☆ 4.7 Article

Phase stability, mechanical and thermodynamic properties of (Hf, Zr, Ta, M)B2 (M= Nb, Ti, Cr, W) quaternary high-entropy diboride ceramics via first-principles calculations

CERAMICS INTERNATIONAL (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Crystallography

The Effect of Cr Additive on the Mechanical Properties of Ti-Al Intermetallics by First-Principles Calculations

Hui Wang et al.

Summary: The structure, elastic properties and electronic structure of Ti-Al intermetallics were studied by first-principles calculations. Ti-Al intermetallics can stably exist whether Cr replaces Ti or Al. Ductility of the alloy cannot be improved when Ti is replaced in Cr-doped TiAl and TiAl3, but it is improved when it replaces Al. In Ti3Al, ductility can be improved regardless of Cr replaces Ti or Al, with better effect when it replaces Al. The metal bond between Ti-Ti is strengthened and a solid metal bond is formed between Cr and Ti, inducing better ductility after Cr replaces Al in Ti-Al intermetallics.

CRYSTALS (2023)

添加到收藏夹

Article Materials Science, Multidisciplinary

Non-equimolar (Hf,Zr,Ta,W)B2 high-entropy diborides enable superior oxidation resistance

Zihao Wen et al.

Summary: We have developed non-equimolar (Hf,Zr,Ta,W)B-2 high-entropy diborides with superior oxidation resistance by adjusting W contents for the first time. The as-fabricated (Hf0.28Zr0.28Ta0.28W0.15)B-2 samples exhibit excellent oxidation resistance at 1473-1773 K, attributed to the effective inhibition of B2O3 volatilization by moderate WO3. The preferential oxidation of Hf and Zr elements and the different diffusion activation energies of oxide products result in a four-layered structure in the generated product layers at 1773 K.

SCIENCE CHINA-MATERIALS (2023)

添加到收藏夹

Article Materials Science, Ceramics

Multicomponent (Hf0.25Zr0.25Ti0.25Cr0.25)B2 ceramic modified SiC-Si composite coatings: In-situ synthesis and high-temperature oxidation behavior

Pei Zhang et al.

Summary: In this study, a novel high-entropy ceramic modified coating was deposited on C/C composites to enhance their oxidation resistance. The coating showed good adhesion to the substrate and significantly prolonged the oxidation protection time of C/C materials. Therefore, this coating has potential applications in improving the stability of C/C composites in high-temperature environments.

CERAMICS INTERNATIONAL (2022)

添加到收藏夹

Review Materials Science, Ceramics

Advances in ultra-high temperature ceramics, composites, and coatings

Dewei Ni et al.

Summary: Ultra-high temperature ceramics (UHTCs) have ultra-high melting points, outstanding mechanical properties, and ablation resistance at elevated temperatures, making them promising materials for structural applications in extreme environments such as rockets and hypersonic vehicles. The development of high-entropy UHTCs is an emerging direction for ultra-high temperature materials.

JOURNAL OF ADVANCED CERAMICS (2022)

添加到收藏夹

Article Chemistry, Physical

Stability, mechanical, and thermodynamic behaviors of (TiZrHfTaM)C (M = Nb, Mo, W, V, Cr) high-entropy carbide ceramics

Ping-Xia Zhang et al.

Summary: In this study, the stability, mixing behavior, mechanical, and temperature-dependent properties of multicomponent high entropy carbide ceramics (HECCs) were systematically investigated. It was found that one of the HECC materials exhibited better performance at different temperatures, providing instructive information for predicting and designing high-performance ultra-high temperature ceramic materials.

JOURNAL OF ALLOYS AND COMPOUNDS (2022)

添加到收藏夹

Article Materials Science, Ceramics

Toughening (NbTaZrW)C high-entropy carbide ceramic through Mo doping

Liu He et al.

Summary: In this study, we investigated the possibility of further hardening and/or toughening of the (NbTaZrW)C carbide through cation-site Mo doping. The results show that MoC has solubility in (NbTaZrW)C and when Mo content is below 10 at.%, the phase stability is increased due to the entropy effect outweighing the enthalpy effect. As Mo content increases, the sacrifice of hardening is much less pronounced in comparison with the achievement of toughening. The study demonstrates the potential for designing novel transition metal carbides with improved combination of hardness and toughness.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2022)

添加到收藏夹

Article Materials Science, Ceramics

Microstructures and oxidation mechanisms of (Zr0.2Hf0.2Ta0.2Nb0.2Ti0.2)B2 high-entropy ceramic

Ruru Guo et al.

