A Discussion of the Kamlet‐Jacobs Formula for the Detonation Pressure

The main features of the Kamlet‐Jacobs formula for the detonation pressure of C H N O explosives are analytically derived from a BKW (Becker‐Kistiakowsky‐Wilson) equation of state of the detonation products. In the derivation, well‐known typical values at the Chapman‐Jouguet state, in particular the nearly constant value of the relative volume of the detonation products, are used.     

等离子喷涂陶瓷涂层降低孔隙率的研究进展

通过对等离子喷涂陶瓷涂层降低孔隙率研究现状的文献综述,概括了国内外在等离子喷涂制备Al2O3及其复合涂层、Cr2O3及其复合涂层、ZrO2及其复合涂层降低孔隙率的研究进展,展望今后等离子喷涂陶瓷涂层降低孔隙率的发展方向.     

A New Approach to the Application of Molecular Surface Electrostatic Potential in the Study of Detonation

In a sample of 22 nitramines, the simplest features of surface electrostatic potentials (SEPs), their positive (V_S,max) and negative (V_S,min) extremes, are related to their detonation velocities, D, at maximal theoretical densities. The relationships between the V_S,min and D values logically show the nitramino group as responsible for detonation initiation for these compounds. On the other hand, the V_S,max values gave complicated relationships. As a criterion of the imbalance between the V_S,max and V_S,min extremes their sum was derived and used as a new simple characteristic of SEPs, V_S,Σ. The V_S,Σ values have close relationships with the D values and the corresponding relationships uniquely determine the nitramino grouping as a reactivity center for detonation of nitramines. This new criterion is shown to be the best SEP characteristic for the study of detonation initiation. In all the relationships mentioned in this study of nitramines, the increase in potentials and/or their sum correspond with an increase in the D values (energy content of molecules).     

A method for identifying the interface shear stress of unidirectional ceramic matrix composites

A method for identifying the interface shear stress of unidirectional ceramic matrix composites (CMCs) under fatigue loading was proposed. A functional relationship between the interface shear stress and the area of the hysteresis loop, the slip strain of the hysteresis loop was established based on the shear lag model by the method of symbolic-graphic combination. A fatigue test of SiC/SiC mini-composites was performed and the hysteresis curves were obtained. Then the interface shear stress under a different number of cycles was identified by inserting the experimental data of the area and slip strain of the hysteresis curves into the functional relationship. The identification results using previously introduced methods based on the area or the secant modulus of the hysteresis loop were also examined. To verify these methods, the interface shear stress identified by the three different methods was entered into the shear lag model to simulate the hysteresis curves for the different number of cycles. A comparison between the simulated results and experimental data shows that the proposed method is more appropriate for the composites used in this paper.     

Short fiber spraying process of all-oxide ceramic matrix composites: A parameter study

Fiber spraying processes have been established for polymer matrix composites for decades. In this study, we transferred an automated fiber spraying process to short fiber bundle-reinforced Nextel 610/ Al₂O₃-ZrO₂ oxide fiber composites (SF-OFC). The effect of the processing factors travel height, spray angle, and movement speed on the specimen strength was analyzed in a full factorial experimental design. As a result, the significance of the travel height as well as the interaction between travel height and movement speed was demonstrated. Furthermore, the influence of the fiber length (14, 28, 56, and 112 mm) on the bending stress and strain was investigated. Independent of the used fiber length, the SF-OFC exhibited an excellent quasi-ductile fracture behavior with bending strains in the range of .6% and in-plane isotropic material properties. The average bending strength increased from 133 ± 27 MPa with 14 mm fiber reinforcements to 163 ± 29 MPa with 112 mm fibers. The achieved bending strengths clearly exceeded the off-axis properties of currently used fabric-reinforced OFC. These properties, combined with the excellent drapability and cost effectiveness, make the novel material highly promising for industrial applications such as flame tubes, burner nozzles, kiln furnitures, or foundry components.     

Current distribution in double-cylinder electrolyte cells: Application to the study of corrosion properties of organic coatings

The ionic conductivity of an applied organic coating has been investigated using numerical finite element modelling and a double-cylinder electrochemical cell. The experimental results show that electrochemical impedance spectroscopy is able to account for ionic conductivity property of applied organic coatings in a flexible manner.     

