thumbnail-user-defined-models-blog-post

An example of how users can develop and implement their own models using the TC-Python Property Model Framework is described in a blog post:

Read the blog post: Flexible Model Development with the TC-Python Property Model Framework

Learn More about the Systems Design Approach to Materials

No matter what your level of familiarity with ICME workflows or systems design, our team can help you explore how these kinds of tools can help solve materials challenges in your organization. Contact us for a free consultation.

About the Property Model Calculator in Thermo-Calc

The Property Model Calculator within Thermo-Calc offers predictive models for material properties based on their chemical composition and temperature and is included with all Thermo-Calc installations. This article is part of a series of blog posts that take a deeper dive into the different calculation types included in the Property Model Calculator and how they can be applied to materials design, process optimization, and ICME frameworks.

References

  1. Olson, G. B. (1997). Computational Design of Hierarchically Structured Materials. Science, 277(5330), 1237–1242. http://www.jstor.org/stable/2892481

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