Factors controlling segregation tendency of solute Ti, Ag and Ta into different symmetrical tilt grain boundaries of tungsten: First-principles and experimental study
A.T. AlMotasem, Teodor Huminiuc, Tomáš Polcar
Topics & Concepts
Materials scienceGrain boundaryElectronegativityTungstenValence electronDensity functional theoryValence (chemistry)ElectronCrystallographyCondensed matter physicsAtomic physicsComputational chemistryMicrostructureMetallurgyChemistryQuantum mechanicsOrganic chemistryPhysicsSemiconductor materials and interfacesMicrostructure and mechanical propertiesSurface and Thin Film Phenomena