4.7 Article

High-entropy monoborides: Towards superhard materials

Journal

SCRIPTA MATERIALIA
Volume 189, Issue -, Pages 101-105

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2020.08.018

Keywords

High-entropy ceramics; High-entropy monoborides; Reactive sintering; Vickers hardness; Superhard materials

Funding

  1. Office of Naval Research MURI program [0014-15-1-2863]

Ask authors/readers for more resources

Single-phase high-entropy monoborides (HEMBs) of the CrB prototype structure have been synthesized for the first time. Reactive spark plasma sintering of ball milled mixtures of elemental precursor powders produced bulk (V0.2Cr0.2Nb0.2Mo0.2Ta0.2)B, (V0.2Cr0.2Nb0.2Mo0.2W0.2)B, and (V0.2Cr0.2Nb0.2Ta0.2W0.2)B HEMS specimens of similar to 98.3-99.5% relative densities. Vickers hardness was measured to be similar to 22-26 GPa at an indentation load of 9.8 N and similar to 32-37 GPa at 0.98 N. In particular, the load-dependent hardness of (V0.2Cr0.2Nb0.2Mo0.2W0.2)B is higher than those of ternary (Ta0.5W0.5)B (already considered as superhard) and hardest reported high-entropy metal diborides, and on a par with the classical superhard boride WB4. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Materials Science, Multidisciplinary

Strong and ductile refractory high-entropy alloys with super formability

Cheng Zhang, Haoren Wang, Xinyi Wang, Qin Yu, Chaoyi Zhu, Mingjie Xu, Shiteng Zhao, Rui Kou, Xin Wang, Benjamin E. MacDonald, Roger C. Reed, Kenneth S. Vecchio, Penghui Cao, Timothy J. Rupert, Enrique J. Lavernia

Summary: A new class of non-equiatomic NbTaTi-based refractory high-entropy alloys (RHEAs) with excellent cold-workability and high strength at elevated temperatures has been reported. These RHEAs can be cold-rolled to a reduction of over 90% without any surface treatment or intermediate annealing. They also exhibit considerable ductility at cryogenic conditions, overcoming the traditional strength-ductility trade-off. This class of super-formable RHEAs provides a novel design pathway for energy- and time-saving fabrication of high-temperature structural materials.

ACTA MATERIALIA (2023)

Article Materials Science, Multidisciplinary

Strong and ductile FeNiCoAl-based high-entropy alloys for cryogenic to elevated temperature multifunctional applications

Cheng Zhang, Qin Yu, Yuanbo T. Tang, Mingjie Xu, Haoren Wang, Chaoyi Zhu, Jon Ell, Shiteng Zhao, Benjamin E. MacDonald, Penghui Cao, Julie M. Schoenung, Kenneth S. Vecchio, Roger C. Reed, Robert O. Ritchie, Enrique J. Lavernia

Summary: This research reports on a non-equiatomic, heterostructured high-entropy alloy FeNiCoAlTaB that exhibits remarkable combinations of mechanical properties across a wide temperature range. The alloy achieves its behavior by activating multiple individual mechanisms at different temperatures, providing a methodology for designing and fabricating multifunctional high-entropy alloys.

ACTA MATERIALIA (2023)

Article Chemistry, Inorganic & Nuclear

Unusual aliovalent doping effects on oxygen non-stoichiometry in medium-entropy compositionally complex perovskite oxides

Dawei Zhang, Jiyun Park, Boyuan Xu, Cijie Liu, Wei Li, Xingbo Liu, Yue Qi, Jian Luo

Summary: Aliovalent doping can adjust the formation energy of oxygen vacancies in perovskite oxides. This study investigates normal and abnormal aliovalent doping effects on redox behaviors in medium-entropy compositionally complex perovskite oxides, showing different trends in oxygen non-stoichiometry with respect to the molar ratio x. The abnormal observation is explained by the energy loss near edge structure (ELNES) analysis and density functional theory (DFT) calculations, revealing the oxidation states of different elements and their impact on oxygen vacancy formation energy.

