4.7 Review

Review and perspective on polyhedron model for estimating thermodynamic properties of oxides

Related references

Note: Only part of the references are listed.
Article Engineering, Environmental

Promoting selective water decontamination via boosting activation of periodate by nanostructured Ru-supported Co3O4 catalysts

Kaiting Zhang et al.

Summary: This study demonstrates the excellent performance of ruthenium-based nanocomposites in activating periodate, showing high efficiency in eliminating organic micropollutants and inactivating pathogenic bacteria, indicating their great potential in selective water decontamination.

JOURNAL OF HAZARDOUS MATERIALS (2023)

Article Materials Science, Multidisciplinary

Investigation on microstructure and tensile fractography of RE Oxides (CeO2/Y2O3) reinforced AZ91D Magnesium Matrix Composites

Santhosh Gotagunaki et al.

Summary: The current study focuses on investigating the mechanical properties of magnesium alloy based metal matrix composites (MMCs) reinforced with rare earth oxides. AZ91D alloy was chosen as the matrix material, while CeO2 and Y2O3 were used as the reinforcing materials. The percentage of Y2O3 reinforcement was varied from 1% to 3% in order to study its effect on the mechanical properties of the MMCs. Stir casting was used to fabricate the samples. Microstructure analysis showed uniform distribution of the particulates in the matrix alloy. The results demonstrated that increasing the percentage of reinforcement led to improved tensile strength, yield strength, elongation, and hardness in the MMCs. Fractography analysis of the fracture surfaces revealed that microcracks and cleavage were dominant in the pure alloy, while particle debonding and extensive plastic deformation were prominent in the MMCs.

FRATTURA ED INTEGRITA STRUTTURALE-FRACTURE AND STRUCTURAL INTEGRITY (2023)

Article Chemistry, Physical

Effect of rare earth oxides on desulfurization reaction at CaO ceramic surface during smelting of Ni-based superalloy

Chenyu Lin et al.

Summary: This study investigates the surface desulfurization reaction mechanism during smelting of Ni-based superalloys using CaO, REO, and CaO-REO ceramic system. Through SEM-EDS, EPMA, XRD, and XPS analysis, a surface layer mixed with CaS and 12CaO.7Al2O3 is found after the reaction between CaO and melt. CaS is the product of desulfurization, while 12CaO.7Al2O3 acts as an intermediate transfer medium between CaO and alloy melt at 1500 degrees C. Pure REO has no effect on desulfurization, but reacts with the active element Al in superalloy to form binary oxides of RE and Al. The addition of REO in CaO changes the transfer medium at the interface and causes stratification.

APPLIED SURFACE SCIENCE (2023)

Article Engineering, Biomedical

Antibacterial and physical properties of resin cements containing MgO nanoparticles

Yuan Wang et al.

Summary: Adding magnesium oxide nanoparticles (MgONPs) as an antibacterial filler to dual-cure resin cement significantly improved its bacteriostatic effect against Streptococcus mutans without compromising its physical properties. Developing MgONPs-doped resin cements can be a promising strategy to enhance the material's ability to inhibit cariogenic bacteria.

JOURNAL OF THE MECHANICAL BEHAVIOR OF BIOMEDICAL MATERIALS (2023)

Article Physics, Applied

Raising critical currents in YBaCuO-type high-temperature superconductors by Mo substitution

K. Rogacki et al.

Summary: In this study, the critical currents and pinning mechanisms in Y123 single crystals with Mo substitution were investigated. Annealing the crystals under low and high pressure oxygen conditions had a significant effect on the observed properties. Measurements of magnetic hysteresis loops at different temperatures were used to calculate the critical current densities using the Bean critical state model. By scaling the pinning force using the Kramer approach and the Dew-Hughes model, the dominant pinning centers and mechanisms were determined for different field and temperature ranges. The substitution of Mo greatly increased the critical current density in the single crystals, with different pinning centers dominating at lower and higher fields.

LOW TEMPERATURE PHYSICS (2023)

Article Materials Science, Coatings & Films

Development of active thermochemical barrier coatings using metal oxides

Yasmina Portilla-Nieto et al.

Summary: A new type of thermal barrier coatings that utilize reversible redox reactions is proposed to protect metallic components in diesel engines and gas turbines. These coatings buffer temperature variations and reduce thermal stress by dissipating heat through endothermic and exothermic thermochemical reactions.

