检索结果-南通市图书馆

Medium and high-entropy transition mental disilicides with improved infrared emissivity for thermal protection applications

引用

Journal of Materials science & technology 2023年第5期136卷 149-158页

作者： Juntao Song Yuan Cheng Huimin Xiang Fu-Zhi Dai Shun Dong Guiqing Chen Ping Hu Xinghong Zhang Wenbo Han Yanchun Zhou science and technology on advanced composite in Special Environments laboratory Harbin Institute of TechnologyHarbin 150080China science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China

Transition metal disilicides are widely used as heating elements and infrared emission coatings.However,the limited intrinsic infrared emissivity and high thermal conductivity are the main limitations to their applications as infrared emission coatings in the thermal protection system.To cope with these prob-lems,four medium and high-entropy transition metal disilicides,i.e.,(V_(0.25)Ta_(0.25)Mo_(0.25)W_(0.25))Si_(2)(ME-1),(Nb_(0.25)Ta_(0.25)Mo_(0.25)W_(0.25))Si_(2)(ME-2),(V_(0.2)Nb_(0.2)Ta_(0.2)Mo_(0.2)W_(0.2))Si_(2)(HE-1),and(Cr_(0.2)Nb_(0.2)Ta_(0.2)Mo_(0.2)W_(0.2))Si_(2)(HE-2),were designed and synthesized by spark plasma sintering method using transition metal binary disilicides as precursors.The introduction of multi-elements into transition metal disilicides not only im-proved the infrared emissivity but also reduced the electrical and thermal conductivity.Among them,(Cr_(0.2)Nb_(0.2)Ta_(0.2)Mo_(0.2)W_(0.2))Si_(2)(HE-2)had the lowest electrical conductivity of 3789 S cm-1,which is over one order of magnitude lower than that of MoSi_(2)(50000 S cm^(-1)),and total infrared emissivity of 0.42 at room temperature,which is nearly double of that of TaSi_(2).Benefiting from low electrical conductivity and phonon scattering due to lattice distortion,the medium and high-entropy transition metal disilicides also demonstrated a significant decline in thermal conductivity compared to their binary counterparts.Of all samples,HE-2 exhibited the lowest thermal conductivity of 6.4 W m^(−1)K^(−1).The high-entropy tran-sition metal disilicides also present excellent oxidation resistance at high temperatures.The improved infrared emissivity,reduced thermal conductivity,excellent oxidation resistance,and lower densities of these medium and high-entropy transition metal disilicides portend that they are promising as infrared emission coating materials for applications in thermal protection systems.

关键词： High-entropy ceramics Transition metal disilicides Electrical conductivity Infrared emissivity Thermal conductivity

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Regulating the formation ability and mechanical properties of high-entropy transition metal carbides by carbon stoichiometry

引用

Journal of Materials science & technology 2022年第26期121卷 181-189页

作者： Juntao Song Guiqing Chen Huimin Xiang Fuzhi Dai Shun Dong Wenbo Han Xinghong Zhang Yanchun Zhou science and technology on advanced composite in Special Environments laboratory Harbin Institute of TechnologyHarbin150080China science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing100076China

Tremendous efforts have been dedicated to promote the formation ability of high-entropy transition metal carbides.However,the majority of methods for the synthesis of high-entropy transition metal carbides still face the challenges of high temperature,low efficiency,additional longtime post-treatment and uncontrollable properties.To cope with these challenges,high-entropy transition metal carbides with regulatable carbon stoichiometry(HE TMC)were designed and synthesized,achieving improved ability for single phase solid solutions formation,promoting of sintering and controllable mechanical properties.Two typical composition series,i.e.,easily synthesized(ZrHfTaNb)C(ZHTNC)and difficultly synthesized(Zr_(0.25)Hf_(0.25)Ta_(0.25)Ti_(0.25))C(ZHTTC)are selected to demonstrate the promoting formation ability of single phase solid solutions from carbon stoichiometry deviations.Single phase high-entropy ZHTTC,which has been proven difficult in forming a single phase solid solution,can be prepared with the decrease of C/TM ratio under 2000℃;while the high-entropy ZHTNC,which has been proven easy in forming a single phase solid solution,can be synthesized at lower temperatures with the decrease of C/TM ratio.The synergistic effect of entropy stabilization and reduced chemical bond strength gaining from carbon stoichiometry deviations is responsible for the formation of single phase solid solutions and the promoted sintering of HE TMC.For example,the relative density of bulk(ZrHfTaNb)C(SPS-ZHTNC)increases from 90.98%to 94.25%with decreasing the C/TM atomic ratio from 0.9 to 0.74.More importantly,the room temperature flexural strength,fracture toughness and brittleness index of SPS-ZHTNCcan be tuned in the range of 384 MPa–419 MPa,4.41 MPam–4.73 MPamand 3.679μm–4.083μm,respectively.Thus,the HE TMCprepared by adjusting the ratio of carbon to refractory transition metal oxides have great potential for achieving low temperature synthesis,promoted sintering and tunable properties.

