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The segregation of solute elements to defects in metals plays a fundamental role for microstructure evolution and the materials performance. However, the available computational data is scattered and inconsistent due to the use of different simulation parameters and methods. We present a high throughput study on grain boundary and surface segregation together with their effect on grain boundary embrittlement using a consistent first-principles methodology.
The segregation of solute elements to defects in metals plays a fundamental role for microstructure evolution and the materials performance. However, the available computational data is scattered and inconsistent due to the use of different simulation parameters and methods. We present a high throughput study on grain boundary and surface segregation together with their effect on grain boundary embrittlement using a consistent first-principles methodology.
As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.
