Interactive analysis of static, dynamic, and crystalline SDTrimSP simulations: Application to nitrogen ion implantation into vanadium
Computational Materials Science, 2026
Please see the full published article: https://doi.org/10.1016/j.commatsci.2026.114519
Highlights:
- Interactive web tool for SDTrimSP analysis
A Streamlit-based online interface enabling easy upload, visualization, and comparison of SDTrimSP simulation outputs without local installation. - Unified analysis of static, dynamic, and crystalline simulations
Supports direct comparison of amorphous static, fluence-dependent dynamic, and crystalline implantation results in a single platform. - Fluence-dependent evolution and saturation effects
Captures changes in ion depth profiles with increasing fluence, including concentration saturation behavior in dynamic simulations. - Built-in calculator for atomic density parameter
Simplifies setup of dynamic simulations by automatically determining the required implanted-ion atomic density. - Automated crystal structure conversion
Converts CIF/POSCAR files into SDTrimSP-compatiblecrystal.inpformat, enabling efficient simulations of crystalline targets. - Advanced visualization features
Includes unit conversion, smoothing methods, multi-profile comparison, and tracking of concentration maxima. - Integration of external datasets
Allows experimental or third-party simulation data to be uploaded and compared directly with SDTrimSP results. - Demonstration on nitrogen implantation into vanadium
Reveals fluence-driven profile evolution and strong orientation-dependent ion channeling effects in crystalline V. - Improved workflow efficiency and accessibility
Reduces manual preprocessing steps and enhances collaboration through a web-based, platform-independent solution.