Questions tagged [elasticity]

Questions about elasticity of materials.

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Calculating bulk modulus of aluminum using pymatgen and MLIP

I have an interatomic potential (CHGNet) which is interfaced with pymatgen and can output the stress on any structure. Now, I want to use pymatgen to calculate the bulk modulus for aluminum. The code ...
xlr's user avatar
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What is convention of predefined coordination system for defining elastic constant of a specific material

I try to find the elastic constants of LiTaO3 from online databases. I did find a page that lists them As I know, the ...
lsdragon's user avatar
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how can I calculate Poisson's ratio of graphene monolayer (2D material)

How can I calculate the Poisson's ratio of graphene monolayer, where I got the in-plane stiffness along the x-axis? most of the papers use this equation ES = b1Ꜫx2 + b2Ꜫy2 + b3ꜪxꜪy to calculate the ...
ahmed hassan's user avatar
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Is it a good idea to always read charge and orbitals if I am working on similar systems?

For example, if I am investigating of the elastic properties of a crystal by doing a lot of computations of crystals applied with small strain. Also, is it a good idea to read charge and orbitals when ...
蕭力諶's user avatar
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Calculating strain field. Need idea on how to do that

Recently I am learning VASP. I am trying to see different properties of two-level system (TLS). For example, checking amorphous silicon as a test case (along with it's vacancy structures as well). ...
Sak's user avatar
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