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Add the oxygen limits correlations related to LBE in the properties sub-package, according to the package structure defined in issue #28.

Add the solubility correlations related to LBE in the properties sub-package, according to the package structure defined in issue #28.

Check that properties_path variable is not empty when loading properties.
This check is dummy for for liquid metal classes available in the package (Lead, Bismuth and LBE), since they correctly assign the value of the variable.
Anyway, the check must be performed to guarantee the correct execution of user-defined classes extending LiquidMetalInterface for which the properties_path variable might be left empty.

Update the API guide structure according to modules defined in issue #28.

repr method looks for attribute of LiquidMetal object that does not exist anymore.

Enable the loading of new thermochemical properties in Lead, Bismuth and LBE classes. Therefore, modify the value of the properties modules attribute of such classes to load properties from new modules (see also issue #29),

• [1] add a speed test to the test suite for performance tracking purposes

Add the diffusivity correlations related to lead in the properties sub-package, according to the package structure defined in issue #28.

Title self explaining. It is a matter of proper functionality assigned to proper class.

Define a "Learn more" section, with "Oxygen control" sub-section, to provide technical insights about the stable oxide formation and control. This section shall summarize and cite (with links) all the properties involved in the calculation.

In addition, define a "Tutorials" section showing an application used to monitor the lead level and the target oxygen control.

Set the correlations to use as default one inside the dictionary attribute _default_corr_to_use of the liquid metal classes.

Currently, a liquid metal object is instantiated provided a given thermo-dynamic state at input. When the instance is needed at a different thermo-dynamic state, a new instance must be created. This may imply an inefficient use of memory, especially when the same liquid metal object is wanted.

The possibility of instance reset (at different thermo-dynamic state) shall be considered for future code versions.

Please provide the file pyproject.toml to improve package install and distribution.

Define a specific module in properties sub-package containing iron solubility correlation for liquid bismuth.

Add the diffusivity correlations related to LBE in the properties sub-package, according to the package structure defined in issue #28.

In order to load properties from different modules, as proposed in issue #28, the _properties_module attribute of LiquidMetalInterface class (and its derived ones) must become a dictionary (as done for the __custom_properties_path attribute).

Add the thermochemical correlations related to lead in the properties sub-package, according to the package structure defined in issue #28.

For the sake of clarity, modify the properties sub-package structure the handle the large amount of new thermochemical properties.
The sub-package shall look like:

properties/
- __init__.py
- bismuth_properties.py
- lbe_properties.py
- lead_properties.py
- bismuth_thermochemicals/
  - __init__.py
  - diffusivity_in_bismuth.py
  - solubility_in_bismuth.py
  - bismuth_thermochemical_properties.py
- lbe_thermochemicals/
  - __init__.py
  - diffusivity_in_lbe.py
  - solubility_in_lbe.py
  - lbe_thermochemical_properties.py
- lead_thermochemicals/
  - __init__.py
  - diffusivity_in_lead.py
  - solubility_in_lead.py
  - lead_thermochemical_properties.py

The main __init__.py of the package must include all the modules defined in the properties sub-package properly.

In addition, update the code documentation to properly read the new sub-package docstrings.

Currently static method like cp_min, T_at_cp_min are embedded in LiquidMetal (LM) object classes (Lead, Bismuth, LBE). Due to the dynamic methodology of properties addition in LM objects, this approach shall be avoided.
Example of undesired behaviour:
. user adds its own cp correlation for Lead
. user asks for minimum value of cp ->> lbh15 can provide only minimum of cp for "gurvich1991" and "sobolev2011" correlation

Implementation must be in some sense "static": user asks those information without instantiation of specific property or perhaps he needs them to take decision at instantiation phase of LM.
Example:
. user wants to instantiate Bismuth knowing its cp value ->> in order to select the first or second root of the function he probably needs to know which is the function minimum

In current release, setting correlations to use determines the following undesired behavour:

>>> from lbh15 import Lead
>>> Lead.set_correlation_to_use('cp', 'sobolev2011')
>>> ll = Lead(T=668.15)
>>> ll.cp
146.7859768569852
>>> Lead.set_correlation_to_use('cp', 'gurvich1991')
>>> ll.cp
146.7859768569852
>>> ll2 = Lead(T=668.15)
>>> ll2.cp
146.77472503511203
>>> ll.cp
146.77472503511203

In practice, when a new instance is created, the new corralation impacts also the previously created one, thus changing its cp value. This is because property addition is a class related functionality and it is currently hanlded un new dunder method.

The following points shall be guaranteed:

• previous instances' properties must not change because of new correlation choice selected via class method.
• set correlation determines the correlation to use in instances initialized after it has been invoked.
• instances might have the possibility to change the correlation to use.