关键词： Carbon stoichiometry High-entropy ceramics Transition metal carbide Low temperature synthesis Tunable mechanical properties

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Segregation of solute atoms in ZrC grain boundaries and their effects on grain boundary strengths

引用

Journal of Materials science & technology 2022年第6期101卷 234-241页

作者： Fu-Zhi Dai Yinjie Sun Yixiao Ren Huimin Xiang Yanchun Zhou science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China

ZrC is a promising candidate for the application in ultra-high temperature regime due to its unique combination of excellent properties,such as high melting point,good chemical inertness and high temperature stability.The rapid decrease of strength at high temperatures,however,is one of the obstacles that impedes its practical services.Strengthening of grain boundaries by solute segregation is believed to be an effective way to improve its high temperature performance.Therefore,the segregation tendency of ten solid solute atoms,including Sc,Ti,V,Cr,Y,Nb,Mo,Hf,Ta,W,in Zr C grain boundaries,and the strengthening/weakening effects on grain boundaries due to segregation are investigated by first-principles calculations.The segregation tendency is found dominated by the size effect,which is confirmed by both a qualitative analysis and a quantitative approach based on support vector regression.It means that big atoms tend to segregate to grain boundary sites with local expansions,while small atoms tend to segregate to grain boundary sites with local compressions.Simulations on stress-strain responses indicate that segregation of small atoms(Ti,V,Cr,Nb,Ta,Mo,W)can usually improve grain boundary strengths by inducing compression strains to grain boundaries,even though there is also an exception.In contrast,segregation of Sc and Y will soften grain boundaries.The results reveal that strengthening of grain boundaries by solute segregation is a valuable avenue to enhance high temperature mechanical properties of ZrC,providing guidelines for further design of ZrC based materials.

关键词： ZrC Grain boundary Segregation Strength First-principles calculation Machine learning

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

M2M’AlB4（M = Mn, Fe, Co, M’ = Cr, Mo, W）: Theoretical predicted ordered MAB phases with Cr3AlB4 crystal structure

引用

Journal of Materials science & technology 2019年第7期35卷 1432-1438页

作者： Fu-Zhi Dai Huimin Xiang Yinjie Sun Yanchun Zhou science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials & Processing Technology

The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases have been discovered, which enriches the family of MAX phases, and opens a new window to tailor the properties of MAX phases and to develop new MXenes. In the present work, we explored possible ordered quaternary MAB phases with Cr3AlB4 structure(space group: Pmmm) by first-principles calculations. The predictions show that M2M’AlB4 phases with M = Mn, Fe, Co and M’ = Cr, Mo, W exhibit strong tendency of ordering, where M locates at 2t site(0.5, 0.5, z2t) and M’ locates at 1 g site(0, 0.5,0.5). The main driving force of ordering may be the differences in bonding strengths between Al and M elements. Analyses on chemical bonds reveal that bonding strengths increase following the order:Al-Mn < Al-Fe < Al-Co, which is consistent with the prediction that ordering tendency increases when M changes from Mn to Co, as derived from enthalpy differences. The ordered M2M’AlB4 phases with M =Mn or Fe are predicted ferromagnetic and ordered M2M’AlB4 phases display lower shear resistance and possibly better ductility in comparison to Cr3AlB4.

