SIFT

Table of Contents

  • Installation
  • LAMMPS commands
  • Examples
    • Mold integration for the 100 plane of the fcc crystal of the Lennard-Jones potential
    • Lattice mold calculation of Ice Ih nucleation rate at T=220K using the mW model
SIFT
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  • Examples
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Examples¶

  • Mold integration for the 100 plane of the fcc crystal of the Lennard-Jones potential
    • Optimal radius calculation
    • Thermodynamic integration
    • Extrapolation for calculating the interfacial free energy
  • Lattice mold calculation of Ice Ih nucleation rate at T=220K using the mW model
    • Well occupancy curves (thermodynamic integration)
    • Average nucleation time
    • Extrapolation of the nucleation rate
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© Copyright 2023, Andres R. Tejedor, Ignacio Sanchez-Burgos, Felipe J. Blas, Eduardo Sanz, Ruslan Davidchack, Carlos Vega, Nicodemo Di Pasquale, Jorge Ramírez, and Jorge R. Espinosa

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