Creating the interface of martensite (BCT) and ferrite (BCC)

Dear Dr. Nishihara

Thank you for making this wonderful software.

I'm new into this computational field, and therefore I'm eager to learn this software from you.

I want to calculate the interface energy of two different phases, in this case: ferrite (bcc) - martensite (bct)

1. Using burai, is it possible to make the interface cell system containing two different structures, like shown in Acta Mater. 116 (2016) 231-237?

2. If the above-mentioned structure is possible, could you give me a direction how to calculate the interface of that interface cell? (any simple direction would be so much help for me)

Thank you very much.

Mahendradhany, South Korea.

2件のコメント

Lewis Wood

2022年11月30日

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Satomichi Nishihara

2017年10月29日

Dear Mahendradhany,

>1. Using burai, is it possible to make the interface cell system containing two different structures, like >shown in Acta Mater. 116 (2016) 231-237?

>2. If the above-mentioned structure is possible, could you give me a direction how to calculate the >interface of that interface cell? (any simple direction would be so much help for me)

Generally speaking, to create interface model is very difficult.

And, BURAI does not have interface builder.

If you want to make interface model, you have to merge two slab models by yourself.

Slab models can be made easily by BURAI.

If you learn more about computational simulation,

I recommend you to obtain superviser of material scientist.

Best,

Nishihara