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# Summary
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The `Pore2Chip` Python package is designed to create two-dimensional micromodels using extracted data from three-dimensional X-ray computed tomography
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The `Pore2Chip` Python package is designed to create 2D micromodels using extracted data from 3D X-ray computed tomography
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(XCT) images. This package helps analyze soil structure and function, allowing for the investigation of environmentally significant biogeochemical processes
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that impact soil organic matter (SOM) decomposition and loss, oxygen concentrations, and nutrient availability in disturbed or managed soils. The extracted
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data includes characterizations of the pore network using major water retention and flow metrics relevant to porous materials. Key metrics encompass pore size
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distributions, pore throat size distributions, and connectivity (pore coordination numbers). The software's final output is a 2D scalable lab-on-chip SVG
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design representing a core or aggregate. It can be fabricated with methods such as laser etching, 3D printing, and photolithography.
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that impact soil organic matter (SOM) decomposition and loss, oxygen concentrations, and nutrient availability in disturbed or managed soils. Key metrics encompass pore size
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distributions, pore throat size distributions, and connectivity (pore coordination numbers). The final output is a 2D scalable SVG
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design representing a core or aggregate. Designs can be fabricated with methods such as laser etching, 3D printing, and photolithography.
determine the flow of water, solutes, and gasses as well as SOM retention, transport, and distribution
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[@hamamoto2010excluded; @bailey2017differences; @Waring2020]. Simplified, homogeneous pore networks provide innovative
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demonstrations of how water, solutes, and microbes interact [@Bhattacharjee2022] but need more accurate representations of soil properties.
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Heterogeneous synthetic habitats are more realistic but time-consuming to design and do not include pore network characteristics, such as pore
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connectivity or pore throat measurements. Incorporating pore dynamics into soil models such as SOM degradation enables dynamic predictions for soil
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Creating realistic heterogeneous habitats is time-consuming and does not include pore network characteristics, such as pore
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connectivity. Incorporating pore dynamics into soil models such as SOM degradation enables dynamic predictions for soil
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responses under changing pore networks [@davidson2012d; @moyano2018diffusion].
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Currently, there is no software available to seamlessly provide various micromodel designs that researchers can test and validate with minimal computational
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cost (Dentz et al., 2023; Oostrom et al., 2014). `Pore2Chip` allows us to overcome this barrier by providing the intended users, such as earth scientists and
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lab-on-chip instrument specialists, with easy-to-use research software for lab-on-chip designs. Specifically, the Pore2Chip-based data worth analysis of
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high-resolution XCT images allows us to fill this experimental design gap by allowing the users to build a representative quasi-2D pore network along with
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first-order, fast, and reasonably accurate flow models that can be linked with experiments. These `Pore2Chip`flow models are built using recent advances in
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The need for software that can generate various micromodel designs that researchers can test and validate with minimal computational
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cost [@Dentz2023; @Oostrom2014] is increasing. `Pore2Chip` allows this functionality by providing the intended users, such as earth scientists and
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lab-on-chip instrument specialists, with easy-to-use research software for lab-on-chip designs. Specifically, the Pore2Chip-based data worth analysis allows researchers to
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fill this experimental design gap by enabling the ability to build a representative quasi-2D pore network along with
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first-order, fast, and reasonably accurate flow models that can be linked with experiments. These flow models are built using recent advances in
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physics-informed neural networks [@New2024], laying the foundation to accelerate numerical simulations and improve the fidelity of predictions in
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microscale environments. Moreover, `Pore2Chip` allows one to assess the impact of various system parameters, such as pore structures, fluid properties, and
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flow conditions, needed to develop optimal micromodel experiments. Such a capability can guide model-experiment-data (ModEx) integration at the microscale,
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allowing for upscaling microscale processes and predictions of dynamic soil properties and functions (see \autoref{fig:fig1}).
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## Main features and differences with other tools
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Sphere packing algorithms are often used to simulate soil structures in a simplified 2D design. However, this approach only deals with individual grain size
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distributions and grain clustering without allowing control over important porous properties such as pore connectivity and size distributions. `Pore2Chip`
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addresses this limitation by representing pore networks as connected shapes. This enables users to easily create and control pore networks representing
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various real-world conditions. `Pore2Chip` offers experimental design capabilities that cannot be achieved by existing software such as epyc [@Dobson2022].
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`Pore2Chip` addresses complex pore structures by representing pore networks as connected shapes, unlike older sphere packing algorithms.
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This enables users to easily create and control pore networks representing various real-world conditions. `Pore2Chip` offers experimental design capabilities that
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cannot be achieved by existing software such as epyc [@Dobson2022].
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`Pore2Chip` provides support and reproducibility for developing lab-on-chip experimental designs uniformly across different soil datasets with fast, reasonably
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accurate, first-order flow modeling capabilities. Microscale experimental designs using printed Pore2Chip-based micromodels may target both abiotic and biotic
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accurate, first-order flow modeling capabilities. Microscale experiments using `Pore2Chip` micromodels may target both abiotic and biotic
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processes and be integrated into modeling efforts such as water flow modeling, reactive transport modeling, and microbial activity simulations.
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## Implementation details and support libraries
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Using `Porespy`[@Gostick2016], `OpenPNM`[@Gostick2016] and various graphics rendering libraries (e.g., drawsvg, ezdxf, svglib, cairosvg, reportlab),
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`Pore2Chip` renders SVG or DXF micromodel designs of the desired XCT images or similar 3D imaging sources. Output designs are scalable and adjustable based
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on the target porosity of the micromodel. Once the network is generated, it can be exported as micromodel data in SVG or DXF formats and VTK formats for
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`Pore2Chip` renders SVG or DXF micromodel designs of the generated network. Output designs are scalable and adjustable based
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on the target porosity of the micromodel. It can also be exported as micromodel data in VTK formats for
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visualization in Paraview or microfluidic simulations with open-source software such as `PFLOTRAN` (https://www.pflotran.org), `OpenFOAM` (https://www.openfoam.com),
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and other physics-informed neural network modules. If the user wants to extract data from XCT images, `Pore2Chip` has image filtering and network extraction
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modules utilizing Otsu thresholding and `PoreSpy`. The generation function can also work with data extracted by other means if it is an array of values that
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Python can read.
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\autoref{fig:fig2} provides a high-level overview of the repository structure and example use cases (\autoref{fig:fig1}) within the `Pore2Chip` repository.
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The package is hosted on the Python Package Index and can be installed using `pip` on any operating system with Python installed.
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Docker files exist for users who want to build an image that starts a JupyterLab server.
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These JupyterLab-based notebooks provide various examples for users to better understand the `Pore2Chip` micromodel design and first-order flow capabilities.
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The `tests` folder in the repository contains Python files used to test the `Pore2Chip` functionalities.
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All source code is available via Git, so the user can build and upgrade the package if desired.
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