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 combust...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.展开更多
In our previous work,anisotropic chemical bonding,low shear deformation resistance,damage tolerance ability,low thermal conductivity,and moderate thermal expansion coefficient of Y_(4)Al_(2)O_(9)(YAM)were predicted.In...In our previous work,anisotropic chemical bonding,low shear deformation resistance,damage tolerance ability,low thermal conductivity,and moderate thermal expansion coefficient of Y_(4)Al_(2)O_(9)(YAM)were predicted.In this work,phase-pure YAM powders were synthesized by solid-state reaction between Y2O3 and Al_(2)O_(3)and bulk YAM ceramics were prepared by hot-pressing method.Lattice parameters and a new set of X-ray powder diffraction data were obtained by Rietveld refinement.The mechanical and thermal properties of dense YAM ceramics were investigated.The measured elastic moduli are close to the theoretical predicted values and the stiffness can be maintained up to 1400℃.The flexural strength and fracture toughness are 252.1±7.3 MPa and 3.36±0.20 MPa·m^(1/2),respectively.Damage tolerance of YAM was also experimentally proved.The measured average linear thermal expansion coefficient(TEC)of YAM is 7.37×10^(-6)K^(-1),which is very close to the theoretical predicted value.Using high-temperature X-ray diffraction(XRD)analysis,volumetric TEC is determined(23.37±1.61)×10^(-6)K^(-1)and the anisotropic TEC areaa=7.34×10^(-6)K^(-1),ab=7.54×10^(-6)K^(-1),andac=7.61×10^(-6)K^(-1).展开更多
Mo2AlB2 is a new MAB phase that has been observed in thin foils of Mo Al B during TEM observation and in Na OH etched Mo Al B samples. However, the structural characteristics, chemical bonding and properties of this n...Mo2AlB2 is a new MAB phase that has been observed in thin foils of Mo Al B during TEM observation and in Na OH etched Mo Al B samples. However, the structural characteristics, chemical bonding and properties of this new compound have not been investigated. In this work, geometry optimized crystal structure of Mo2AlB2 is obtained and its stability, elastic and thermal dynamic properties are investigated. Mo2AlB2 is stable in Al lean conditions, which is consistent with the exiting experimental results. It is also gauged as a damage tolerant or quasi-ductile ceramic based on the low Pugh’s shear to bulk modulus ratio(G/B = 0.544) and positive Cauchy pressure in all three crystallographic directions, which is underpinned by the metallic bonding. Mo2AlB2 also exhibits high stiffness which is attributed to the strong B–B covalent bond chains within its crystal structure. Due to the anisotropic chemical bonding, Mo2AlB2 has anisotropic thermal expansion coefficients αa= 6.19 × 10^–6 K1, αb= 12.13 × 10^-6 K^–1, αc= 6.66 × 10^-6 K^–1,respectively, along a, b and c directions in the temperature range between 300 and 1500 K. The heat capacity from 300 to 1500 K can be described as Cp= 120.32 + 0.01648 T-2.597 × 10^6 T^-2(J·mol^–1·K^–1).The elastic constants decrease almost linearly with temperature. The elastic constants representing the resistance to principle deformation(c11, c22 and c33) decrease in faster rates than those representing shear deformation resistance(c44, c55 and c66). Correspondingly, bulk and Young’s modulus decrease in faster rates than shear modulus. In light of the structure-property relations of Mo2AlB2, it is suggested that future damage tolerant ceramics can be designed by putting stiff covalent bonding units into soft metallic bonding box to obtain both high stiffness and quasi-ductility.展开更多
A novel class of high-entropy rare-earth metal diborodicarbide(Y_(0.2)5 Yb_(0.25)Dy_(0.25)Er_(0.25))B_(2)C_(2)(HE-REB_(2)C_(2))ceramics was successfully fabricated using the in-situ reactive spark plasma sintering(SPS...A novel class of high-entropy rare-earth metal diborodicarbide(Y_(0.2)5 Yb_(0.25)Dy_(0.25)Er_(0.25))B_(2)C_(2)(HE-REB_(2)C_(2))ceramics was successfully fabricated using the in-situ reactive spark plasma sintering(SPS)technology for the first time.Single solid solution with a typical tetragonal structure was formed,having a homogeneous distribution of four rare-earth elements,such as Y,Yb,Dy,and Er.Coefficients of thermal expansion(CTEs)along the a and c directions(aa and ac)were determined to be 4.18 and 16.06μK^(-1),respectively.Thermal expansion anisotropy of the as-obtained HE-REB_(2)C_(2)was attributed to anisotropy of the crystal structure of HE-REB_(2)C_(2).The thermal conductivity(k)of HE-REB_(2)C_(2)was 9.2±0.09 W·m^(-1)·K^(-1),which was lower than that of YB_(2)C_(2)(19.2±0.07 W·m^(-1)·K^(-1)),DyB_(2)C_(2)(11.90.06 W·m^(-1)·K^(-1)),and ErB_(2)C_(2)(12.10.03 W·m^(-1)·K^(-1)),due to high-entropy effect and sluggish diffusion effect of high-entropy ceramics(HECs).Furthermore,Vickers hardness of HE-REB_(2)C_(2)was slightly higher than that of REB_(2)C_(2)owing to the solid solution hardening mechanism of HECs.Typical nano-laminated fracture morphologies,such as kink boundaries,delamination,and slipping were observed at the tip of Vickers indents,suggesting ductile behavior of HE-REB_(2)C_(2).This newly investigated class of ductile HE-REB_(2)C_(2)ceramics expanded the family of HECs to diboridcarbide compounds,which can lead to more research works on high-entropy rare-earth diboridcarbides in the near future.展开更多
基金National Natural Science Foundation of China (52032011)State Key Laboratory of New Ceramic and Fine Processing Tsinghua University (KF 202007)Youth Fund of China Building Materials Academy (ZD-16)。
基金supported financially by the National Natural Science Foundation of China (Nos. U1435206 and 51672064)the Beijing Municipal Science & Technology Commission (No. D161100002416001)
文摘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.
基金supported by the National Outstanding Young Scientist Foundation for Y.C.Zhou under Grant No.59925208the National Natural Science Foundation of China under Grant Nos.50832008 and U1435206.
文摘In our previous work,anisotropic chemical bonding,low shear deformation resistance,damage tolerance ability,low thermal conductivity,and moderate thermal expansion coefficient of Y_(4)Al_(2)O_(9)(YAM)were predicted.In this work,phase-pure YAM powders were synthesized by solid-state reaction between Y2O3 and Al_(2)O_(3)and bulk YAM ceramics were prepared by hot-pressing method.Lattice parameters and a new set of X-ray powder diffraction data were obtained by Rietveld refinement.The mechanical and thermal properties of dense YAM ceramics were investigated.The measured elastic moduli are close to the theoretical predicted values and the stiffness can be maintained up to 1400℃.The flexural strength and fracture toughness are 252.1±7.3 MPa and 3.36±0.20 MPa·m^(1/2),respectively.Damage tolerance of YAM was also experimentally proved.The measured average linear thermal expansion coefficient(TEC)of YAM is 7.37×10^(-6)K^(-1),which is very close to the theoretical predicted value.Using high-temperature X-ray diffraction(XRD)analysis,volumetric TEC is determined(23.37±1.61)×10^(-6)K^(-1)and the anisotropic TEC areaa=7.34×10^(-6)K^(-1),ab=7.54×10^(-6)K^(-1),andac=7.61×10^(-6)K^(-1).
基金supported financially by the National Natural Sciences Foundation of China (Nos. 51672064 and U1435206)
文摘Mo2AlB2 is a new MAB phase that has been observed in thin foils of Mo Al B during TEM observation and in Na OH etched Mo Al B samples. However, the structural characteristics, chemical bonding and properties of this new compound have not been investigated. In this work, geometry optimized crystal structure of Mo2AlB2 is obtained and its stability, elastic and thermal dynamic properties are investigated. Mo2AlB2 is stable in Al lean conditions, which is consistent with the exiting experimental results. It is also gauged as a damage tolerant or quasi-ductile ceramic based on the low Pugh’s shear to bulk modulus ratio(G/B = 0.544) and positive Cauchy pressure in all three crystallographic directions, which is underpinned by the metallic bonding. Mo2AlB2 also exhibits high stiffness which is attributed to the strong B–B covalent bond chains within its crystal structure. Due to the anisotropic chemical bonding, Mo2AlB2 has anisotropic thermal expansion coefficients αa= 6.19 × 10^–6 K1, αb= 12.13 × 10^-6 K^–1, αc= 6.66 × 10^-6 K^–1,respectively, along a, b and c directions in the temperature range between 300 and 1500 K. The heat capacity from 300 to 1500 K can be described as Cp= 120.32 + 0.01648 T-2.597 × 10^6 T^-2(J·mol^–1·K^–1).The elastic constants decrease almost linearly with temperature. The elastic constants representing the resistance to principle deformation(c11, c22 and c33) decrease in faster rates than those representing shear deformation resistance(c44, c55 and c66). Correspondingly, bulk and Young’s modulus decrease in faster rates than shear modulus. In light of the structure-property relations of Mo2AlB2, it is suggested that future damage tolerant ceramics can be designed by putting stiff covalent bonding units into soft metallic bonding box to obtain both high stiffness and quasi-ductility.
基金supported by the National Natural Science Foundation of China(Grant Nos.12275337 and 11975296)the Natural Science Foundation of Ningbo City(Grant No.2021J199)+1 种基金We would like to recognize the support from the Ningbo 3315 Innovative Teams Program,China(Grant No.2019A-14-C)Thanks for the financial support of Advanced Energy Science and Technology Guangdong Laboratory(Grant No.HND20TDTHGC00).
文摘A novel class of high-entropy rare-earth metal diborodicarbide(Y_(0.2)5 Yb_(0.25)Dy_(0.25)Er_(0.25))B_(2)C_(2)(HE-REB_(2)C_(2))ceramics was successfully fabricated using the in-situ reactive spark plasma sintering(SPS)technology for the first time.Single solid solution with a typical tetragonal structure was formed,having a homogeneous distribution of four rare-earth elements,such as Y,Yb,Dy,and Er.Coefficients of thermal expansion(CTEs)along the a and c directions(aa and ac)were determined to be 4.18 and 16.06μK^(-1),respectively.Thermal expansion anisotropy of the as-obtained HE-REB_(2)C_(2)was attributed to anisotropy of the crystal structure of HE-REB_(2)C_(2).The thermal conductivity(k)of HE-REB_(2)C_(2)was 9.2±0.09 W·m^(-1)·K^(-1),which was lower than that of YB_(2)C_(2)(19.2±0.07 W·m^(-1)·K^(-1)),DyB_(2)C_(2)(11.90.06 W·m^(-1)·K^(-1)),and ErB_(2)C_(2)(12.10.03 W·m^(-1)·K^(-1)),due to high-entropy effect and sluggish diffusion effect of high-entropy ceramics(HECs).Furthermore,Vickers hardness of HE-REB_(2)C_(2)was slightly higher than that of REB_(2)C_(2)owing to the solid solution hardening mechanism of HECs.Typical nano-laminated fracture morphologies,such as kink boundaries,delamination,and slipping were observed at the tip of Vickers indents,suggesting ductile behavior of HE-REB_(2)C_(2).This newly investigated class of ductile HE-REB_(2)C_(2)ceramics expanded the family of HECs to diboridcarbide compounds,which can lead to more research works on high-entropy rare-earth diboridcarbides in the near future.
