AIChE Journal Highlight: A High-Throughput Approach to Designing Materials | AIChE

You are here

AIChE Journal Highlight: A High-Throughput Approach to Designing Materials

Designing new multicomponent materials, such as corrosion-resistant steels for advanced reactors or turbines, catalytic materials with enhanced selectivity, or new alloys for hydrogen separation, can be a difficult endeavor. The properties of such materials often depend on composition, structure, and the environmental conditions in which they operate. Mapping properties across multiple continuous variables is a complex, combinatorial problem, which makes the development of new materials for engineering applications extremely challenging and expensive. Engineers and scientists have traditionally created maps of material properties across composition, structure, and environmental conditions by making many samples, each of a different composition and/or structure, and then measuring a specific material property of each sample under relevant conditions. Alternatively, simulations of the behavior of these materials have followed a similar approach of modeling one specific composition at a time.

In the November AIChE Journal Perspective article, “High-Throughput Methods Using Composition and Structure Spread Libraries,” John Kitchin and Andrew Gellman of Carnegie Mellon Univ. discuss a method to more efficiently map material properties across composition, structure, and environmental conditions. Their method...

Would you like to access the complete CEP Article?

No problem. You just have to complete the following steps.

You have completed 0 of 2 steps.

  1. Log in

    You must be logged in to view this content. Log in now.

  2. AIChE Membership

    You must be an AIChE member to view this article. Join now.

Copyright Permissions 

Would you like to reuse content from CEP Magazine? It’s easy to request permission to reuse content. Simply click here to connect instantly to licensing services, where you can choose from a list of options regarding how you would like to reuse the desired content and complete the transaction.

Features