Pushing the limits of atomistic simulations towards ultra-high temperature: A machine-learning force field for ZrB2
Yanhui Zhang, Alessandro Lunghi, Stefano Sanvito
Topics & Concepts
AerospaceMaterials scienceForce field (fiction)Field (mathematics)CeramicThermal expansionThermalWork (physics)Mechanical engineeringPhononAerospace engineeringEngineering physicsNanotechnologyComputer scienceCondensed matter physicsComposite materialThermodynamicsArtificial intelligenceEngineeringPhysicsPure mathematicsMathematicsNuclear Materials and PropertiesMachine Learning in Materials ScienceBoron and Carbon Nanomaterials Research