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1.
We generate a tetrahedrally coordinated amorphous boron nitride (BN) model by means of first principles molecular dynamics calculations and report its mechanical and electrical properties in detail. The amorphous configuration is almost free from chemical disorder and consists of about 20% coordination defects, similar to tetrahedral (diamond-like) amorphous carbon. Its theoretical band gap energy is about 2.0 eV, less than 4.85 eV estimated for cubic BN. The bulk modulus and Vickers hardness of tetrahedral amorphous BN are computed as 206 GPa and 28-35 GPa, respectively. Based on these findings, we propose that tetrahedral noncrystalline BN can serve as electronic and hard materials as well.  相似文献   

2.
《Ceramics International》2023,49(5):7341-7349
Understanding pressure-induced acoustic velocity-elasticity behavior has extraordinary significance in the fields of materials science and earth science. Herein, we used an advanced high-pressure high-temperature (HPHT) method to synthesize pure-phase β-Mo2C bulk ceramics. The sound velocity-elasticity behavior, thermodynamic properties, and mechanical behavior of the synthesized β-Mo2C ceramics were systematically investigated by in-situ high-pressure ultrasonic interferometry and theoretical calculations. The compressive and shear wave velocities, isothermal bulk modulus, shear modulus, Vickers hardness, fracture toughness, Debye temperature, and melting temperature of polycrystalline β-Mo2C exhibited a monotonic increase with increasing pressure. The experimental and calculation results showed that β-Mo2C had strong ductile behavior and was a ductile ceramic. Additionally, the temperature-hardness relationship of the as-synthesized polycrystalline β-Mo2C was investigated by in-situ high-temperature Vickers indentation measurements. The hardness of β-Mo2C gradually decreased with increasing temperature, and this ceramic still maintained a hardness as high as 12.3 GPa at 500 °C. These results suggest that the intrinsic mechanical and thermodynamic properties of β-Mo2C are dominated by its unique electronic structure and bonding mode.  相似文献   

3.
《Ceramics International》2015,41(6):7519-7528
Silicon carbide nanopowder was coated with amorphous alumina by atomic layer deposition (ALD), using trimethylaluminium Al(CH3)3 (TMA) and water as precursors. The ALD experiments were carried out at 300 °C, using variable cycle count or changing pulse times at constant cycle count. Depending on deposition conditions, hardness averaging at 14.8 GPa and corresponding reduced elastic modulus of 114 GPa were measured. Maximum hardness values and reduced moduli of elasticity reached 25–30 and 134–202 GPa, respectively, improving the mechanical properties of composites. Increased precursor flow had positive effect on mechanical properties – maximum values of hardness and elastic module reached 35–45 and 218–261 GPa, respectively. In the composites, the mechanical properties were improved compared to pure alumina films or silicon carbide and the brittleness characteristic of SiC particle tablets was decreased.  相似文献   

4.
The nanohardness (H) and microhardness (H M) of sodium borosilicate glasses with and without nanopores were studied. From nanoindentation measurements, along with the hardness H, the Young’s modulus E was derived. While both H and H M varied between ∼10 GPa and ∼7 GPa for the bulk glass, the values for nanoporous specimens were one order of magnitude lower at about 0.5 GPa. The Young’s moduli were found to be ∼82 GPa and ∼5 GPa for bulk and porous glasses, respectively. Cracks and pileups were observed, respectively, arising from microindents and nanoindents in the bulk glass, whereas none of them could be detected in the nanoporous material. The molecular structures of both glasses studied by X-ray diffraction are similar. The text was submitted by the authors in English.  相似文献   

