Synthesis,Microstructure,and Property of Cr_2AlC

Cr2AlC is an unusual layered ternary ceramic that combines the merits of both metals and ceramics. The salient properties of Cr2AlC are strongly related to its bonding characteristics and microstructures. Synthesis, microstructure, and property of Cr2AlC are reviewed in this paper. First, theoretical calculations and physical properties are introduced. Then, the processing of Cr2AlC ceramic in both bulk form and thin films and their basic mechanical properties are summarized. Atomic-scale characterizations of Cr2AlC, as well as the microstructural relationships among Cr2AlC, AlCr5, and AlCr2 were achieved using a series of transmission electron microscopy （TEM） techniques. Moreover, high-temperature oxidation and hot corrosion behaviors of Cr2AlC were investigated by means of thermogravimetric analysis, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, and TEM. Mechanism of the excellent high-temperature corrosion resistance of Cr2AlC is discussed based on systematic microstructural analyses. Finally, concise conclusions are drawn.

TEM Investigations on Layered Ternary Ceramics

Layered ternary ceramics represent a new class of solids that combine the merits of both metals and ceramics.These unique properties are strongly related to their layered crystal structures and microstructures. The combination of atomic-resolution Z-contrast scanning transmission electron microscopy （STEM） and transmission electron microscopy （TEM）, selected area electron diffraction （SAED）, convergent beam electron diffraction （CBED） represents a powerful method to link microstructures of materials to macroscopic properties, allowing layered ternary ceramics to be investigated in an unprecedented detail. Vicrostructural information obtained using TEM is useful in understanding the formation mechanism, layered stacking characteristics, and defect structures for layered ternary ceramics down to atomic-scale level; and thus provides insight into understanding the ＂Processing-Structure-Property＂ relationship of layered ternary ceramics. Transmission electron microscopic characterizations of layered ternary ceramics in Ti-Si-C, Ti-Al-C, Cr-Al-C, Zr-Al-C, Ta-Al-C and Ti-Al-N systems are reviewed.

Improvement on the Oxidation Resistance of a Ti_3Al Based Alloy by Cr1-xAl_xN (0≤x≤0.47) Coatings

Cr1-xAlxN coatings have been deposited on a Ti3Al based alloy by reactive sputtering method. The results of the isothermal oxidation test at 800-900℃ showed that Cr1-xAlxN coatings could remarkably reduce the oxidation rate of the alloy owing to the formation of Al2O3＋Cr2O3 mixture oxide scale on the surface of the coatings. No spallation of the coatings or oxide scales took place during the cyclic oxidation at 800℃. Ti was observed to diffuse into the coatings, the diffusion distance of which was very short, and the diffusion ability of it was proportional to the AI content in the coatings. Compared to Ti, Nb can diffuse much more easily through the whole coatings and oxide scales.

Effects of Vacuum Ultraviolet Radiation on Atomic Oxygen Erosion of Polysiloxane/SiO_2 Hybrid Coatings

Polysiloxane/SiO2 hybrid coatings have been prepared on Kapton films by a sol-gel process. The erosion resistance of polysiloxane/Si02 （20 wt pct） coating was evaluated by exposure tests of vacuum ultraviolet radiation （VUV） and atomic oxygen beam （AO） in a ground-based simulation facility. The experimental results indicate that this coating exhibits better AO resistance than pure polysiloxane coating. The erosion yield （Ey） of the polysiloxane/Si02 （20 wt pct） hybrid coating is about 10-27 cm3/atom, being one or two orders of magnitude lower than that of polysiloxane. VUV radiation can affect the erosion process greatly. Under simultaneous AO and VUV exposure, the value of Ey of the polysiloxane/5iO2 （20 wt pct） hybrid coating increases by 3g% compared with that under single AO exposure.