Summary: The "Translation" section describes the synthesis of a nano dual-phase powder and the preparation of high-entropy ceramic using molten-salt assisted borothermal reductions. The oxidation behavior of the ceramic and the formation of a layered structure are also investigated, and a possible mechanism is proposed.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2022)

添加到收藏夹

Article Chemistry, Physical

Effects of Al and Ti co-doping on the strength-ductility- corrosion resistance of CoCrFeNi-AlTi high-entropy alloys

Wu Qi et al.

Summary: In this study, the synergistic effects of Al and Ti on CoCrFeNi(Al0.3Ti0.2)(x) high-entropy alloys were investigated. It was found that the addition of Al and Ti significantly improved the mechanical properties and corrosion resistance of the alloys, but excessive addition reduced the ductility. The precipitation of strengthening phases was also found to affect the corrosion resistance of the alloys.

JOURNAL OF ALLOYS AND COMPOUNDS (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

The lattice distortion, mechanical and thermodynamic properties of A (Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3 (A = Sr, Ba) high-entropy perovskite with B- site disorder: First principles prediction

Lin Shao et al.

Summary: This study investigated the local lattice distortion, mechanical, and thermodynamic properties of high-entropy perovskites A (Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3 (A = Sr, Ba) using first principle investigation. The results showed that B-site mixing enhances the toughness of the material at the expense of strength and stiffness. In addition, elastic moduli can be modified and adjusted through a multi-component design strategy.

MATERIALS & DESIGN (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

Theoretical predictions and experimental verification on the phase stability of enthalpy-stabilized HE TMREB 2 s

Ze Zhang et al.

Summary: This study utilizes first-principles calculations to construct a mixed enthalpy matrix to predict the single-phase formation ability of two-component diborides. The stability of high-entropy transition and rare-earth metal diborides is found to be dependent on the mixing enthalpy. Experimental results validate the potential of enthalpy-stabilized high-entropy transition and rare-earth metal diborides to expand the compositional space and enhance the properties of ultrahigh temperature ceramics.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

Evolution of the structure and properties of (Zr1-xHfx)B2 solid solution ceramics from first-principle theory

Wu Qi et al.

Summary: In this work, the properties of (Zr1-xHfx)B2 solid solution ceramics were studied using first-principles calculations. It was found that the addition of Hf can improve the mechanical properties and thermal conductivity of the ceramics, and the solid solution materials exhibit kinetic stability. This work provides an important theoretical framework for the development of solid solution diboride material systems with adjustable composition and properties.

VACUUM (2022)

添加到收藏夹

Article Chemistry, Physical

Thermophysical properties of high-density, sintered monoliths of yttrium dihydride in the range 373-773 K

A. P. Shivprasad et al.

Summary: Yttrium dihydride has been successfully prepared in high-density monoliths using powder metallurgical methods in this study. The measured and calculated physical properties of yttrium dihydride confirm the feasibility and high quality of this method for large-scale production.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

添加到收藏夹

Article Materials Science, Ceramics

Lattice distortion in high-entropy carbide ceramics from first-principles calculations

Shijun Zhao

Summary: The study found that in high-entropy ceramic carbides, carbon typically exhibits the most significant local lattice distortion, which helps stabilize the ceramic materials. Local distortion affects charge transfer, mechanical properties, and thermodynamic properties of HECs, making them soft and ductile with high strength.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2021)

添加到收藏夹

Article Materials Science, Ceramics

Effect of Nb content on the phase composition, densification, microstructure, and mechanical properties of high-entropy boride ceramics

Lun Feng et al.

Summary: Dense high-entropy (Hf,Zr,Ti,Ta,Nb)B-2 ceramics with Nb contents ranging from 0 to 20 at% were produced by a two-step spark plasma sintering process. X-ray diffraction showed a single-phase with hexagonal structure in compositions without Nb, while compositions containing Nb had two phases with slightly different lattice parameters. The addition of Nb resulted in a Nb-rich second phase, increased as Nb content increased, leading to decreased grain size and increased mechanical properties.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2021)

添加到收藏夹

Article Materials Science, Ceramics

Systematic study on mechanical and electronic properties of ternary VAlN TiAlN and WAlN systems by first-principles calculations

Lei Chen et al.

Summary: Transition-metal aluminium nitrides, widely used as protective coatings, have been found to exhibit superior mechanical properties in the hexagonal phase V0.5Al0.5N compared to the metastable cubic phase. The mechanical enhancement is attributed to the metallic-to-semiconductor transition and the strengthening of bonds between metal elements and N atoms in the hexagonal phase.

CERAMICS INTERNATIONAL (2021)

添加到收藏夹

Review Materials Science, Multidisciplinary

High-entropy ceramics: Review of principles, production and applications

Saeid Akrami et al.

