Generating Fcc and Bcc

[vahi...@gmail.com]

Hi,
I am trying to compare the mechanical and physical properties of  polycrystalline Fcc and Bcc structures. I am going to generate synthetic microstructures of both. I know how to generate synthetic cubic microstructure, but don't have any idea how to introduce Fcc or Bcc. Can somebody help me?

[Michael Jackson]

DREAM.3D does not get down to that level of detail for the synthetic microstructure. The reason we have you pick a Laue class is if you want to generate matching crystallographic textures. FCC and BCC will never come into play in the current DREAM.3D implementation.

 

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Mike Jackson

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[vahi...@gmail.com]

Dear Mike,

thank you very much for your reply. Some properties of materials depend on the atomic density in a particular crystallographic direction. Is there a method to introduce a higher density in a certain direction in Dream3D?  More generally, does Dream3D see each unit cell of a crystal lattice as just a geometry entity (i.e. voxels with distinct orientation), or does it take more physics into account?

Best.

Vahid

[Anthony Rollett]

Hi

Helping out Mike here: Dream3D is definitely intended for use at a mesoscopic scale. As you surmise, Dream3D works with crystallographic orientation as a material state (more than a property) at the each point (or per feature, at the next level up ). In any case, I am confused by your question about introducing a higher atomic density in an arbitrary (crystal) direction because that is a characteristic that is completely constrained by the crystal structure.  To delve into atomic structure, you may wish to take a look at the LAMMPS package (supported by the Sandia Lab).

Regards, Tony Rollett

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[Dennis Dimiduk]

I just want to expand slightly on these replies. DREAM.3D operates with geometry and crystallographic orientation (objects and their crystallographic orientation). Any atomic information must be carried with the crystal orientation, usually via an external code that may be simulating the material response, such as the constitutive law selected for a finite element simulation.

Having said that, there is a filter in the filter library "Synthetic Building/Packing/Insert Atoms" that will permit backing objects at the atomic level, such as for initializing a LAMMPS simulation.

Cheers,

Dennis 

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Dennis M. Dimiduk, Ph.D.

Chief Technologist

BlueQuartz Software, LLC

400 S. Pioneer Blvd Springboro, OH, 45066 
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[Michael Jackson]

A word of caution with that filter: Packing *atoms* can blow out the memory on a given machine *very* quickly. I would only suggest using that filter on a very small synthetic (small in physical size) or running on an HPC machine.

 

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Mike Jackson

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