关键词： MAB phase Ordered structure First-principle calculations Cr3AlB4 Chemical bonds Ultrahigh temperature ceramics

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Y_5Si_3C and Y_3Si_2C_2: Theoretically predicted MAX phase like damage tolerant ceramics and promising interphase materials for SiC_f/SiC composites

引用

Journal of Materials science & technology 2019年第3期35卷 313-322页

作者： Yanchun Zhou Huimin Xiang Fu-Zhi Dai science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials & Processing Technology

Researching for interphase materials that can protect SiC fibers from oxygen and water vapor attacks has become one of the most important issues for the applications of SiC_f/SiC composites in high-temperature combustion environment. However, such kinds of interphase materials are not available yet. Herein,we report theoretically predicted properties of two promising interphase materials Y_5Si_3 C and Y_3Si_2C_2.Although crystallizing in different structures, they share the common features of layered structure,anisotropic chemical bonding, anisotropic electrical and mechanical properties, and low shear deformation resistance. The bulk moduli for Y_5Si_3C and Y_3Si_2C_2 are 78 and 93 GPa, respectively; while their shear moduli are 52 and 50GPa, respectively. The maximum to minimum Young's modulus ratios are1.44 for Y_5Si_3C and 3.27 for Y_3Si_2C_2. Based on the low shear deformation resistance and low Pugh's ratios(G/B = 0.666 forY_5Si_3C and 0.537 for Y_3Si_2C_2; G: shear modulus; B: bulk modulus), they are predicted as damage tolerant and soft ceramics with predicted Vickers hardness of 9.6 and 6.9 GPa, respectively.The cleavage plane and possible slip systems are(000 l) and(0001)[1120] and(1010)[0001] forY_5Si_3C,and those for Y_3Si_2C_2 are {h00} and(010)[101]. Since the oxidation products are water-vapor resistant Y2 Si2 O7, Y2 SiO5 and/or Y_2 O_3 upon oxidation, and the volume expansions are ca 140% and ca 26% for Y_5Si_3C and Y_3Si_2C_2, they are expected to seal the interfacial cracks in SiC_f/SiC composites. The unique combination of easy cleavage, low shear deformation resistance, volume expansions upon oxidation, and the resistance of the oxidation products to water vapor attack warrant them promising as interphase materials of SiC_f/SiC composites for water-vapor laden environment applications.

关键词： Y5Si3C Y3Si2C2 Interphase material Damage tolerant ceramics Electronic structure

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Secrets of high thermal emission of transition metal disilicides TMSi_(2)(TM=Ta,Mo)

引用

Journal of Materials science & technology 2021年第30期89卷 114-121页

作者： Huimin Xiang Fuzhi Dai Yanchun Zhou science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials and Processing TechnologyBeijing 100076China

TMSi_(2)(TM=Ta,Mo)are extensively used as thermal emissivity agents in high emission coatings due to their well-known"high"emissivity in infrared range.However,there is a paucity of the high temperature(HT)emissivity property of these two silicides.Moreover,room temperature(RT)spectrometer measurements have demonstrated that the emittance in infrared range of two silicides was considerably low.Therefore,providing critical HT data and satisfactory elucidation on the emission incompatibility of TMSi_(2)is eagerly needed.In this contribution,combining first principles calculations and Drude model,the reflectance spectra of TMSi_(2)were predicted at both RT and HT.Consistent with spectrometer measurements,the intrinsic emittance of silicides was relatively low in the entire investigated temperatures.To explain the incompatible emission behavior,two simplified models including the majority of high emissivity coating,SiO_(2),were proposed.Intriguingly,with SiO_(2)considered in simulations,no matter covered on the surface or blended in the composites,the emittance of the TMSi_(2)enhanced significantly.Our theoretical results demonstrate the non-negligible significance of oxides on the high temperature performance of silicides and provide the guidelines for improving the emission performance of silicides and searching for potential high emissivity agents.

关键词： Disilicide Optical properties Thermal emission First-principles calculations Drude model

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Grain boundary segregation induced strong UHTCs at elevated temperatures:A universal mechanism from conventional UHTCs to high entropy UHTCs

引用

Journal of Materials science & technology 2022年第28期123卷 26-33页

作者： Fu-Zhi Dai Bo Wen Yinjie Sun Yixiao Ren Huimin Xiang Yanchun Zhou science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China DP technology Beijing 100044China