Summary: High-entropy ceramics, containing five or more cations, have attracted significant attention recently for their superior properties in various structural and functional applications. Efforts have been made to increase entropy, minimize Gibbs free energy and achieve stable single-phase high-entropy ceramics. These materials have potential for future applications in fields such as oxides, nitrides, carbides, borides, and hydrides.

MATERIALS SCIENCE & ENGINEERING R-REPORTS (2021)

添加到收藏夹

Article Materials Science, Multidisciplinary

Pressure dependence of structural, elastic, electronic, thermodynamic, and optical properties of van der Waals-type NaSn2P2 pnictide superconductor: Insights from DFT study

F. Parvin et al.

Summary: NaSn2P2, with a vdW structure, is a recently discovered superconducting system with intriguing electrical, optical, thermal, and superconducting properties. Investigation under various pressures reveals unique structural, electronic, optical, and superconducting features, making NaSn2P2 suitable for optoelectronic device applications.

RESULTS IN PHYSICS (2021)

添加到收藏夹

Article Materials Science, Multidisciplinary

First principles study of the stability and thermal conductivity of novel Li-Be hybrid ceramics

G. D. Samolyuk et al.

Summary: Hybrid Li-Be ceramics, combining tritium breeder with neutron multiplier, offer a potential route towards better matching of thermal properties and overall fuel cycle performance. The compounds BeLi2O4Ge and BeLi2O4Si show promising stability and thermal transport properties compared to leading candidates for solid state breeder materials.

ACTA MATERIALIA (2021)

添加到收藏夹

Review Materials Science, Multidisciplinary

Selection, processing, properties and applications of ultra-high temperature ceramic matrix composites, UHTCMCs - a review

Jon Binner et al.

INTERNATIONAL MATERIALS REVIEWS (2020)

添加到收藏夹

Article Materials Science, Ceramics

Thermal conductivity and hardness of three single-phase high-entropy metal diborides fabricated by borocarbothermal reduction and spark plasma sintering

Joshua Gild et al.

CERAMICS INTERNATIONAL (2020)

添加到收藏夹

Article Materials Science, Ceramics

Thermal properties and performance of carbon fiber-based ultra-high temperature ceramic matrix composites (Cf-UHTCMCs)

Virtudes Rubio et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2020)

添加到收藏夹

Article Thermodynamics

Strong electron-phonon coupling induced anomalous phonon transport in ultrahigh temperature ceramics ZrB2 and TiB2

Jia-Yue Yang et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2020)

添加到收藏夹

Article Materials Science, Ceramics

Dissolving and stabilizing soft WB2 and MoB2 phases into high-entropy borides via boron-metals reactive sintering to attain higher hardness

Mingde Qin et al.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2020)

添加到收藏夹

Article Materials Science, Ceramics

A perspective on challenges and opportunities in developing high entropy-ultra high temperature ceramics

Ambreen Nisar et al.

CERAMICS INTERNATIONAL (2020)

添加到收藏夹

Article Materials Science, Ceramics

High-pressure sintering of ultrafine-grained high-entropy diboride ceramics

Mengdong Ma et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2020)

添加到收藏夹

Article Materials Science, Ceramics

Synthesis of medium-entropy (Zr1/3Hf1/3Ta1/3)B2 using the spark plasma consolidation of diboride powders

Dmytro Demirskyi et al.

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN (2020)

添加到收藏夹

Article Materials Science, Ceramics

Combustion synthesis of ultra-high-temperature materials based on (Hf,Ta) B2. Part 1: The mechanisms of combustion and structure formation

V. V. Kurbatkina et al.

CERAMICS INTERNATIONAL (2019)

添加到收藏夹

Article Physics, Applied

Simple and accurate model of fracture toughness of solids

Haiyang Niu et al.

JOURNAL OF APPLIED PHYSICS (2019)

添加到收藏夹

Article Materials Science, Multidisciplinary

Porous high entropy (Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)B2: A novel strategy towards making ultrahigh temperature ceramics thermal insulating

Heng Chen et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2019)

添加到收藏夹

Article Nanoscience & Nanotechnology

Corrosion-resistant high entropy alloy with high strength and ductility

S. S. Nene et al.

SCRIPTA MATERIALIA (2019)

添加到收藏夹

Article Materials Science, Multidisciplinary

Dense and pure high-entropy metal diboride ceramics sintered from self-synthesized powders via boro/carbothermal reduction approach

Junfeng Gu et al.

SCIENCE CHINA-MATERIALS (2019)

添加到收藏夹

Review Nanoscience & Nanotechnology

High-entropy alloys

Easo P. George et al.

