Open computron opened 7 years ago
mkhorton
commented
7 years ago Table in the footer of the Lamé page is very helpful: I think we should focus on this case first, if we get it 'right' (i.e. simple, minimal Model definition, but graph/sympy handles all conversion cases), then I think it'll be a good sign our design is sound.
mkhorton
commented
6 years ago Looking at these: https://github.com/hackingmaterials/matminer/blob/d7103af3b563f3c13ebaf4cba8eb74de5efbdc33/matminer/models/mechanical_properties.py
A lot are not properties of a material: they depend on e.g. temperature gradient, indentation load, crack size, etc. While it may be useful to have reference implementations for these, they aren't going to add new new properties to the existing ones on MP.
computron
commented
6 years ago The way a material responds to an external field is a materials property...
The goal is not to decorate MP with properties, the goal is encapsulate materials science knowledge in code ...
Maybe we should talk sometime, if I get a chance I’ll send an email out
On Tue, May 22, 2018 at 6:53 PM Matthew Horton notifications@github.com wrote:
Looking at these: https://github.com/hackingmaterials/matminer/blob/d7103af3b563f3c13ebaf4cba8eb74de5efbdc33/matminer/models/mechanical_properties.py
A lot are not properties of a material: they depend on e.g. temperature gradient, indentation load, crack size, etc. While it may be useful to have reference implementations for these, they aren't going to add new new properties to the existing ones on MP.
— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/materialsintelligence/propnet/issues/1#issuecomment-391195113, or mute the thread https://github.com/notifications/unsubscribe-auth/AA8Oh0SNdH6E9wfiEzkfguPoUy9qZlWkks5t1MEwgaJpZM4PlBJX .
computron
commented
6 years ago https://en.m.wikipedia.org/wiki/Constitutive_equation
On Tue, May 22, 2018 at 7:02 PM Anubhav Jain anubhavster@gmail.com wrote:
The way a material responds to an external field is a materials property...
The goal is not to decorate MP with properties, the goal is encapsulate materials science knowledge in code ...
Maybe we should talk sometime, if I get a chance I’ll send an email out
On Tue, May 22, 2018 at 6:53 PM Matthew Horton notifications@github.com wrote:
Looking at these: https://github.com/hackingmaterials/matminer/blob/d7103af3b563f3c13ebaf4cba8eb74de5efbdc33/matminer/models/mechanical_properties.py
A lot are not properties of a material: they depend on e.g. temperature gradient, indentation load, crack size, etc. While it may be useful to have reference implementations for these, they aren't going to add new new properties to the existing ones on MP.
— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/materialsintelligence/propnet/issues/1#issuecomment-391195113, or mute the thread https://github.com/notifications/unsubscribe-auth/AA8Oh0SNdH6E9wfiEzkfguPoUy9qZlWkks5t1MEwgaJpZM4PlBJX .
computron
commented
6 years ago There’s acouple in that file that I wouldnt call materials properties
For example, steady_state_heat_flow is not a materials property but max_allowable_heat_flow is
On Tue, May 22, 2018 at 7:04 PM Anubhav Jain anubhavster@gmail.com wrote:
https://en.m.wikipedia.org/wiki/Constitutive_equation
On Tue, May 22, 2018 at 7:02 PM Anubhav Jain anubhavster@gmail.com wrote:
The way a material responds to an external field is a materials property...
The goal is not to decorate MP with properties, the goal is encapsulate materials science knowledge in code ...
Maybe we should talk sometime, if I get a chance I’ll send an email out
On Tue, May 22, 2018 at 6:53 PM Matthew Horton notifications@github.com wrote:
Looking at these: https://github.com/hackingmaterials/matminer/blob/d7103af3b563f3c13ebaf4cba8eb74de5efbdc33/matminer/models/mechanical_properties.py
A lot are not properties of a material: they depend on e.g. temperature gradient, indentation load, crack size, etc. While it may be useful to have reference implementations for these, they aren't going to add new new properties to the existing ones on MP.
— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/materialsintelligence/propnet/issues/1#issuecomment-391195113, or mute the thread https://github.com/notifications/unsubscribe-auth/AA8Oh0SNdH6E9wfiEzkfguPoUy9qZlWkks5t1MEwgaJpZM4PlBJX .
mkhorton
commented
6 years ago The way a material responds to an external field is a materials property...
The goal is not to decorate MP with properties, the goal is encapsulate materials science knowledge in code ...
Ok, clarity on this would be appreciated since it really will change the direction we go, e.g. if we want to prioritize a builder to get a pre-computed table added to a MP mat details page, that will change the kind of models we want to spend time adding.
Already there:
various mechanical property relations (bulk, shear, Poission, p-wave, Lame) via: https://en.wikipedia.org/wiki/Lamé_parameters
Vicker's hardness from bulk modulus
thermal stress
various toughness (see matminer - although might require some revision / thought)
various heat flow / thermal stress (see matminer - although might require some revision / thought)
sound velocity from bulk modulus
multiple thermal conductivity models
Some of these I would classify as "good" relations already - i.e., relations between two intrinsic materials properties. Others require more thought - e.g., if the relation involves an initial crack size or some other parameter that is "external" to the fundamental material. Those I think can be skipped initially and added as issues to figure out later