DALTON TRANSACTIONS (2023)

Article Materials Science, Multidisciplinary

Electric Field-Induced Microstructural Evolution in Polycrystalline Bi2O3-Doped ZnO in Presence of a Secondary Liquid Phase

Qizhang Yan, Jian Luo

Summary: A series of electric field-induced microstructural evolution phenomena are observed in polycrystalline Bi2O3-doped ZnO, and the underlying mechanisms are revealed. The migration of bismuth (Bi) towards the negative electrode is driven by an applied electric field, which creates a Bi-free zone near the anode and forms a junction between ZnO and Bi2O3-doped ZnO, resulting in the generation of porosity and abnormal grain growth. The formation of three distinct types of grain boundaries (GBs) and the complex transitions between disordered and ordered GBs are observed using aberration-corrected electron microscopy.

ADVANCED ENGINEERING MATERIALS (2023)

Article Chemistry, Physical

Compositionally Complex Perovskite Oxides for Solar Thermochemical Water Splitting

Dawei Zhang, Hector A. De Santiago, Boyuan Xu, Cijie Liu, Jamie A. Trindell, Wei Li, Jiyun Park, Mark A. Rodriguez, Eric N. Coker, Joshua D. Sugar, Anthony H. McDaniel, Stephan Lany, Liang Ma, Yi Wang, Gregory Collins, Hanchen Tian, Wenyuan Li, Yue Qi, Xingbo Liu, Jian Luo

Summary: This study explores a new class of compositionally complex perovskite oxides as redox compounds for solar thermochemical hydrogen (STCH) generation. The compound (La0.8Sr0.2)(Mn0.2Fe0.2Co0.4Al0.2)O3 achieves an optimal thermodynamic and kinetic balance, leading to a maximum H2 production. The phase stability during redox cycling is maintained through entropy stabilization.

CHEMISTRY OF MATERIALS (2023)

Article Materials Science, Multidisciplinary

Refractory high-entropy nanoalloys with exceptional high-temperature stability and enhanced sinterability

Mingde Qin, Sashank Shivakumar, Jian Luo

Summary: This study achieved exceptional high-temperature stability and improved sinterability for TiNbMoTaW-based refractory high-entropy nanoalloys (RHENs). Bulk pellets of RHENs were fabricated through ball milling and spark plasma sintering, achieving high relative densities and small grain sizes. The addition of Ni promoted sintering while maintaining high-temperature stability against rapid grain growth in high-entropy TiNbMoTaW alloys.

JOURNAL OF MATERIALS SCIENCE (2023)

Article Materials Science, Ceramics

Thermodynamics of dual-phase compositionally complex ceramics: A case study of ultrahigh-entropy fluorite-bixbyite refractory oxides

Heidy Vega, Mingde Qin, Jian Luo

Summary: A set of compositionally complex refractory oxides containing various elements has been successfully fabricated, including both single-phase and dual-phase compositions. The dual-phase equilibria are governed by a thermodynamic relation, and the ratio of trivalent rare-earth cations in different phases depends on the ionic radius. These thermodynamic relations are crucial for designing dual-phase compositionally complex ceramics.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2023)

Article Nanoscience & Nanotechnology

Synthesis and evaluation of rocksalt structure (Mo, W) carbides via vanadium additions

Kevin Kaufmann, Emma Wenger, Kenneth Vecchio

Summary: The mechanical properties of rocksalt transition metal ceramics are strongly influenced by their valence electron concentration (VEC), with materials having VEC values between 9 and 10 generally exhibiting superior ductility and hardness. This study focuses on stabilizing Group-VIB carbides as room-temperature B1 structures through the addition of vanadium and correlating the VEC with nanoindentation measurements. The research thoroughly explores and verifies the minimum atom percent of vanadium required to form a single-phase B1 carbide using XRD, EDS, and EBSD techniques.

SCRIPTA MATERIALIA (2023)

Article Chemistry, Physical

Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides

Jiyun Park, Boyuan Xu, Jie Pan, Dawei Zhang, Stephan Lany, Xingbo Liu, Jian Luo, Yue Qi

Summary: Using binary and quaternary A-site mixed {A}FeO(3) as a model system, we found that as more cation types are mixed on the A-site, the cell lattice becomes more cubic-like but the local Fe-O octahedrons are more distorted. By comparing different statistical models with experiments, we showed that considering the oxygen vacancy formation energies (E-V(f)) distribution and the vacancy interactions is crucial for accurately predicting the oxygen nonstoichiometry (delta). The E-V(f) distribution, including both the average and the spread, can be optimized to improve delta delta in some hydrogen production levels for solar thermochemical hydrogen production.