Improved damage tolerance and oxidation resistance of (Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2)–SiC by introducing chopped carbon fibers

High-entropy diborides(HEBs)are considered as promising high-temperature structure materials owing to their high melting point and excellent thermal stability.However,the intrinsic brittleness is the main obstacle that seriously limits their practical applications.To overcome with this obstacle,carbon fibers(Cf)with outstanding mechanical properties are used in the present work as a first attempt to improve the damage tolerance of HEBs.The as-prepared C_(f)/(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2)–SiC composite(C_(f)/HEB–SiC)shows high relative density(97.9%)and good mechanical properties with flexural strength of 411±3 MPa and fracture toughness of 6.15±0.11 MPa·m^(1/2).More importantly,the damage tolerance parameter(Dt)has increased from 0.10 m^(1/2) for HEB–SiC to 0.29 m^(1/2) for C_(f)/HEB–SiC.Through microstructural analysis and Vickers indentation of the composite,the toughening mechanisms are disclosed.The carbon fibers coated with carbon coatings demonstrate unique capacity for prolonging the crack propagation path,which promotes the reliability of the composite effectively.Moreover,the C_(f)/(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2)–SiC composite also exhibits good static oxidation resistance in the temperature range of 1100–1500℃in air due to the formation of the protective oxide layer constituting of multicomponent oxides(Zr)HfTiO4 and(Zr)Hf_(6)Ta_(2)O_(17) embedded in a continuous SiO_(2) glass.These results are promising,and this primary work can be used as a reference to the synthesis of C_(f)/HEBs for thermal protection materials under hightemperature serving conditions.

Microstructure,elastic/mechanical and thermal properties of CrTaO_(4):A new thermal barrier material?

CrTaO_(4)(or Cr_(0.5)Ta_(0.5)O_(2))has been unexpectedly found to play a decisive role in improving the oxidation resistance of Cr and Ta-containing refractory high-entropy alloys(RHEAs).This rarely encountered complex oxide can effectively prevent the outward diffusion of metal cations from the RHEAs.Moreover,the oxidation kinetics of CrTaO_(4)-forming RHEAs is comparable to that of the well-known oxidation resistant Cr_(2)O_(3)-and Al_(2)O_(3)-forming Ni-based superalloys.However,CrTaO_(4)has been ignored and its mechanical and thermal properties have yet to be studied.To fill this research gap and explore the untapped potential for its applications,here we report for the first time the microstructure,mechanical and thermal properties of CrTaO_(4)prepared by hot-press sintering of solid-state reaction synthesized powders.Using the HAADF and ABF-STEM techniques,rutile crystal structure was confirmed and short range ordering was directly observed.In addition,segregation of Ta and Cr was identified.Intriguingly,CrTaO_(4)exhibits elastic/mechanical properties similar to those of yttria stabilized zirconia(YSZ)with Young’s modulus,shear modulus,and bulk modulus of 268,107,and 181 GPa,respectively,and Vickers hardness,flexural strength,and fracture toughness of 12.2±0.44 GPa,142±14 MPa,and 1.87±0.074 MPa·m^(1/2).The analogous elastic/mechanical properties of CrTaO_(4)to those of YSZ has spurred inquiries to lucrative leverage it as a new thermal barrier material.The measured melting point of CrTaO_(4)is 2103±20 K.The anisotropic thermal expansion coefficients areα_(a)=(5.68±0.10)×10^(-6)K^(-1),α_(c)=(7.81±0.11)×10^(-6)K^(-1),with an average thermal expansion coefficient of(6.39±0.11)×10^(-6)K^(-1).The room temperature thermal conductivity of CrTaO_(4)is 1.31 W·m^(-1)·K^(-1)and declines to 0.66 W·m^(-1)·K^(-1)at 1473 K,which are lower than most of the currently well-known thermal barrier materials.From the perspective of matched thermal expansion coefficient,CrTaO_(4)pertains to an eligible thermal barrier material for refractory metals such as Ta,Nb,and RHEAs,and ultrahigh temperature ceramics.As such,this work not only provides fundamental microstructure,elastic/mechanical and thermal properties that are instructive for understanding the protectiveness displayed by CrTaO_(4)on top of RHEAs but also outreaches its untapped potential as a new thermal barrier material.

High-entropy rare earth stannate ceramics:Acid corrosion resistant radiative cooling materials with high atmospheric transparency window emissivity and high near-infrared solar reflectivity