5.
《Ceramics International》2022,48(2):1567-1573
MoAlB has been regarded as a promising high-temperature structural ceramic, but the strength and toughness are still insufficient in the practical application. In this work, MoAlB ceramic bulk with superior hardness, strength and toughness has been fabricated by adding 0.15 mol. % Si. The MoAlB-0.15Si bulk is composed of Si-doped MoAlB, Mo(Al, Si)2 and ultrafine Al2O3. The Vickers hardness ranges from 14.2 to 12.5 GPa with the tested load increasing from 10 to 200 N. The Vickers indentation remains the intact tetragonum in spite of the appearance of corner cracks, indicating the excellent damage tolerance. The flexural strength, fracture toughness and compressive strength of MoAlB-0.15Si are 518.46 MPa, 7.01 MPa m1/2 and 2.62 GPa, respectively, obviously superior to the present MoAlB polycrystalline bulk. Si doping, grain refinement, strengthening effect of ultrafine Al2O3 and phase transformation from Al8Mo3 to Mo(Al, Si)2 jointly account for the improvement of comprehensive properties of MoAlB bulk.  相似文献   

6.
The gel formed during alkali–silica reaction (ASR) can lead to cracking and deterioration of a concrete structure. The elastic properties of the ASR gel using X-ray absorption and Brillouin spectroscopy measurements are reported. X-ray absorption was used to determine the density of the gel as a function of pressure, and the result yields an isothermal bulk modulus of 33 ± 2 GPa. Brillouin spectroscopy was applied to measure isentropic bulk (24.9–34.0 GPa) and shear moduli (8.7–10.1 GPa) of the gel. The range of values obtained is attributed to the variable composition of samples that were collected under field conditions. Results suggested that amorphous silica becomes expanded and compressible as it absorbs water molecules and alkali ions. This could explain high gel migration rates through the complex pore structures in concrete.  相似文献   

7.
Mutual solubilities in crystalline phases in the system SiO2–GeO2 have been investigated up to 10 GPa pressure and 1500°C temperature, using a bulk composition of 50 mol% GeO2. Solid solution of up to 40 mol% GeO2 into the mineral quartz has been confirmed as well as solubility of Si into GeO2 rutile (argutite) and Ge into SiO2 rutile (stishovite) phases and limited Ge into coesite. Solubility of Ge in quartz is very high, and decreases with pressure, with the univariant quartz‐out reaction occurring near 3.4 GPa at 1200°C. The solubility of GeO2 in coesite is highest at 3.4 GPa (about 8 mol%) and decreases with increasing pressure. Significantly more extensive solubility than previously reported for the rutile phases has been found and measured in detail as a function of pressure and temperature. Extensive solubility of SiO2 in GeO2 is found in argutite at 1200°C, increasing strongly with pressure and reaching a maximum of 25.2 mol% SiO2 in GeO2 at 9 GPa. At this point coesite (ss) plus argutite (ss) react to form a stishovite phase with 18 mol% GeO2, and the mutual solubility in both phases decreases above this pressure. At 1500°C, similar solubilities are observed but the maximum SiO2 solubility in argutite of just over 25 mol% occurs near 10 GPa. All these solid solutions can be recovered to ambient temperature and pressure. Phase diagrams and unit cell information of the phases are presented here. Based on these results, a useful and industrially relevant, application for accurately measuring high pressure is suggested.  相似文献   

8.
Three phase boride and carbide ceramics were found to have remarkably high hardness values. Six different compositions were produced by hot pressing ternary mixtures of Group IVB transition metal diborides, SiC, and B4C. Vickers’ hardness at 9.8 N was ~31 GPa for a ceramic containing 70 vol% TiB2, 15 vol% SiC, and 15 vol% B4C, increasing to ~33 GPa for a ceramic containing equal volume fractions of the three constituents. Hardness values for the ceramics containing ZrB2 and HfB2 were ~30% and 20% lower than the corresponding TiB2 containing ceramics, respectively. Hardness values also increased as indentation load decreased due to the indentation size effect. At an indentation load of 0.49 N, the hardness of the previously reported ceramic containing equal volume fractions of TiB2, SiC and B4C was ~54 GPa, the highest of the ceramics in the present study and higher than the hardness values reported for so-called “superhard” ceramics at comparable indentation loads. The previously reported ceramic containing 70 vol% TiB2, 15 vol% SiC, and 15 vol% B4C also displayed the highest flexural strength of ~1.3 GPa and fracture toughness of 5.7 MPa·m1/2, decreasing to ~0.9 GPa and 4.5 MPa·m1/2 for a ceramic containing equal volume fractions of the constituents.  相似文献   