NPJ COMPUTATIONAL MATERIALS (2023)

Article Materials Science, Multidisciplinary

High-entropy grain boundaries

Jian Luo, Naixie Zhou

Summary: As high-entropy alloys gain attention, the question of whether grain boundaries can also have high entropy arises. The concept of high-entropy grain boundaries as counterparts to high-entropy materials is discussed, emphasizing the specific thermodynamic characteristics they should possess. Using a segregation model, it is shown that both grain boundary and bulk high-entropy effects can reduce grain boundary energy with increasing temperature in multicomponent alloys, where the effective grain boundary entropy can increase with the number of components. The paper also discusses how high-entropy grain boundaries can stabilize nanocrystalline alloys at high temperatures through thermodynamic and kinetic effects.

COMMUNICATIONS MATERIALS (2023)

Article Nanoscience & Nanotechnology

Locally Saturated Ether-Based Electrolytes With Oxidative Stability For Li Metal Batteries Based on Li-Rich Cathodes

John Holoubek, Haodong Liu, Qizhang Yan, Zhaohui Wu, Bao Qiu, Minghao Zhang, Sicen Yu, Shen Wang, Jianbin Zhou, Tod A. Pascal, Jian Luo, Zhaoping Liu, Ying Shirley Meng, Ping Liu

Summary: This study demonstrates the reversible performance of a localized-high-concentration electrolyte (LHCE) based on ether solvents for Li||LMR batteries, improving the cycling performance and cathode-electrolyte interphase chemistry.

ACS APPLIED MATERIALS & INTERFACES (2023)

Article Materials Science, Multidisciplinary

Simultaneously improving mechanical and magnetic properties through heterogeneous lamella structures in a superalloy-like, soft magnetic complex concentrated alloy

Xiao Liu, Kenneth Vecchio

Summary: Heterogeneous lamella (HL) structures were created in a FeCoNi-based complex concentrated alloy (CCA) with superalloy-like FCC/L1(2) microstructure through simple processing steps. Compared to the homogeneous-structured control specimens, the HL-structured specimens exhibited simultaneous improvements in strength and ductility (with s(y) up to 1 GPa, s(u) up to 1.4 GPa, and e(t) up to 16.5%), along with higher saturation magnetization and lower coercivity (with M-s up to 104 Am-2 kg(-1) and H-c as low as 833 A/m). This study provides insights on enhancing the mechanical properties of structural soft magnetic materials without compromising their magnetic properties.

MATERIALS RESEARCH LETTERS (2023)

Article Multidisciplinary Sciences

Valence electron concentration as key parameter to control the fracture resistance of refractory high-entropy carbides

Davide G. Sangiovanni, Kevin Kaufmann, Kenneth Vecchio

Summary: High-entropy carbides (HECs) have attracted considerable interest due to their high hardness and tunable mechanical and physical properties. The resistance to fracture of refractory HECs is correlated with their valence electron concentration (VEC).

SCIENCE ADVANCES (2023)

Article Materials Science, Multidisciplinary

Long- and short-range orders in 10-component compositionally complex ceramics

Dawei Zhang, Yan Chen, Heidy Vega, Tianshi Feng, Dunji Yu, Michelle Everett, Joerg Neuefeind, Ke An, Renkun Chen, Jian Luo

Summary: Neutron diffraction and total scattering techniques were used to investigate a series of single-phase 10-component compositionally complex fluorite-based oxides (10CCFBOxNb). It was found that a long-range order-disorder transition occurred at x = 0.81 ± 0.01. Rietveld refinements of neutron diffraction patterns suggested that this transition was caused by the migration of oxygen anions. In addition, diffuse scattering was observed in Nb-rich compositions, indicating the presence of short-range order.