In response to the development of the concepts of“carbon neutrality”and“carbon peak”,it is critical to developing materials with high near-infrared(NIR)solar reflectivity and high emissivity in the atmospheric transparency window(ATW;8–13μm)to advance zero energy consumption radiative cooling technology.To regulate emission and reflection properties,a series of high-entropy rare earth stannate ceramics(HE-RE_(2)Sn_(2)O_(7):(Y_(0.2)La_(0.2)Nd_(0.2)Eu_(0.2)Gd_(0.2))_(2)Sn_(2)O_(7),(Y_(0.2)La_(0.2)Sm_(0.2)Eu_(0.2)Lu_(0.2))_(2)Sn_(2)O_(7),and(Y_(0.2)La_(0.2)Gd_(0.2)Yb_(0.2)Lu_(0.2))_(2)Sn_(2)O_(7))with severe lattice distortion were prepared using a solid phase reaction followed by a pressureless sintering method for the first time.Lattice distortion is accomplished by introducing rare earth elements with different cation radii and mass.The as-synthesized HE-RE_(2)Sn_(2)O_(7)ceramics possess high ATW emissivity(91.38%–95.41%),high NIR solar reflectivity(92.74%–97.62%),low thermal conductivity(1.080–1.619 W·m^(−1)·K^(−1)),and excellent chemical stability.On the one hand,the lattice distortion intensifies the asymmetry of the structural unit to cause a notable alteration in the electric dipole moment,ultimately enlarging the ATW emissivity.On the other hand,by selecting difficult excitation elements,HE-RE_(2)Sn_(2)O_(7),which has a wide band gap(Eg),exhibits high NIR solar reflectivity.Hence,the multi-component design can effectively enhance radiative cooling ability of HE-RE_(2)Sn_(2)O_(7)and provide a novel strategy for developing radiative cooling materials.

Factors influencing synthesis and properties of MAX phases

MAX phases are a member of ternary carbide and nitride,with a layered crystal structure and a mixed nature of chemical bonds(covalent-ionic-metallic)that promote MAX phases embracing both ceramic and metal characteristics.As a result,MAX phase ceramics emerge with remarkable properties unique from other traditional ceramics.In this review,we focus on alternate processing approaches for MAX phases that are cost-effective and energy-saving.The MAX phase purity,formation of other unwanted phases,microstructure,and properties are influenced by many parameters during processing.Therefore,we highlight the effect of numerous factors,which alternately diminish the efficiency and performance of materials.Here,the impact of several parameters,such as starting materials,stoichiometric composition,temperature,pressure,particle size,porosity,microstructure,mechanical alloying,mechanical activation,ion irradiation,and doping,are summarized to reveal their influence on the synthesis and properties of MAX phases.The potential applications of MAX phases are considered for their development on a commercial scale toward the industry.

Advances on strategies for searching for next generation thermal barrier coating materials

Thermal barrier coating(TBC) materials play important roles in gas turbine engines to protect the Nibased super-alloys from the high temperature airflow damage. High melting point, ultra-low thermal conductivity, large thermal expansion coefficient, excellent damage tolerance and moderate mechanical properties are the main requirements of promising TBC materials. In order to improve the efficiency of jet and/or gas turbine engines, which is the key of improved thrust-to-weight ratios and the energysaving, significant efforts have been made on searching for enhanced TBC materials. Theoretically, density functional theory has been successfully used in scanning the structure and properties of materials, and at the same time predicting the mechanical and thermal properties of promising TBC materials for high and ultrahigh temperature applications, which are validated by subsequent experiments. Experimentally,doping and/or alloying are also widely applied to further decrease their thermal conductivities. Now, the strategy through combining theoretical calculations and experiments on searching for next generation thermal insulator materials is widely adopted. In this review, the common used techniques and the recent advantages on searching for promising TBC materials in both theory and experiments are summarized.

High-entropy ceramics:Present status,challenges,and a look forward

High-entropy ceramics (HECs) are solid solutions of inorganic compounds with one or more Wyckoff sites shared by equal or near-equal atomic ratios of multi-principal elements.Although in the infant stage,the emerging of this new family of materials has brought new opportunities for material design and property tailoring.Distinct from metals,the diversity in crystal structure and electronic structure of ceramics provides huge space for properties tuning through band structure engineering and phonon engineering.Aside from strengthening,hardening,and low thermal conductivity that have already been found in high-entropy alloys,new properties like colossal dielectric constant,super ionic conductivity,severe anisotropic thermal expansion coefficient,strong electromagnetic wave absorption,etc.,have been discovered in HECs.As a response to the rapid development in this nascent field,this article gives a comprehensive review on the structure features,theoretical methods for stability and property prediction,processing routes,novel properties,and prospective applications of HECs.The challenges on processing,characterization,and property predictions are also emphasized.Finally,future directions for new material exploration,novel processing,fundamental understanding,in-depth characterization,and database assessments are given.

