Atomic and electronic structure of grain boundaries in a-Al2O3: A combination of machine learning, first-principles calculation and electron microscopy
Tatsuya Yokoi, A. Hamajima, Jianhong Wei, Bin Feng, Y. Oshima, Katsuyuki Matsunaga, Naoya Shibata, Yuichi Ikuhara
Topics & Concepts
Scanning transmission electron microscopyMaterials scienceArtificial neural networkElectronic structureGrain boundaryTransmission electron microscopyDensity functional theorySimulated annealingAnnealing (glass)Work (physics)Tilt (camera)ElectronArtificial intelligenceMolecular physicsAtomic physicsMachine learningCondensed matter physicsComputer scienceNanotechnologyPhysicsThermodynamicsMicrostructureGeometryQuantum mechanicsMathematicsMetallurgyMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyElectronic and Structural Properties of Oxides