ADVANCED POWDER MATERIALS (2023)

Article Nanoscience & Nanotechnology

Discovery of Ni activated sintering of MoNbTaW predicted by a computed grain boundary diagram

Sashank Shivakumar, Keqi Song, Chunyang Wang, Tianjiao Lei, Huolin L. Xin, Timothy J. Rupert, Jian Luo

Summary: This study investigates the enhanced sintering effect of Ni addition in high-entropy alloy MoNbTaW. The experiments reveal complete grain boundary wetting above the bulk solidus line and suggest the presence of a liquid-like interfacial phase below the line. The calculated GB phase diagram predicts high-temperature GB disordering and rationalizes the observed Ni-activated sintering.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

High dielectric temperature stability in the relaxor ferroelectric thin films via using a multilayer heterostructure

Jie Zhang, Xiaoyang Chen, MingJian Ding, Jiaqiang Chen, Ping Yu

Summary: This study enhances the compositional inhomogeneity of relaxor ferroelectric thin films to improve their dielectric temperature stability. The prepared films exhibit a relatively high dielectric constant and a very low variation ratio of dielectric constant over a wide temperature range.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

A rational proton compensation strategy of polyaniline-MnO2 hybrid structure for promoting dual ion storage of Zn-ion battery

Xiaoyu Chen, Ranran Zhang, Hao Zou, Ling Li, Qiancheng Zhu, Wenming Zhang

Summary: Polyaniline-manganese dioxide composites exhibit high conductivity, long discharge platform, and stable circulation, and the specific capacity is increased by providing additional H+ ions to participate in the reaction.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

High-resolution reconstruction-based investigation of multi-scale lamellar microstructures by coupled crystal plasticity and in-situ experiment

Xutao Huang, Yinping Chen, Jianjun Wang, Gang Lu, Wenxin Wang, Zan Yao, Sixin Zhao, Yujie Liu, Qian Li

Summary: This study aims to establish a novel approach to better understand and predict the behavior of materials with multi-scale lamellar microstructures. High-resolution reconstruction and collaborative characterization methods are used to accurately represent the microstructure. The mechanical properties of pearlite are investigated using crystal plasticity simulation and in-situ scanning electron microscopy tensile testing. The results validate the reliability of the novel strategy.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Planar fault transformation and unfaulting of interstitial dislocation loops in irradiated L12-Ni3Al

Cheng Chen, Fanchao Meng, Jun Song

Summary: This study systematically investigated the unfaulting mechanism of single-layer interstitial dislocation loops in irradiated L12-Ni3Al. The unfaulting routes of the loops were uncovered and the symmetry breaking during the unfaulting processes was further elucidated. A continuum model was formulated to analyze the energetics of the loops and predict the unfaulting threshold.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

On the co-nucleation of adjoining twin pairs at grain boundaries in hexagonal close-packed materials

Darshan Bamney, Laurent Capolungo

Summary: This work investigates the formation of adjoining twin pairs (ATPs) at grain boundaries (GBs) in hexagonal close-packed (hcp) metals, focusing on the co-nucleation (CN) of pairs of deformation twins. A continuum defect mechanics model is proposed to study the energetic feasibility of CN of ATPs resulting from GB dislocation dissociation. The model reveals that CN is preferred over the nucleation of a single twin variant for low misorientation angle GBs. Further analysis considering GB character and twin system alignment suggests that CN events could be responsible for ATP formation even at low m' values.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Sharp/diffuse antiferroelectric-ferroelectric phase transition regulated by atomic displacement ordering

Bing Han, Zhengqian Fu, Guoxiang Zhao, Xuefeng Chen, Genshui Wang, Fangfang Xu

Summary: This study investigates the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition and reveals the evolution of atomic displacement ordering as the cause for the transition behavior changing from sharp to diffuse. The novel semi-ordered configuration results from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which leads to a diffuse AFE-FE transition while maintaining the switching field.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Size-effects in tensile fracture of rejuvenated and annealed metallic glass

Akib Jabed, Golden Kumar

Summary: This study demonstrates that cryogenic rejuvenation promotes homogeneous-like flow and increases ductility in metallic glass samples. Conversely, annealing has the opposite effect, resulting in a smoother fracture surface.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Heterogeneous distribution of isothermal ω precipitates prevents brittle fracture in aged β-Ti alloys

Xin Ji, Yan Chong, Satoshi Emura, Koichi Tsuchiya

Summary: A heterogeneous microstructure in Ti-15Mo-3Al alloy with heterogeneous distributions of Mo element and omega(iso) precipitates has achieved a four-fold increase in tensile ductility without a loss of tensile strength, by blocking the propagation of dislocation channels and preventing the formation of micro-cracks.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Machine-learning-aided density functional theory calculations of stacking fault energies in steel

