A reactive force field molecular dynamics study on the inception mechanism of titanium tetraisopropoxide (TTIP) conversion to titanium clusters
Dingyu Hou, Muye Feng, Jili Wei, Yi Wang, Adri C. T. van Duin, Kai Luo
Topics & Concepts
ReaxFFTitaniumMolecular dynamicsBreakageChemistryChemical physicsChemical engineeringCondensationDecompositionNanotechnologyComputational chemistryMaterials scienceOrganic chemistryThermodynamicsComposite materialInteratomic potentialPhysicsEngineeringnanoparticles nucleation surface interactionsCatalytic Processes in Materials ScienceElectrohydrodynamics and Fluid Dynamics