9.
Al5BO9 is a promising thermal sealing material for hypersonic vehicles due to its low density, theoretically predicted low shear modulus, and low thermal conductivity. However, experimental investigations on the mechanical and thermal properties of bulk Al5BO9 have not been carried out. Herein, we report the mechanical and thermal properties of bulk Al5BO9 prepared by spark plasma sintering of solid-state reaction synthesized Al5BO9 powders. The bulk (B), shear (G), and Young's (E) moduli are 148 GPa, 85 GPa, and 214 GPa, respectively, which are close to the theoretical values. The Pugh's ratio G/B is 0.574, indicating its intrinsic damage tolerance, which is also revealed by Hertzian contact test. The Vickers hardness (Hv) is 10.8 GPa, being lower than mullite. The flexural strength, compressive strength, and fracture toughness are, respectively, 277 ± 35 MPa, 814 ± 75 MPa, and 2.4 ± 0.3 MPa·m1/2, which are close to those of mullite. Al5BO9 has anisotropic coefficient of thermal expansion (CTE) in three crystallographic directions, ie αa = (4.40 ± 0.21) × 10−6 K−1, αb = (7.11 ± 0.18) × 10−6 K−1, αc = (6.70 ± 0.29) × 10−6 K−1 from Debye temperature to 1473 K, which are underpinned by its structural feature, ie lower αa is resulted from the edge-shared AlO6 octahedron chains along the [100] direction. The average CTE is (6.05 ± 0.06) × 10−6 K−1. The thermal conductivity declines with temperature as κ = 1336.39/T + 1.97, consisting with predicted trend from Slack's model. The low thermal conductivity and low density guarantee Al5BO9 a promising candidate as ceramic wafer in the seal structure for hypersonic vehicles.  相似文献   

10.
《Ceramics International》2015,41(4):5239-5246
Transition metal carbides have unique physical and chemical properties and been widely used in engineering parts that need to work under high temperatures and pressures. o-Mo2C, h-Mo2C and t-Mo2C are three critical molybdenum carbides polymorphs while remaining are largely unknown in their mechanical anisotropy, hardness and thermal properties. In this work, we investigated systematically the mechanical and thermodynamic properties of these three candidate carbides using first principles calculations based on density functional theory. Our results showed that the bonds in these compounds were mainly of metallic and covalent type. The Gibbs free energy analysis showed thermodynamically stable structures for all the three carbides. Their shear moduli were estimated to range from 149.1 to 153.4 GPa and hardnesses were expected to be less than 20 GPa. Young׳s moduli were analyzed to have more anisotropic features than bulk modulus for all the three compounds. In addition, heat capacities were calculated to predominate by phonon excitations at high temperature but electron excitations at low temperatures near 0 K.  相似文献   

11.
The elastic, magnetic, electrical, and thermodynamic properties of bulk polycrystalline Fe2AlB2 are reported, with further theoretical insights provided through first-principles calculations. DFT simulations, along with an appropriate empirical method to treat magnetic contributions, reproduce well the experimental heat capacity, phonon thermal conductivity, and thermal expansion. The shear, Young's and bulk moduli all decrease linearly from 107.7, 264.5, and 162.4 GPa at 298 K to 91.4, 227.7, and 149.6 GPa at 1273 K, respectively, while the Poisson's ratio shows a weak dependence on temperature, hovering around 0.23-0.26. The mechanical damping, Q−1, is found to be a weak function of temperature up to 973 K, but above this temperature increases sharply, peaking at a specific temperature that becomes higher with increasing resonant frequency. The phonon contribution plays a dominant role in the measured heat capacity from 4.2 to 1000 K, while the magnetic contribution becomes significant around the Curie temperature (301 K). The electronic contribution increases with temperature above 100 K. Furthermore, the standard enthalpy, entropy, and Gibbs free energy are calculated as 16.60 kJ/mol, 92.92 J/(mol·K) and −11.09 kJ/mol, respectively. The thermal conductivity increases linearly with increasing temperature from RT to 1173 K, up to around 13.0 W/(m·K) at 1323 K after hovering at around 7.8 W/(m·K) in the low-temperature range. The electrons play a dominant role in heat conduction, while the phonons contribute only a little to the thermal conductivity. The dilatometric coefficient of thermal expansion of Fe2AlB2 is measured as 13.5 × 10−6 K−1 in the temperature range RT-1348 K.  相似文献   

12.
Zirconium titanate, ZrTiO4, is a well known compound in the field of electroceramics. Furthermore, it shows a large potential as structural material for thermal shock resistance applications, since it presents crystallographic anisotropy in thermal expansion. However, there is no information in the current literature about its thermomechanical behaviour. In this work, single phase zirconium titanate bulk materials have been prepared from well dispersed ZrO2 and TiO2 mixed suspensions, combining reaction and conventional sintering processes. The crystal structures of ZrTiO4 have been studied by the Rietveld method for bulk samples. The structural evolution upon the cooling rate has been unravel, as the b-axis strongly decreases for slow cooled samples when compared to quenched materials. For the first time apparent Young's modulus (≈130 GPa) and Vickers hardness (≈8 GPa) values of a fully dense single phase zirconium titanate material have been evaluated and its potential for thermal shock applications has been analysed in comparison with other thermal shock resistant materials.  相似文献   

13.
In this work, the fabrication of bulk TiC0.7/TiB2 nanostructured composites through metastable transformation processing is investigated by taking advantages of two non-conventional powder metallurgy methods. First, the highly metastable TiC0.7/TiB2 agglomerated powders are synthesized by the so-called self-propagating high-temperature synthesis (SHS), followed by rapid quenching. Then, the spark plasma sintering (SPS) method is adopted to consolidate the SHSed powders.A bulk ceramic composite with nanocrystalline microstructure characterized by a high-relative density is then obtained. Dwell temperature of 1400 °C, heating time of 3 min, and total processing time equal to 5 min, while applying a mechanical pressure of 20 MPa, are found to be the optimal SPS experimental conditions in order to obtain near-fully densified samples.The obtained TiC0.7/TiB2 samples exhibit hardness HV5 as high as 24 GPa, modulus of elasticity of about 400 GPa, fracture toughness of about 5.6 MPa m1/2, and a compressive strength of about 2.9 GPa. A very low-wear rate (Wv = 3.8 × 10−6 mm3/(N m)) and a good thermal shock resistance (ΔTc = 250 °C) are also displayed. In addition, a high-abrasive wear factor (AWF) equal to 1.84 is evaluated on the basis of the achieved mechanical properties. These results make the obtained TiC0.7/TiB2 composite suitable for wear resistant parts as well as cutting tool materials.  相似文献   

14.
《Ceramics International》2022,48(12):16778-16791
The structural and mechanical properties of ScB2 and Sc0.5TM0.5B2 (TM = Ti, V, Zr) alloys are investigated in the pressure range of 0–150 GPa based on density functional theory. The ground state structures of ScB2 are screened out by structural substitution, and the P6/mmm is determined as the initial structure of alloying research according to structural stability. The structures of alloy generation and recognition (SAGAR) code combined with first-principles calculations selected the stable structures of Sc0.5TM0.5B2 (TM = Ti, V) and Sc0.5Zr0.5B2 alloys as ordered structure types Ⅰ and Ⅱ, respectively. The formation enthalpy, phonon dispersion and elastic constants demonstrate that Sc0.5TM0.5B2 (TM = Ti, V, Zr) alloys are thermodynamically, dynamically and mechanically stable. In the whole pressure range, the elastic moduli of Sc0.5TM0.5B2 (TM = Ti, V, Zr) increased significantly compared with ScB2. This indicates that the introduction of TM improves the mechanical properties of ScB2. The Vickers hardness (HV) of the ScB2 ground state is 42.4 GPa, and the HV of the Sc0.5TM0.5B2 (TM = Ti, V, Zr) alloys are increased to 47.8, 50.3 and 44.8 GPa, respectively. The electronic structures and chemical bonding reveal that the Sc0.5TM0.5B2 (TM = Ti, V, Zr) alloys have stronger B–B, B–TM covalent bonds, charge interaction, and higher valence electron density, which significantly improves the hardness. The results show that ScB2 and Sc0.5TM0.5B2 (TM = Ti, V, Zr) alloys are potential superhard multifunctional materials.  相似文献   

15.
Polymer-derived ceramics exhibit a convenient route for the processing of low-dimensional ceramics like coatings or fibres. In previous investigations unfilled and composite coatings have been developed using ammonolysed bis(dichloromethylsilyl)ethane (ABSE) or perhydropolysilazane (PHPS) as precursors and BN, ZrO2 or glass particles as filler materials. The coating systems provide excellent corrosion and oxidation resistance to underlying metals. This paper reports on the effect of the precursor system and the pyrolysis parameters on the conversion behaviour, shrinkage and mechanical properties, including hardness and Young's modulus, of ABSE- and PHPS-based coatings. Therefore the crosslinking and pyrolysis behaviour as well as the mechanical properties of the coatings were investigated up to pyrolysis temperatures of 1000 °C in nitrogen and in air by ATR-IR, SEM, profilometry and nanoindentation measurements. The coatings pyrolysed at 1000 °C in nitrogen, have hardness values of 13 GPa and Young's moduli up to 155 GPa.  相似文献   

16.
Using hBN and pBN as starting materials, various types of binderless polycrystalline cBN (BL-PcBN) were synthesized in the pressure range of 8–20 GPa and temperature range of 1300–2400 °C, and their mechanical properties were evaluated. In the synthesis pressure range of 10 GPa and higher, the hardness of BL-PcBN showed a correlation not with the synthesis pressure, but with the synthesis temperature. Binderless polycrystalline cBN synthesized at about 2200 °C exhibited the highest mechanical properties, for both starting materials. Specifically, BL-PcBN(h) (100–300 nm grain size) synthesized from hBN at 10 GPa and 2200 °C showed a hardness of 45 GPa, transverse rupture strength of 1.6 GPa. In contrast, BL-PcBN(p) synthesized from pBN at the same temperature had finer grain size (50–100 nm) and exhibited the same level of hardness but lower strength properties (transverse rupture strength of approx. 1.3 GPa) than BL-PcBN(h). Consequently, the material that exhibited the best mechanical properties was BL-PcBN(h) synthesized at 10 GPa and 2200 °C. A prototype micro ball end mill made of this material was examined in a mirror-like (polished-like) finishing test using high-strength hardened steel. This ball end mill achieved a fine finishing surface with a surface roughness (Ra) of 20 nm or better. The test revealed the high potential of this material for use as a high-precision cutting tool for high strength ferrous materials.  相似文献   

17.
In this work, RENbO4 (RE = Y, La, Nd, Sm, Gd, Dy, Yb) ceramics with low density, low Young's modulus, low thermal conductivity, and high thermal expansion have been systematically investigated, the excellent thermo-mechanical properties indicate that RENbO4 ceramics possess the potential as the new generation of thermal barrier coatings (TBCs) materials. X-ray diffraction and Raman spectroscopy phase structure identification reveal that all dense bulk specimens obtained by high-temperature solid-state reaction belonged to the monoclinic (m) phase with C12/c1 space group. The ferroelastic domains are detected in the specimens, revealing the ferroelastic transformation between tetragonal (t) and monoclinic (m) phases of RENbO4 ceramics. The Young's modulus and hardness of the RENbO4 ceramics measured by the NanoBlitz 3D nanoindentation method are discussed in details, and the lower Young's modulus (60-170 GPa) and higher hardness (the maximum value reaches 11.48 GPa) indicating that higher resistance of RENbO4 ceramics to failure and damage. Lower thermal conductivity (1.42-2.21 W [m k]−1 at 500°C-900°C) and lower density (5.330-7.400 g/cm3) than other typical TBCs materials give RENbO4 ceramics the unique advantage of being new TBCs materials. Meanwhile, the thermal expansion coefficients of RENbO4 ceramics reach 9.8-11.6 × 10−6 k−1 and are comparable or higher than other typical TBCs materials. According to the first-order derivative of the thermal expansion rate, the temperature of the ferroelastic transformation of RENbO4 ceramics can be observed.  相似文献   