High porosity and low thermal conductivity high entropy(Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2C

Porous ultra-high temperature ceramics(UHTCs)are promising for ultrahigh-temperature thermal insulation applications.However,the main limitations for their applications are the high thermal conductivity and densification of porous structure at high temperatures.In order to overcome these obstacles,herein,porous high entropy(Zr(0.2)Hf(0.2)Ti(0.2)Nb(0.2)Ta(0.2))C was prepared by a simple method combing in-situ reaction and partial sintering.Porous high entropy(Zr(0.2)Hf(0.2)Ti(0.2)Nb(0.2)Ta(0.2))C possesses homogeneous microstructure with grain size in the range of 100–500 nm and pore size in the range of 0.2–1μm,which exhibits high porosity of 80.99%,high compressive strength of 3.45 MPa,low room temperature thermal conductivity of 0.39 W·m^-1K^-1,low thermal diffusivity of 0.74 mm^2·s^-1and good high temperature stability.The combination of these properties renders porous high entropy(Zr(0.2)Hf(0.2)Ti(0.2)Nb(0.2)Ta(0.2))Cpromising as light-weight ultrahigh temperature thermal insulation materials.

High entropy(Yb0.25Y0.25Lu0.25Er0.25)2SiO5 with strong anisotropy in thermal expansion

A novel high entropy(HE) rare earth monosilicate(Yb0.25Y0.25Lu0.25Er0.252 SiO5 was synthesized by solid-state reaction method.X-ray diffraction and scanning electron microscopy analysis indicate that a single solid solution is formed with homogeneous distribution of rare-earth elements.HE(Yb0.25Y0.25Lu0.255 Er0.252 SiO5 exhibits excellent phase stability and anisotropy in thermal expansion.The coefficients of thermal expansion(CTEs) in three crystallographic directions are:αa=(2.57±0.07)×10^-6 K^-1,αb=(8.07±0.13)×10^-6 K^-1,αc=(9.98±0.10)×10^-6 K^-1.The strong anisotropy in thermal expansion is favorable in minimizing the coating/substrate mismatch if preferred orientation of HE(Yb0.25Y0.25Lu0.25Er0.252 SiO5 is controlled on either metal or ceramic substrate.

(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)PO4: A high-entropy rare-earth phosphate monazite ceramic with low thermal conductivity and good compatibility with Al2O3

Low thermal conductivity, matched thermal expansion coefficient and good compatibility are general requirements for the environmental/thermal barrier coatings(EBCs/TBCs) and interphases for Al2O3 f/Al2O3 composites. In this work, a novel high-entropy(HE) rare-earth phosphate monazite ceramic (La0.2Ce0.2Nd0.2Sm0.2Eu0.2)PO4 is designed and successfully synthesized. This new type of HE rare-earth phosphate monazite exhibits good chemical compatibility with Al2O3, without reaction with Al2O3 as high as 1600℃ in air. Moreover, the thermal expansion coefficient(TEC) of HE (La0.2Ce0.2Nd0.2Sm0.2Eu0.2)PO4(8.9 × 10^-6/℃ at 300–1000℃) is close to that of Al2O3. The thermal conductivity of HE (La0.2Ce0.2Nd0.2Sm0.2Eu0.2)PO4 at room temperature is as low as 2.08 W·m^-1·K^-1, which is about 42% lower than that of La PO4. Good chemical compatibility, close TEC to that of Al2O3, and low thermal conductivity indicate that HE (La0.2Ce0.2Nd0.2Sm0.2Eu0.2)PO4 is suitable as a candidate EBC/TBC material and an interphase for Al2O3 f/Al2O3 composites.

(Y0.25Yb0.25Er0.25Lu0.25)2(Zr0.5Hf0.5)2O7: A defective fluorite structured high entropy ceramic with low thermal conductivity and close thermal expansion coefficient to Al2O3

Al2O3f/Al2O3 ceramic matrix composites(CMC)are promising candidate materials of blades and combustor liners of future gas turbines in light of their higher temperature capability,higher environmental stability and oxidizing-free capacity[1–3].Nevertheless,grain growth,sintering and creep deformation at high operation temperatures are still serious problems for Al2O3f/Al2O3 ceramic matrix composites,which can lead to a reduction in the strength and damage tolerance[2].Moreover,Al2O3 can be corroded by the high temperature water vapor in combustion environments and yields volatile products,such as Al(OH)3[4].Consequently,environmental barrier coatings(EBCs)are necessary for Al2O3f/Al2O3 ceramic matrix composites,which can protect Al2O3f/Al2O3 CMC from high temperature and flowing combustion gas corrosion and thus increase the high temperature capability and the service life of components.

