Embedding functions for Pt and Pd: recalculation and verification on properties of bulk phases, Pt, Pd, and Pt–Pd nanoparticles
V. M. Samsonov, A. A. Romanov, A. Yu. Kartoshkin, I. V. Talyzin, V. V. Puytov
Topics & Concepts
EmbeddingEmbedded atom modelModuliBinary numberPalladiumAtom (system on chip)NanoparticleThermodynamicsMolecular dynamicsMaterials scienceChemistryPhysical chemistryPhysicsNanotechnologyComputational chemistryMathematicsCatalysisQuantum mechanicsComputer scienceBiochemistryArithmeticArtificial intelligenceEmbedded systemnanoparticles nucleation surface interactionsAdvanced Chemical Physics StudiesTheoretical and Computational Physics