All single crystalline anisotropic?

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Discussion Overview

The discussion revolves around the anisotropic properties of single crystals, particularly focusing on whether single crystalline materials can be considered isotropic. Participants explore the implications of crystal structure on properties like diffusivity and stiffness, examining how these properties behave in different directions within the crystal lattice.

Discussion Character

  • Debate/contested
  • Technical explanation
  • Conceptual clarification

Main Points Raised

  • One participant asserts that no single crystal is isotropic because properties can vary with small rotations, despite some planes exhibiting similar properties.
  • Another participant mentions that second-rank tensors, such as diffusivity and thermal conductivity, can be isotropic in cubic single crystals, while fourth-rank tensors, like stiffness and compliance, are not.
  • A participant questions the isotropy of diffusivity in silicon crystals, arguing that the atomic arrangement differs significantly in various directions, suggesting that diffusivity should also differ.
  • Another participant responds by stating that for cubic crystals, the diffusive flux remains consistent across directions, despite the atomic arrangement appearing different.
  • A participant expresses confusion about the relationship between diffusion coefficients and temperature gradients, indicating a need for clarification on how these factors interact in a rotating frame of reference.
  • One participant suggests considering the driving force (temperature gradient) as changing direction rather than the structure, proposing a mathematical decomposition of the gradient vector to analyze the flux.
  • A comment highlights that while second-rank tensors may be isotropic in cubic symmetry, they are not microscopically isotropic and can depend on site symmetry, providing an example involving the Debye-Waller factor in BaTiO3.

Areas of Agreement / Disagreement

Participants express differing views on the isotropy of single crystals, particularly regarding specific properties like diffusivity. There is no consensus on whether single crystalline materials can be considered isotropic, as multiple competing perspectives are presented.

Contextual Notes

Participants reference specific tensor properties and their behavior in cubic crystals, indicating a nuanced understanding of how these properties may vary based on crystal structure and symmetry. The discussion includes unresolved mathematical reasoning and assumptions about the relationship between atomic arrangement and material properties.

xxh418
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Hi all:
I have a question about the anisotropy properties of SINGLE CRYSTAL. The definition of the isotropy in WiKi is that the properties of the materials are the identical in ALL directions. If so, none of the single crystal is isotropic even though you can find such XYZ planes that the properties are the same(such as BCC FCC). But if you rotate like 1 degree, the properties in the X and X' directions will be different. Am I right? Or I have make mistakes. I know that the macro-properties of the properties are ofter isotropic just due to the polycrystalline structure.
 
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xxh418 said:
Hi all:
I have a question about the anisotropy properties of SINGLE CRYSTAL. The definition of the isotropy in WiKi is that the properties of the materials are the identical in ALL directions. If so, none of the single crystal is isotropic even though you can find such XYZ planes that the properties are the same(such as BCC FCC). But if you rotate like 1 degree, the properties in the X and X' directions will be different. Am I right? Or I have make mistakes. I know that the macro-properties of the properties are ofter isotropic just due to the polycrystalline structure.

What property are you asking about? Second-rank tensors (diffusivity, thermal conductivity) of cubic single crystals are isotropic. Fourth-rank tensors (stiffness, compliance) aren't. See Nye's book for discussion.
 
Mapes said:
What property are you asking about? Second-rank tensors (diffusivity, thermal conductivity) of cubic single crystals are isotropic. Fourth-rank tensors (stiffness, compliance) aren't. See Nye's book for discussion.

Mapes, Thanks for your reply. I am talking about the diffusivity. But I can not understand how the diffusivity can be all the same in all directions. For example, for Si crystal, If I pick {110},{1 1 -1}{1 1 2} directions, the arrangement of the atoms in every directions are very different. Thus, I suppose the diffusivisty should be different.
 
xxh418 said:
Mapes, Thanks for your reply. I am talking about the diffusivity. But I can not understand how the diffusivity can be all the same in all directions. For example, for Si crystal, If I pick {110},{1 1 -1}{1 1 2} directions, the arrangement of the atoms in every directions are very different. Thus, I suppose the diffusivisty should be different.

The arrangement of atoms looks different in that direction, but the diffusive flux adds up to the same value (for cubic crystals). Try calculating it.
 
Mapes:
I still can not get it. I drew the crystal lattice and think it over and over. Just assume we have simple cubic structure. The diffusion tension is [D 0 0; 0 D 0; 0 0 D]. If we rotate an small angle thita. Then the new diffusion coefficient in the new direction would be D multiplied by a function of thia. Then given the same temperature gradients for two directions, the diffusion coefficients are different (one has thita, one not). The flux should be different. I know there must be something wrong of my logic. But I do not know what is the problem.


Regards
Xu
 
It's easier to keep the structure stationary and imagine the driving force (the temperature gradient) changing direction. Decompose the gradient vector \textbf{G} into the principal axes of the structure: \textbf{G}=G\textbf{i}\cos \theta+G\textbf{j}\sin \theta. Then the flux is \textbf{F}=\textbf{D}\textbf{G}=DG\textbf{i}\cos \theta+DG\textbf{j}\sin \theta. What is the magnitude of vector \textbf{F}?
 
Just a comment. For the point cubic symmetry a second rank tensor is isotropic. However in cubic crystal it is not microscopically isotropic, but will depend on the site symmetry. A good example is the Debay-Waller (DW) factor which is tensor and in general it is a scalene ellipsoid even in cubic crystal. In BaTiO3 cubic perovskite the oxygen DW factor can be different in (110) and (001) directions.
 

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