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

Transition metal diborides based ultrahigh temperature ceramics(UHTCs) are characterized by high melting point, high strength and hardness, and high electrical and thermal conductivity. The high thermal conductivity arises from both electronic and phonon contributions. Thus electronic and phonon contributions must be controlled simultaneously in reducing the thermal conductivity of transition metal diborides. In high entropy(HE) materials, both electrons and phonons are scattered such that the thermal conductivity can significantly be reduced, which opens a new window to design novel insulating materials. Inspired by the high entropy effect, porous HE(Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)B2 is designed in this work as a new thermal insulting ultrahigh temperature material and is synthesized by an in-situ thermal borocarbon reduction/partial sintering process. The porous HE(Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)B2 possesses high porosity of 75.67%, pore size of 0.3–1.2 μm, homogeneous microstructure with small grain size of 400–800 nm, which results in low room temperature thermal diffusivity and thermal conductivity of 0.74 mm2 s^-1 and 0.51 W m^-1K^-1, respectively. In addition, it exhibits high compressive strength of3.93 MPa. The combination of these properties indicates that exploring porous high entropy ceramics such as porous HE(Zr0.2Hf0.2Ti0.2Nb0.2Ta0.2)B2 is a novel strategy in making UHTCs thermal insulating.

(TiZrHf)P2O7: An equimolar multicomponent or high entropy ceramic with good thermal stability and low thermal conductivity

Zr P2O7 is a promising material for high temperature insulating applications. However, decomposition above 1400℃ is the bottleneck that limiting its application at high temperatures. To improve the thermal stability, a novel multicomponent equimolar solid solution(Ti Zr Hf)P2O7 was designed and successfully synthesized in this work inspired by high-entropy ceramic(HEC) concept. The as-synthesized(Ti Zr Hf)P2O7 exhibits good thermal stability, which is not decomposed after heating at 1550℃ for 3 h. It also shows lower thermal conductivity(0.78 W m^-1 K^-1) compared to the constituting metal pyrophosphates Ti P2O7, Zr P2O7 and Hf P2O7. The combination of high thermal stability and low thermal conductivity renders(Ti Zr Hf)P2O7 promising for high temperature thermal insulating applications.

Electromagnetic wave absorbing properties of TMCs(TM=Ti,Zr,Hf,Nb and Ta)and high entropy(Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)C

Electromagnetic wave(EMW)absorbing materials play a vital role in modern communication and information processing technologies to inhibit information leakage and prevent possible damages to environment and human bodies.Currently,most of EMW absorbing materials are either composites of two or more phases or in the form of nanosheets,nanowires or nanofibers in order to enhance the EMW absorption performance through dielectric loss,magnetic loss and dielectric/magnetic loss coupling.However,the combination of complex shapes/multi phases and nanosizes may compound the difficulties of materials processing,composition and interfaces control as well as performance maintenance during service.Thus,searching for single phase materials with good stability and superior EMW absorbing properties is appealing.To achieve this goal,the EMW absorbing properties of transition metal carbides TMCs(TM=Ti,Zr,Hf,Nb and Ta)and high entropy(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))C which belong to ultrahigh temperature ceramics,were investigated in this work.Due to the good electrical conductivity and splitting of d orbitals into lower energy t2glevel and higher energy eglevel in TMC6octahedral arrangement,TMCs(TM=Ti,Zr,Hf,Nb and Ta)exhibit good EMW absorbing properties.Especially,Hf C and Ta C exhibit superior EMW absorbing properties.The minimum reflection loss(RLmin)value of Hf C is-55.8 d B at 6.0 GHz with the thickness of 3.8 mm and the effective absorption bandwidth(E_(AB))is 6.0 GHz from 12.0 to 18.0 GHz at thickness of 1.9 mm;the RL_(minvalue)of Ta C reaches-41.1 d B at 16.2 GHz with a thickness of 2.0 mm and the EABis 6.1 GHz with a thickness of 2.2 mm.Intriguingly,the electromagnetic parameters,i.e.,complex permittivity and permeability are tunable by forming single phase solid solution or high entropy(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))C.The R_(Lminvalue)of high entropy(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))C is-38.5 d B at 9.5 GHz with the thickness of 1.9 mm,and the EABis 2.3 GHz(from 11.3 to 13.6 GHz)at thickness of 1.5 mm.The significance of this work is that it opens a new window to design single phase high performance EMW absorbing materials by dielectric/magnetic loss coupling through tuning the conductivity and crystal field splitting energy of d orbitals of transition metals in carbides,nitrides and possibly borides.

