Showing 1 - 3 results of 3 for search '"Quantum mechanics"' Refine Results
  1. 1
    Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models
    “..., thermal, or electronic properties. By fitting to quantum-mechanical density functional theory (DFT...”
    Get full text
    Default Article
    Save to List
    Saved in:
  2. 2
    Energetics and structure of grain boundary triple junctions in graphene
    “... with classical molecular dynamics simulations and quantum-mechanical density functional theory calculations. We...”
    Get full text
    Default Article
    Save to List
    Saved in:
  3. 3
    Kapitza thermal resistance across individual grain boundaries in graphene
    “... to the classical MD data. The corrected data are in good agreement with quantum mechanical Landauer-Butticker...”
    Get full text
    Default Article
    Save to List
    Saved in:
Search Tools: Get RSS Feed — Email this Search — Save Search