Replace all the specific test functions with just one that checks the initialization from all the available properties.
This shall be done for all the three liquid metals.
The test shall be dynamic so that when new properties are available they are going to be automatically tested.

Add the solubility correlations related to lead in the properties sub-package, according to the package structure defined in issue #28.

• [1] if len(args) == 4 is not enough: the check should be both on the presence of the 4-th argument and on its value;

Sometimes, correlations from the reference handbook miss the name used as acronym or identifier. In such case, the correlation name is lbh15. Please, check the handbook in case existing names for a correlation were neglected by mistake.

When the user adds his/her own correlation for a given property, this last becomes the default one also in case more correlations were already available. Check the documentation for correct information communicated to the user.

Implement the properties from the chapters 3 and 4 of the reference handbook.

Currently in LiquidMetalInterface object, when custom property objects are loaded, a check is performed to assure that they are childs of PropertyInterface class (but not PropertyInterface itself).

Indeed, the functionality must check that the user provided property is not an abstract class, i.e., that the user has correctly overwritten all the mandatory methods as described in the documentation.

If the check fails for a given property, that one must be skipped to avoid the stop of the program.

Add the oxygen limits correlations related to lead in the properties sub-package, according to the package structure defined in issue #28.

In LMFR hydrostatic pressure of the coolant is not negligible. This has an impact on coolant density which is crucial for criticality
calculations. Therefore, lbh15 shall provide correction on density as function of the pressure.

The handbook provides the correlation to adopt in Eq. 2.78

Define a specific module for messages, errors and warnings I/O:

• predefined strings
• templeate strings with replaceable arguments wrapped by proper function

Add the correlations related to diffusivity in bismuth in the properties sub-package, according to the package structure defined in issue #28.

Update the introduction and examples section of the documentation.
Define a table where all the new properties are listed and updated the examples to show their usage.

The version of lbh15 v1 has recently been released.
We suggest presenting this version of the package to the scientific community at the NURETH-20 conference.

As in the object of the issue. Standard numerical values for the physical constants must be uniquely defined once. The use of scipy.constants provides all physical constants following a QA approach.

Add the thermochemical correlations related to bismuth in the properties sub-package, according to the package structure defined in issue #28.

Move the implementation of the check outside the "private" method of LiquidMetalInterface, so that derived class can easily override it

It is formally better to implement the information method inside the PropertyInterface class.
This allows for easier future modification of it.
The LiquidMetalInterface class just needs to wrap it.

Please add the possibility to generate the documentation by using latexpdf without recurring separately to dvi and pdf document production.

Use the corporate tex class when generating the pdf documentation. Please use the techdoc option to prepare the manual or technical document of lbh15.

Support topics of material science such as corrosion and compatibility with steel and other structural materials (chapters 6-7).

There is no check when loading properties that one was already loaded by a different module. This behaviour shall be fixed to avoid useless looping and fix the output of methods like correlations_available.

The case in which the property correlation is non-injective and the root to use is not specified is not correctly handled when the property correlation is used for root finding of the temperature.
This does not impact the liquid metal classes available by default in the package but must be done for correct execution of the functionality by user-defined derived classes of LiquidMetalInterface.

There is a typo in the test, that is the T_at_min tests are defined twice.

• [1] implement type hints
• [2] apply the type checking to public methods by means of decorators

Add the thermochemical correlations related to LBE in the properties sub-package, according to the package structure defined in issue #28.

Make sure that any function is implemented allowing element-wise operations, so that correlations can be called on simple scalars and arrays at the same time. The use of np.array is suggested.

• [1] before exploiting the results of the minimization procedure, check the value of the OptimizeResult.success boolean flag;
• [2] about the rounding operations close to the validity range extrema:
• [2.A] check whether they are useful, otherwise delete them;
• [2.B] in case they remain:
• [2.B.1] apply them to both minimum and maximum values of the validity range for each extremum value;
• [2.B.2] check the sign of the if statement conditions;
• [2.B.3] put the tolerance value within the commons;
• [2.B.4] try to encapsulate the checks within an external private function, thus implementing them only once;
• [3] about the function to focus on for finding the maximum:
• [3.A] change it to the opposite of the original correlation;
• [3.B] put it within the "minimize_scalar()" function arguments directly, without any external def;

Define the elements' solubility in bismuth as done for the iron (see issue #25)

Static analysis is a method of program debugging that is done examining the code without executing it. The process provides undertanding of the code structure and can help ensure that the code adheres to industry standards.

pylint is the common tool used for static analysis of python programs.

Use the corporate tex class when generating the pdf documentation. Please use the techdoc option to prepare the manual or technical document of lbh15.

The class shall be used if found among available installed latex classes, otherwise the building must switch to default sphinx one

Upgrade lbh15 with elements from chapter 5 of the reference handbook.