Inhibition Mechanism of MgO Addition on High‐Temperature Oxidation of Magnetite: Density Functional Theory and Ab Initio Molecular Dynamics Methods Joint Research and Experimental Verification

Experimental and molecular dynamics examination of the interface interaction between magnesium oxide and magnetite in a high temperature oxidation environment

(2022) Yaozu Wang et al.   MATERIALS & DESIGN

Carbochlorination mechanism of low-grade titanium slag: Ab initio molecular dynamic simulation

(2022) Pan Deng et al.   Journal of Materials Research and Technology-JMR&T

Atomic level insights into the Ti2AlC oxidation mechanism by the combination of density functional theory and ab initio molecular dynamics calculations

(2021) Qingxin Kang et al.   CORROSION SCIENCE

Investigation for oxidation mechanism of CrN: A combination of DFT and ab initio molecular dynamics study

(2021) Qingxin Kang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Theoretical research for oxidation mechanism of α-Ti: A combination of DFT and ab initio molecular dynamics study

(2021) Qingxin Kang et al.   VACUUM

First principles studies of oxygen adsorption on the γ-U (1 1 0) surface and influences of Mo doping

(2020) Xiaofeng Tian et al.   COMPUTATIONAL MATERIALS SCIENCE

Adsorption or deoxidation of H2 interacted with Fe3O4 surface under different H coverage: A DFT study

(2019) Yu Meng et al.   APPLIED SURFACE SCIENCE

Ab initio study on physical and chemical interactions at borates and iron oxide interface at high temperature

(2019) Huong T.T. Ta et al.   CHEMICAL PHYSICS

Wettability in water/iron ore powder systems: To the universality of the Cassie model

(2017) Rodolfo Marín Rivera et al.   INTERNATIONAL JOURNAL OF MINERAL PROCESSING

Oxidation induration process and kinetics of Hongge vanadium titanium-bearing magnetite pellets

(2016) W. Li et al.   IRONMAKING & STEELMAKING

Influencing factors and mechanism of water absorption process of iron ores during sintering

(2014) Guo-liang Zhang et al.   International Journal of Minerals Metallurgy and Materials

A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe3O4

(2014) David Santos-Carballal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-Temperature Oxidation Behavior of Vanadium, Titanium-Bearing Magnetite Pellet

(2011) Gui-hong HAN et al.   JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL

Structure, charge distribution, and electron hopping dynamics in magnetite (Fe3O4) (100) surfaces from first principles

(2010) Frances N. Skomurski et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Interactions between Magnetite Oxidation and Flux Calcination during Iron Ore Pellet Induration

(2008) Andrew R. Firth et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE