⭐ Article highlights: Analyze and compare SDTrimSP ion implantation simulations in an interactive web interface

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-compatible crystal.inp format, 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.