18.
《Ceramics International》2016,42(10):11743-11756
The structural and mechanical properties of NbN and Nb-Si-N films have been investigated both experimentally and theoretically, in their as-deposited and annealed states. The films were deposited using magnetron sputtering at substrate bias (UB) between 0 and −70 V. While NbN films were found to crystallize in the cubic δ-NbN structure, Nb-Si-N films with Si content of 11–13 at% consisted of a two-phases nanocomposite structure where δ-NbN nanocrystals were embedded in SiNx amorphous matrix. Films deposited at UB=0 V were highly (001)-textured. Application of substrate bias potential led to a depletion of light atoms, and caused a grain size refinement concomitantly with the increase of (111) preferred orientations in both films. The maximum hardness was 28 GPa and 32 GPa for NbN and Nb-Si-N films, respectively. NbN and Nb-Si-N films deposited at UB=−70 V exhibited compressive stress of −3 and −4 GPa, respectively. After vacuum annealing, a decrease in the stress-free lattice parameter was observed for both films, and attributed to alteration of film composition. To obtain insights on interface properties and related mechanical and thermal stability of Nb-Si-N nanocomposite films, first principles molecular dynamics simulations of NbN/SiNx heterostructures with different structures (cubic and hexagonal) and atomic configurations were carried out. All the hexagonal heterostructures were found to be dynamically stable and weakly dependent on temperature. Calculation of the tensile strain-stress curves showed that the values of ideal tensile strength for the δ-NbN(111)- and ε-NbN(001)-based heterostructures with coherent interfaces and Si3N4–like Si2N3 interfaces were the highest with values in the range 36–65 GPa, but lower than corresponding values of bulk NbN compound. This suggests that hardness enhancement is likely due to inhibition of dislocation glide at the grain boundary rather than interfacial strengthening due to Si-N chemical bonding.  相似文献   

19.
B6O is a potential superhard material with a hardness of 45 GPa measured on single crystals. Recently it was found that different oxides can be utilized as an effective sintering additive which allows densification under low pressures. In this work the effect of addition of Y2O3/Al2O3 on high temperature properties was investigated using impulse excitation technique (IET), hardness measurements and dilatometric measurements. The IET technique reveals the softening of the residual B2O3 in the materials without additives at 450 °C; in the materials with Y2O3/Al2O3 the softening is observed at only about 800 °C. This data agrees with the values found for different borate glasses.The materials showed no pronounced reduction of hardness at these temperatures. This is additional evidence, supporting previous observations that the material consists of pure grain boundaries between B6O grains. Hardness values (HV5) of up to 17 GPa at 1000 °C were observed.  相似文献   

20.
Silicon carbide polycrystalline materials were prepared by liquid phase sintering. Different rare-earth oxides (Y2O3, Yb2O3, Sm2O3) and AlN were used as sintering additives. The final microstructure consists of core–rim structure owing to the incorporation of AlN into the rim of SiC grains by solid solution. Nano- versus macro-hardness of polycrystalline SiC materials were investigated in more details. The nano-hardness of SiC grains was in the range of 32–34 GPa and it depends on the chemical compositions of grains. The harness followed the core–rim chemistry of grains, showing lower values for the rim consisting of SiC–AlN solid solution. The comparison of nano- and macro-hardness showed that nano-hardness is significantly higher, generally by 5–7 GPa. The macro-hardness of tested samples had a larger scatter due to the influence of several factors: hardness of grains (nano-hardness), indentation size effect (ISE), microstructure, porosity, and grain boundary phase. The influence of grain boundary phase on macro-hardness is also discussed.  相似文献   

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