SURFACE & COATINGS TECHNOLOGY (2023)

Article Materials Science, Multidisciplinary

Electrodeposited Cobalt-Copper mixed oxides for supercapacitor electrodes and investigation of the Co/Cu ratio on the electrochemical performance

E. Noormohammadi et al.

Summary: Different Cobalt-Copper mixed oxides compositions for supercapacitor electrodes were prepared using electrodeposition and thermal annealing. The effects of different Co/Cu ratios on crystal lattice, electrode morphologies, and electrochemical performance were investigated. The CC4 electrode prepared from 0.06 M CoSO4·7H2O + 0.04 M CuSO4·5H2O solution exhibited better electrochemical performance with an initial capacity of 28.3 mAh/g and a coulombic efficiency of 94%. After 5000 cycles, the CC4 electrode showed a capacity retention of 79.2% at a constant current density of 1 A/g.

MATERIALS FOR RENEWABLE AND SUSTAINABLE ENERGY (2023)

Review Chemistry, Physical

Functional metal-organic frameworks as adsorbents used for water decontamination: design strategies and applications

Gege Wu et al.

Summary: With the rapid development of urbanization and industrial manufacturing, water contaminants are becoming more diverse and complex. Adsorption removal using metal-organic frameworks (MOFs) has emerged as a promising technology for environmental water decontamination. In this review, recent progress in constructing functional MOFs and their applications in the adsorption of various water contaminants are summarized. Different functionalization strategies for MOFs, including pre-synthetic and post-synthetic modifications, hybridization/carbonization, and adjustment of pore size, are discussed. The challenges and potential research opportunities for MOF-based adsorbents in water decontamination are also highlighted.

JOURNAL OF MATERIALS CHEMISTRY A (2023)

Article Engineering, Environmental

Cobalt-free fluorine doped Bi0.7Sr0.3FeO3-6 oxides for energetic cathodes of low-temperature solid oxide fuel cells

Juntao Gao et al.

Summary: This study developed cobalt-free fluorine doped Bi0.7Sr0.3FeO3-6 oxides for energetic cathodes of low-temperature solid oxide fuel cells.

CHEMICAL ENGINEERING JOURNAL (2023)

Article Thermodynamics

The impact of metakaolin, silica fume and fly ash on the temperature resistance of high strength cement paste

Nabil Abdelmelek et al.

Summary: The study shows that incorporating metakaolin, silica fume, and fly ash into high-strength cement paste can significantly improve its performance at elevated temperatures and mitigate the harmful effects of pure ordinary Portland cement. Excellent temperature resistance was observed with replacement ratios of 9%, 6%, and 15% for fly ash.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2022)

Article Chemistry, Physical

Study of structural, electrical and electrochemical properties of La0.7Sr1.3Co1-xFexO4 (x=0, 0.1, 0.3, 0.5) Ruddlesden-Popper oxides as promising cathode for intermediate solid oxide fuel cells

T. Ghorbani-Moghadam et al.

Summary: The research showed that Fe doping in La0.7Sr1.3CoO4 can enhance the electrochemical performance of cathodic symmetrical cells, reducing the area-specific polarization resistance. These cathode materials hold promise for use in intermediate solid oxide fuel cells.

JOURNAL OF ALLOYS AND COMPOUNDS (2022)

Article Chemistry, Physical

Exploring Mechanisms of Hydration and Carbonation of MgO and Mg(OH)2 in Reactive Magnesium Oxide-Based Cements

Mina Ghane Gardeh et al.

Summary: In this study, density functional theory-based simulations were used to investigate the physical nature and mechanisms of reactions in the fabrication process of reactive magnesium oxide-based cement (RMC). The interactions of H2O and CO2 molecules with MgO and brucite (Mg(OH)2) clusters were considered, and the carbonation and hydration interactions relevant to RMCs were evaluated. It was found that the carbonation of MgO is hindered by the presence of H2O molecules, while the carbonation of Mg(OH)2 is hindered by the formation of initial carbonate and hydrate layers as well as the presence of excessed H2O molecules.

JOURNAL OF PHYSICAL CHEMISTRY C (2022)

Article Chemistry, Multidisciplinary

Ultrahigh-Strength Porous Ceramic Composites via a Simple Directional Solidification Process

Di Zhao et al.

