Interface Builder
Search for optimal matches between two interfaces by exhaustive geometric searches: Interface Builder constructs 3D periodic models for VASP or other calculations.
Results from Interface Builder
- Interface models for VASP calculations
- Prepare models of different lateral displacements (points on γ surface)
- Explore twist grain boundaries
- Reported lattice mismatch
Computational characteristics
Fast: based on geometric features of two surfaces without resorting to energy calculations
Required MedeA modules
Core MedeA environment
Datasheet:
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- Interfacial oxygen and nitrogen induced dipole formation and vacancy passivation for increased effective work functions in TiN/HfO₂ gate stacks
- Effect of Impurity and Alloying Elements on Zirconium (Zr) Grain Boundary Strength and Iodine Adsorption, Dissociation, and Diffusion from First-Principles Computations
- Toughening of a bonded interface
- Adhesion and adhesive transfer at aluminum/diamond interfaces: A first-principles study
- Dehydrogenation Energy of Ethyl Alcohol (Ethanol) on a Cu (111) Surface
- Modeling work function changes in CMOS stacks containing HfO₂ high-k dielectrics
- Interface Energy of Metal-Ceramic Interface Co/WC Using ab initio Thermodynamics
- Strength of Ni Grain Boundary and the Effect of Boron