Ultra-high temperature ceramics(UHTCs)exhibit a unique combination of excellent properties,including ultra-high melting point,excellent chemical stability,and good oxidation resistance,which make them promising candidates for aerospace and nuclear applications.However,the degradation of hightemperature strength is one of the main limitations for their ultra-high temperature applications.Thus,searching for mechanisms that can help to develop high-performance UHTCs with good high-temperature mechanical properties is urgently needed.To achieve this goal,grain boundary segregation of a series of carbides,including conventional,medium entropy,and high entropy transition metal carbides,i.e.,Zr_(0.95)W_(0.05)C,TiZrHfC_(3),ZrHfNbTaC_(4),TiZrHfNbTaC_(5),were studied by atomistic simulations with a fitted Deep Potential(DP),and the effects of segregation on grain boundary strength were emphasized.For all the studied carbides,grain boundary segregations are realized,which are dominated by the atomic size effect.In addition,tensile simulations indicate that grain boundaries(GBs)will usually be strengthened due to segregation.Our simulation results reveal that grain boundary segregation may be a universal mechanism in enhancing the high-temperature strength of both conventional UHTCs and medium/high entropy UHTCs,since GBs play a key role in controlling the fracture of UHTCs at elevated temperatures.

关键词： UHTCs High entropy ceramics Grain boundary segregation High-temperature strength Machine learning potential

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Temperature Dependent Thermal and Elastic Properties of High Entropy(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2):Molecular Dynamics Simulation by Deep Learning Potential

引用

Journal of Materials science & technology 2021年第13期72卷 8-15页

作者： Fu-Zhi Dai Yinjie Sun Bo Wen Huimin Xiang Yanchun Zhou science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing100076China

High entropy diborides are new categories of ultra-high temperature ceramics,which are believed promising candidates for applications in hypersonic vehicles.However,knowledge on high temperature thermal and mechanical properties of high entropy diborides is still lacking unit now.In this work,variations of thermal and elastic properties of high entropy(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2) with respect to temperature were predicted by molecular dynamics simulations.Firstly,a deep learning potential for Ti-Zr-Hf-Nb-Ta-B diboride system was fitted with its prediction error in energy and force respectively being 9.2 meV/atom and 208 meV/A,in comparison with first-principles calculations.Then,temperature dependent lattice constants,anisotropic thermal expansions,anisotropic phonon thermal conductivities,and elastic properties of high entropy(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2) from 0℃to 2400℃were evaluated,where the predicted room temperature values agree well with experimental measurements.In addition,intrinsic lattice distortions of(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2) were analyzed by displacements of atoms from their ideal positions,which are in an order of 10^(-3) A and one order of magnitude smaller than those in(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))C.It indicates that lattice distortions in(Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2))B_(2) is not so severe as expected.With the new paradigm of machine learning potential,deep insight into high entropy materials can be achieved in the future,since the chemical and structural complexly in high entropy materials can be well handled by machine learning potential.

关键词： High entropy diborides Machine learning potential Thermal properties Elastic properties Molecular dynamics

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

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

引用

Journal of Materials science & technology 2020年第8期36卷 168-174页

作者： Fu-Zhi Dai Bo Wen Yinjie Sun Huimin Xiang Yanchun Zhou science and technology on advanced functional composite laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing100076China

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.

关键词： High entropy ceramics Machine learning potential Thermal properties Mechanical properties Molecular dynamics Simulation

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Theoretical Investigation on Mechanical and Thermal Properties of a Promising Thermal Barrier Material:Yb_3Al_5O_(12)

引用

Journal of Materials science & technology 2014年第7期30卷 631-638页

作者： Yanchun Zhou Huimin Xiang Zhihai Feng Science and Technology of Advanced Functional Composite Laboratory Aerospace Research Institute of Materials and Processing Technology

An investigation on the mechanical and thermal properties of Yb3Al5O12 is conducted by a combination of first- principles calculations and chemical bond theory calculation. Density functional theory （DFT） computations were performed for the structural, mechanical, and thermal properties, and the results are confirmed by chemical bond theory. Based on the calculated equilibrium crystal structure, heterogeneous bonding nature is revealed. The full set of elastic constants and mechanical properties of Yb3Al5O12 are presented for the first time. The thermal expansion coefficient of Yb3Al5O12 is calculated to be 7.5 × 10^-6 K-1 by chemical bond theory. In addition, the minimum thermal conductivity of Yb3Al5O12 is estimated to be 1.22 W m-t K-1, and the origin of such low thermal conductivity is discussed. Our theoretical results highlight the potential of Yb3Al5O12 as a prospective thermal barrier coating material.

关键词： Thermal barrier coating Ytterbium aluminum garnet First principles calculations Chemical bond theory

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：