High entropy defective fluorite structured rare-earth niobates and tantalates for thermal barrier applications

Rare-earth tantalates and niobates(REjTaO7 and REjNbO7)have been considered as promising candidate thermal barrier coating(TBC)materials in next generation gas-turbine engines due to their ultra-low thermal conductivity and better thermal stability than yttria-stabilized zirconia(YSZ).However,the low Vickers hardness and toughness are the main shortcomings of RE;TaO-and REjNbOr that limit their applications as TBC materials.To increase the hardness,high entropy(Yu3Ybu3Er/3)sTaOr,(Y13YbnErns)NbO,and(Sm1/6Eu1/6Y 1/6Yb1/6Lu1/6Er1/6)3(Nb1/2Ta1/2)O7 are designed and synthesized in this study.These high entropy ceramics exhibit high Vickers hardness(10.912.0 GPa),close thermal expansion coefficients to that of single-principal-component RE3TaO,and RE;NbO,(7.9×10^-6-10.8×10-6 C-1 at room temperature),good phase stability,and good chemical compatibility with thermally grown Al2O3,which make them promising for applications as candidate TBC materials.

Theoretical prediction on thermal and mechanical properties of high entropy(Zr(0.2)Hf(0.2)Ti(0.2)Nb(0.2)Ta(0.2))C by deep learning potential

High entropy materials(HEMs, e.g. high entropy alloys, high entropy ceramics) have gained increasing interests due to the possibility that they can provide challenge properties unattainable by traditional materials. Though a large number of HEMs have emerged, there is still in lack of theoretical predictions and simulations on HEMs, which is probably caused by the chemical complexity of HEMs. In this work,we demonstrate that the machine learning potentials developed in recent years can overcome the complexity of HEMs, and serve as powerful theoretical tools to simulate HEMs. A deep learning potential(DLP) for high entropy(Zr(0.2) Hf(0.2) Ti(0.2) Nb(0.2) Ta(0.2))C is fitted with the prediction error in energy and force being 9.4 me V/atom and 217 me V/?, respectively. The reliability and generality of the DLP are affirmed,since it can accurately predict lattice parameters and elastic constants of mono-phase carbides TMC(TM = Ti, Zr, Hf, Nb and Ta). Lattice constants(increase from 4.5707 ? to 4.6727 ?), thermal expansion coefficients(increase from 7.85×10-6 K^(-1) to 10.58×10-6 K^(-1)), phonon thermal conductivities(decrease from 2.02 W·m-1·K^(-1) to 0.95 W·m-1·K^(-1)), and elastic properties of high entropy(Zr(0.2) Hf(0.2) Ti(0.2) Nb(0.2) Ta(0.2))C in temperature ranging from 0°C to 2400°C are predicted by molecular dynamics simulations. The predicted room temperature properties agree well with experimental measurements, indicating the high accuracy of the DLP. With introducing of machine learning potentials, many problems that are intractable by traditional methods can be handled now. It is hopeful that deep insight into HEMs can be obtained in the future by such powerful methods.

(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)2Zr2O7:A novel high-entropy ceramic with low thermal conductivity and sluggish grain growth rate

Fine grains and slow grain growth rate are beneficial to preventing the thermal stress-induced cracking and thermal conductivity increase of thermal barrier coatings.Inspired by the sluggish diffusion effect of high-entropy materials,a novel high-entropy(HE)rare-earth zirconate solid solution(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)2 Zr2 O7 was designed and successfully synthesized in this work.The as-synthesized(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)2 Zr2 O7 is phase-pure with homogeneous rare-earth element distribution.The thermal conductivity of as-synthesized(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)2 Zr2 O7 at room temperature is as low as 0.76 W m^-1 K^-1.Moreover,after being heated at 1500℃for 1-18 h,the average grain size of(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)2 Zr2 O7 only increases from 1.69μm to 3.92μm,while the average grain size of La2Zr2O7 increases from 1.96μm to 8.89μm.Low thermal conductivity and sluggish grain growth rate indicate that high-entropy(La0.2Ce0.2Nd0.2Sm0.2Eu0.2)2Zr2O7 is suitable for application as a thermal barrier coating material and it may possess good thermal stress-induced cracking resistance.