Summary: In this study, a highly porous ceramic composite with a dense and nanostructured skeleton matrix and a lotus-type porous structure was successfully fabricated using a directional solidification process. This composite exhibited a record-breaking strength among current porous ceramics, remaining strong even at high temperatures due to its refined lamellar structure and strong bonding interface. The findings demonstrate an efficient method for preparing ultrahigh-strength porous ceramics with high purity.

NANO LETTERS (2022)

Article Chemistry, Physical

Aluminum-titanium-cobalt substituted epsilon iron oxide nanosize hard magnetic ferrite for magnetic recording and millimeter wave absorption

Marie Yoshikiyo et al.

Summary: This article presents a synthesized aluminum-titanium-cobalt substituted epsilon iron oxide material (ATC-epsilon-Fe2O3), and provides the magnetic properties and terahertz spectroscopy characteristics of samples with different compositions. These materials are suitable for high-density magnetic recording and high-frequency millimeter wave absorber applications, and have the advantages of non-toxicity and low cost.

CHEMICAL PHYSICS LETTERS (2022)

Article Materials Science, Multidisciplinary

Enhancement of pinning and the peak effect in Y1-xFexBa2Cu3Oy high-temperature superconductors

K. S. Pigalskiy et al.

Summary: Through structural and magnetic studies of the Y1-xFexBa2Cu3Oy high-Tc superconductor, it has been found that weak doping with a magnetic 3d ion can significantly improve the transport properties of the material.

CURRENT APPLIED PHYSICS (2022)

Article Thermodynamics

Thermodynamic properties of Na2MgSiO4: DFT calculation and experimental validation

Jinxiang You et al.

Summary: Magnesium disodium silicate Na2MgSiO4 (N2MS) was synthesized through the sol-gel method and characterized using various techniques. The N2MS material exhibited an orthorhombic crystal structure, and its thermodynamic properties were computed using density functional theory (DFT). The measured and computed heat capacities showed good agreement.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2022)

Article Materials Science, Ceramics

Effect of type and amount of alumina as dopant over the densification and the electrical properties of zinc oxide ceramic electrodes

M. -J. Sanchez-Rivera et al.

Summary: Aluminum-doped zinc oxide electrodes can be a cost-effective alternative to expensive electrodes for removing refractory and emergent contaminants from industrial wastewaters. The performance of the electrodes is influenced by the nature of the alumina precursors and sintering treatment, with colloidal alumina allowing for slightly lower resistivity values within a narrower working interval.

BOLETIN DE LA SOCIEDAD ESPANOLA DE CERAMICA Y VIDRIO (2021)

Article Computer Science, Interdisciplinary Applications

DScribe: Library of descriptors for machine learning in materials science

Lauri Himanen et al.

COMPUTER PHYSICS COMMUNICATIONS (2020)

Article Materials Science, Multidisciplinary

Study of thermodynamic properties of U1-yPuyO2 MOX fuel using classical molecular Monte Carlo simulations

Cyrille Takoukam-Takoundjou et al.

JOURNAL OF NUCLEAR MATERIALS (2020)

Proceedings Paper Materials Science, Multidisciplinary

Estimation of Thermodynamic Properties of Sodium Magnesium Silicates by the Polyhedron Method

Zhongping Zhu et al.

11TH INTERNATIONAL SYMPOSIUM ON HIGH-TEMPERATURE METALLURGICAL PROCESSING (2020)

Article Thermodynamics

Estimation of thermodynamic properties of oxide compounds from polyhedron method

Ting Wu et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2017)

Article Thermodynamics

FactSage thermochemical software and databases, 2010-2016

C. W. Bale et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2016)

Review Green & Sustainable Science & Technology

Recovery of Rare Earths and Other Valuable Metals From Bauxite Residue (Red Mud): A Review

Chenna Rao Borra et al.

JOURNAL OF SUSTAINABLE METALLURGY (2016)

Article Engineering, Mechanical

Microstructure and Properties of the Composites: Hydroxyapatite With Addition of Zirconia Phase

Agata Dudek

JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME (2011)

Article Thermodynamics

THERMO-CALC & DICTRA, computational tools for materials science

JO Andersson et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2002)