NATURE REVIEWS MATERIALS (2019)

添加到收藏夹

Article Materials Science, Ceramics

Preparation and characterization of diboride-based high entropy (Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)B2-SiC particulate composites

Xiao-Qin Shen et al.

CERAMICS INTERNATIONAL (2019)

添加到收藏夹

Article Materials Science, Ceramics

Synthesis of high-purity high-entropy metal diboride powders by boro/carbothermal reduction

Da Liu et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2019)

添加到收藏夹

Review Chemistry, Physical

Review of high entropy ceramics: design, synthesis, structure and properties

Rui-Zhi Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

添加到收藏夹

Article Nuclear Science & Technology

Comparison of HfB2 and ZrB2 behaviors for using in nuclear industry

Mohammad Mehdi Nasseri

ANNALS OF NUCLEAR ENERGY (2018)

添加到收藏夹

Review Materials Science, Ceramics

Effects of carbon additives on the properties of ZrB2-based composites: A review

Mehdi Shahedi Asl et al.

CERAMICS INTERNATIONAL (2018)

添加到收藏夹

Article Chemistry, Physical

Alloying effect on phase stability, elastic and thermodynamic properties of Nb-Ti-V-Zr high entropy alloy

Mingqing Liao et al.

INTERMETALLICS (2018)

添加到收藏夹

Article Nanoscience & Nanotechnology

Ultra-high temperature ceramics: Materials for extreme environments

William G. Fahrenholtz et al.

SCRIPTA MATERIALIA (2017)

添加到收藏夹

Article Materials Science, Multidisciplinary

Phase stability, electronic structure and mechanical properties of IrBx (x=0.9, 1.1): First-principles calculations

Zhaobo Zhou et al.

COMPUTATIONAL MATERIALS SCIENCE (2016)

添加到收藏夹

Article Multidisciplinary Sciences

High-Entropy Metal Diborides: A New Class of High-Entropy Materials and a New Type of Ultrahigh Temperature Ceramics

Joshua Gild et al.

SCIENTIFIC REPORTS (2016)

添加到收藏夹

Article Materials Science, Ceramics

Ablation behavior and mechanism of SiCf/Cf/SiBCN ceramic composites with improved thermal shock resistance under oxyacetylene combustion flow

Bin Liang et al.

CERAMICS INTERNATIONAL (2015)

添加到收藏夹

Article Materials Science, Ceramics

Dynamic compression behavior of reactive spark plasma sintered ultrafine grained (Hf, Zr)B2-SiC composites

Bikramjit Basu et al.

CERAMICS INTERNATIONAL (2015)

添加到收藏夹

Article Nanoscience & Nanotechnology

First principles phonon calculations in materials science

Atsushi Togo et al.

SCRIPTA MATERIALIA (2015)

添加到收藏夹

Article Materials Science, Multidisciplinary

Necessary and sufficient elastic stability conditions in various crystal systems

Felix Mouhat et al.

PHYSICAL REVIEW B (2014)

添加到收藏夹

Article Thermodynamics

Efficient stochastic generation of special quasirandom structures

A. van de Walle et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2013)

添加到收藏夹

Article Materials Science, Multidisciplinary

Microscopic theory of hardness and design of novel superhard crystals

Yongjun Tian et al.

INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS (2012)

添加到收藏夹

Article Materials Science, Multidisciplinary

Prediction of high-entropy stabilized solid-solution in multi-component alloys

X. Yang et al.

MATERIALS CHEMISTRY AND PHYSICS (2012)

添加到收藏夹

Article Computer Science, Interdisciplinary Applications

GIBBS2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

A. Otero-de-la-Roza et al.

COMPUTER PHYSICS COMMUNICATIONS (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data

Koichi Momma et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)

添加到收藏夹

Article Materials Science, Ceramics

Oxidation behavior of hot pressed ZrB2-SiC and HfB2-SiC composites

Manab Mallik et al.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2011)

添加到收藏夹

Article Materials Science, Ceramics

Material property requirements for analysis and design of UHTC components in hypersonic applications

Thomas H. Squire et al.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2010)

添加到收藏夹

Article Nanoscience & Nanotechnology

The ideal strength of transition metal diborides TMB2 (TM = Ti, Zr, Hf): Plastic anisotropy and the role of prismatic slip

Xinghong Zhang et al.

SCRIPTA MATERIALIA (2010)

添加到收藏夹

Review Materials Science, Ceramics

Refractory diborides of zirconium and hafnium

William G. Fahrenholtz et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2007)

添加到收藏夹

Article Materials Science, Coatings & Films

Materials selection guidelines for low thermal conductivity thermal barrier coatings

DR Clarke

SURFACE & COATINGS TECHNOLOGY (2003)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.