https://github.com/picocentauri/cavitation

Auxiliary Code Repository for 'Water cavitation results from the kinetic competition of bulk, surface and surface-defect nucleation events'
https://github.com/picocentauri/cavitation

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Auxiliary Code Repository for 'Water cavitation results from the kinetic competition of bulk, surface and surface-defect nucleation events'

• Host: GitHub
• URL: https://github.com/picocentauri/cavitation
• Owner: PicoCentauri
• Created: 2024-10-21T11:18:39.000Z (8 months ago)
• Default Branch: main
• Last Pushed: 2024-11-28T13:45:46.000Z (7 months ago)
• Last Synced: 2025-02-17T06:25:32.645Z (4 months ago)
• Language: Python
• Size: 3.12 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# Water cavitation  results from the kinetic competition of bulk, surface and surface-defect nucleation events

[![arXiv](https://img.shields.io/badge/arXiv-2410.17626-B31B1B.svg)](https://arxiv.org/abs/2410.17626)

The repository includes codes and simulations parameter files used for the work "Water

cavitation  results from the kinetic competition of bulk, surface and surface-defect

nucleation events" available at https://arxiv.org/abs/2410.17626.

## Installation

In a fresh Python environment (virtualenv or conda), run the

following command to install the code and all dependencies:

```bash

pip install -r requirements.txt

```

## Usage

The [simulations](simulations) folder contains *GROMACS* structure, topology and parameter

files to run constant pressure rate simulations.

Additionally, the [analysis](analysis) folder contains Python functions to analyze

the simulations to extract the prefactor and further analysis based on the prefactor.