First-principles study on microstructure of CaO-Al2O3-B2O3 slag

Viscosity and Its Correlation to the Ionic Structure of CaO–Al2O3–B2O3 Slags with Various La2O3 Additions

(2022) Lei Fan et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Effects of BaO Content and CaO/Al2O3 Ratio on the Properties and Structure of Aluminate Slag

(2022) Jie Lei et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

A Comprehensive Investigation on the Microstructure and Thermal Conductivity of CaO-Al2O3 Based Mold Slags: Equilibrium Molecular Dynamics Simulations

(2021) Zhe Wang et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Molecular Dynamics Study of Structural Properties of Refining Slag with Various CaO/Al2O3 Ratios

(2021) Hongxuan Zhao et al.   Minerals

Effects of La2O3 Addition into CaO-SiO2 Slag: Structural Evolution and Impurity Separation from Si-Sn Alloy

(2021) Mengyi Zhu et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Effect of B2O3 on the structure of CaO-Al2O3-B2O3 ternary melts: A molecular dynamics simulation

(2021) Xin Feng et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Microstructural analysis by molecular dynamics simulation of aluminate ternary slag with alkaline oxide

(2021) Ting Wu et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Effects of B2O3 and CaO/Al2O3 on Structure of CaO–Al2O3–B2O3 System

(2021) Shou-lin Huang et al.   MATERIALS TRANSACTIONS

Structure and Viscosity of CaO–Al2O3–B2O3 Based Mould Fluxes with Varying CaO/Al2O3 Mass Ratios

(2020) Jiangling Li et al.   ISIJ INTERNATIONAL

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

(2020) Thomas D. Kühne et al.   JOURNAL OF CHEMICAL PHYSICS

Rheological behavior of the CaO-Al2O3-based mold fluxes with different Na2O contents

(2020) Wanlin Wang et al.   CERAMICS INTERNATIONAL

Nonequilibrium Molecular Dynamics Simulations of Coal Ash

(2020) Shi Yu et al.   Energies

First principle study of electronic structural and physical properties of CaO SiO2Al2O3 ternary slag system by using Ab Initio molecular and lattice dynamics

(2020) Muhammad Sajid et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Effects of B2O3 on the structure and properties of blast furnace slag by molecular dynamics simulation

(2020) Zhisheng Bi et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Gaining insights on high-temperature thermal conductivity and structure of oxide melts through experimental and molecular dynamics simulation study

(2020) Jian Yang et al.   Journal of Materials Research and Technology-JMR&T

Effect of SiO2 substitution with Al2O3 during high-Al TRIP steel casting on crystallization and structure of low-basicity CaO–SiO2-based mold flux

(2019) Ding-li Zheng et al.   JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL

Effect of Fluorine and CaO/Al2 O3 Mass Ratio on the Viscosity and Structure of CaO-Al2 O3 -based Mold Fluxes

(2019) Hanqing Shao et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Effect of Substituting CaO with BaO and CaO/Al2O3 Ratio on the Viscosity of CaO–BaO–Al2O3–CaF2–Li2O Mold Flux System

(2019) Zhirong Li et al.   Metals

In situ probing electrified interfacial water structures at atomically flat surfaces

(2019) Chao-Yu Li et al.   NATURE MATERIALS

Investigation the influences of B2O3 and R2O on the structure and crystallization behaviors of CaO–Al2O3 based F-free mold flux

(2018) Jiangling Li et al.   Metallurgical Research & Technology

Effect of Al2O3/SiO2 and CaO/Al2O3 ratios on wettability and structure of CaO–SiO2–Al2O3-based mold flux system

(2018) Wan-lin Wang et al.   JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL

Effects of B2O3 on Crystallization, Structure, and Heat Transfer of CaO-Al2O3-Based Mold Fluxes

(2018) Jian Yang et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Viscous characteristics and modelling of CaO–Al2O3-based mould flux with B2O3 as a substitute for CaF2

(2017) Wei Yan et al.   IRONMAKING & STEELMAKING

Evaluation of B2O3as replacement for CaF2in CaO–Al2O3based mould flux

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

Calculation of Physical Properties for Use in Models of Continuous Casting Process-Part 1: Mould Slags

(2016) Kenneth C. Mills et al.   ISIJ INTERNATIONAL

Viscous properties of new mould flux based on aluminate system with CeO2 for continuous casting of RE alloyed heat resistant steel

(2016) Jie QI et al.   JOURNAL OF RARE EARTHS

Effect of CaO/Al2O3ratio on viscosity and crystallisation behaviour of mould flux for high Al non-magnetic steel

(2015) W. Yan et al.   IRONMAKING & STEELMAKING

Molecular dynamics simulation of the structure and properties for the CaO–SiO2 and CaO–Al2O3 systems

(2015) Ting Wu et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Effects of B2O3 and BaO on the Crystallization Behavior of CaO-Al2O3-Based Mold Flux for Casting High-Al Steels

(2015) Dan Xiao et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Effect of B2O3addition on viscosity of mould slag containing low silica content

(2013) X. H. Huang et al.   IRONMAKING & STEELMAKING

Role of B2O3 on the Viscosity and Structure in the CaO-Al2O3-Na2O-Based System

(2013) Gi Hyun Kim et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Charge-shift bonding and its manifestations in chemistry

(2009) Sason Shaik et al.   Nature Chemistry