Amit Samanta, Prasanna Balaprakash, Sylvie Aubry, Brian K. Lin

Summary: This study proposes a combined large-scale first principles approach with machine learning and materials informatics to quickly explore the chemistry-composition space of advanced high strength steels (AHSS). The distribution of aluminum and manganese atoms in iron is systematically explored using first principles calculations to investigate low stacking fault energy configurations. The use of an automated machine learning tool, DeepHyper, speeds up the computational process. The study provides insights into the distribution of aluminum and manganese atoms in systems containing stacking faults and their effects on the equilibrium distribution.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

A physics-constrained neural network for crystal plasticity modelling of FCC materials

Guowei Zhou, Yuanzhe Hu, Zizheng Cao, Myoung Gyu Lee, Dayong Li

Summary: In this work, a physics-constrained neural network is used to predict grain-level responses in FCC material by incorporating crystal plasticity theory. The key feature, shear strain rate of slip system, is identified based on crystal plasticity and incorporated into the loss function as physical constitutive equations. The introduction of physics constraints accelerates the convergence of the neural network model and improves prediction accuracy, especially for small-scale datasets. Transfer learning is performed to capture complex in-plane deformation of crystals with any initial orientations, including cyclic loading and arbitrary non-monotonic loading.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Lanthanum and tungsten co-doped ruthenium dioxide for fresh/sea-water alkaline hydrogen evolution reaction

Pengfei Yang, Qichang Li, Zhongying Wang, Yuxiao Gao, Wei Jin, Weiping Xiao, Lei Wang, Fusheng Liu, Zexing Wu

Summary: In this study, the HER performance of Ru-based catalysts is significantly improved through the dual-doping strategy. The obtained catalyst exhibits excellent performance in alkaline freshwater and alkaline seawater, and can be stably operated in a self-assembled overall water splitting electrolyzer.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Five-fold twin structures in sputter-deposited nickel alloy films

Ilias Bikmukhametov, Garritt J. Tucker, Gregory B. Thompson

Summary: Depositing a Ni-1at. % P film can facilitate the formation of multiple quintuple twin junctions, resulting in a five-fold twin structure and a pentagonal pyramid surface topology. The ability to control material structures offers opportunities for creating novel surface topologies, which can be used as arrays of field emitters or textured surfaces.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Explainable predictions of multi-component oxides enabled by attention-based neural networks

Zening Yang, Weiwei Sun, Zhengyu Sun, Mutian Zhang, Jin Yu, Yubin Wen

Summary: Multicomponent oxides (MCOs) have wide applications and accurately predicting their thermal expansion remains challenging. This study introduces an innovative attention-based deep learning model, which achieves improved performance by using two self-attention modules and demonstrates adaptability and interpretability.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Relating the combinatorial materials chip mapping to the glass-forming ability of bulk metallic glasses via diffraction peak width

Ze Liu, Cai Chen, Yuanxun Zhou, Lanting Zhang, Hong Wang

Summary: This study attempts to address the gap in cooling rates between thin film deposition and bulk metallic glass (BMG) casting by correlating the glass-forming range (GFR) determined from combinatorial materials chips (CMCs) with the glass-forming ability (GFA) of BMG. The results show that the full-width at half maximum (FWHM) of the first sharp diffraction peak (FSDP) is a good indicator of BMG GFA, and strong positive correlations between FWHM and the critical casting diameter (Dmax) are observed in various BMG systems. Furthermore, the Pearson correlation coefficients suggest possible similarities in the GFA natures of certain BMG pairs.

SCRIPTA MATERIALIA (2024)

Article Nanoscience & Nanotechnology

Effect of stacking fault energy on the thickness and density of annealing twins in recrystallized FCC medium and high-entropy alloys

Mike Schneider, Jean-Philippe Couzinie, Amin Shalabi, Farhad Ibrahimkhel, Alberto Ferrari, Fritz Koermann, Guillaume Laplanche

Summary: This work aims to predict the microstructure of recrystallized medium and high-entropy alloys, particularly the density and thickness of annealing twins. Through experiments and simulations, a database is provided for twin boundary engineering in alloy development. The results also support existing theories and empirical relationships.

SCRIPTA MATERIALIA (2024)