Failure analysis of thermally cycled columnar thermal barrier coatings produced by high-velocity-air fuel and axial-suspension-plasma spraying: A design perspective

Axial-suspension-plasma spraying (ASPS) is a fairly recent thermal spray technology which enables production of ceramic top coats in TBCs, incorporating simultaneously the properties of both the conventional-plasma sprayed (highly insulating porous structures) and electron-beam-physical-vapor-deposited (strain-tolerant columnar structures) top coats. TBCs are required to insulate the hot components in a gas turbine engine against high temperature and harsh operating conditions. Periodic heating and cooling of turbine engines during operation can create severe thermal cyclic fatigue conditions which can degrade the performance of these coatings eventually leading to the failure. An in-depth experimental investigation was performed to understand the failure behavior of columnar TBCs subjected to thermal cyclic fatigue (TCF) test at 1100?C. The study revealed that the TCF performance was influenced to an extent, by the top coat microstructure, but was primarily affected by the severity of thermally grown oxide (TGO) growth at the bond coat-top coat interface. Mixed failure modes comprising crack propagation through the bond coat-TGO interface, through TGO and within the top coat were identified. Based on the analysis of the experimental results and thorough discussion a novel design of microstructure for the high TCF performance columnar TBC is proposed.     

Quantum Chemical Studies on the Structure and Performance Properties of 1,3,4,5‐Tetranitropyrazole: A Stable New High Energy Density Molecule

Molecular orbital calculations were performed for the geometric and electronic structures, band gap, thermodynamic properties, density, detonation velocity, detonation pressure, stability and sensitivity of 1,3,4,5‐tetranitropyrazole ( R23 ). The calculated density (approx. 2060 kg m⁻³), detonation velocity (approx. 9.242 km s⁻¹) and detonation pressure (approx. 41.30 GPa) of the model compound are appearing to be promising compared to hexahydro‐1,3,5‐trinito‐1,3,5‐triazine (RDX) and octahydro‐1,3,5,7‐tetranitro‐l,3,5,7‐tetrazocine (HMX). Bader’s atoms‐in‐molecules (AIM) analysis was also performed to understand the nature of the intramolecular N ⋅⋅⋅ O interactions and the strength of trigger X NO₂ bonds (where XC, N) of the optimized structure computed from the B3LYP/aug‐cc‐pVDZ level.     

Direct esterification of a hydroxyl functional polyester resin with p-hydroxybenzoic acid: Part A: investigation of the direct esterification reaction scheme and characterisation of products

Direct esterification of a hydroxyl functional polyester resin with p-hydroxybenzoic acid (PHBA) was carried out at 200–230°C in the presence of p-toluene sulphonic acid and xylene. Acid value, molecular weight distribution, differential scanning calorimetry and both ¹H and ¹³C NMR analysis were used to monitor the reaction. The optical texture of the final products were examined using a polarising optical microscope. The products from the reaction were the polyester with approximately 1 PHBA molecule per polymer chain end and unreacted PHBA. The dominant reaction in the system appears to be transesterification, resulting in a decrease of the molecular weight during the reaction. A liquid crystalline phase was not formed as multiple grafts of PHBA were not formed.     

A novel method for the preparation of porous zirconia ceramics with multimodal pore size distribution

This work presents a new route of processing porous ceramic materials by vacuum induction melting of metallic ternary alloys from the system Ni–Zr–Y. Following internal oxidation results in an interpenetrating network of nickel and oxide phase consisting of yttria and zirconia. After dissolution of the metallic nickel matrix the oxide phase remains as a stable porous ceramic material with a multimodal pore size distribution. The porosity, pore size distribution and specific surface area can be controlled by alloy composition, solidification conditions and oxidation parameters.     

A new method for the preparation of ultra-sharp V-notches to measure fracture toughness in ceramics

The preparation of an ultra-sharp V-notch on structural ceramics is a prerequisite for reliable fracture toughness assessment. Femtosecond lasers are used to cut ultra-sharp V-notch on the Si₃N₄ and Al₂O₃ ceramics for fracture toughness testing by single-edge V-notched beam method. The radius of the V-notch tip is smaller than 0.5 μm. The K_Ic of Si₃N₄ and Al₂O₃ ceramics determined by this method is much close to the actual fracture toughness. This method exhibits obvious advantage in good reproducibility, high accuracy and precision for reliable fracture toughness testing of structural ceramics.     

One-pot synthesis of amphiphilic nanogels from vinylated SPIONs/HEMA/PEG via a combination of click chemistry and surfactant-free emulsion photopolymerization: Unveiling of the protein-nanoparticle interactions

In this study, freshly prepared Fe₃O₄ nanoparticles (MNP1) were coated with 3-aminopropyltriethoxysilane (APTES) to produce core–shell Fe₃O₄@SiO₂ nanoparticles (MNP2), amine terminated nanoparticles was converted into the triazide in the presence of as-prepared triflic azide (MNP3). Propargyl acrylate (PgA) was synthesized from propargyl alcohol and acryloyl chloride and their structures were characterized by FT-IR and ¹H NMR spectroscopy. MNP3 were modified by PgA via click reaction to produce fully decorated triazole product (MNP4). Photopolymerization of MNP4 in the presence of hydroxyethyl methacrylate (HEMA) and acrylated methyl ether poly (ethylene glycol) (ACMPEG) were carried out by emulsion method without any surfactant (MNP5). The in-vitro release behavior of quercetin from MNP5s was investigated at two pHs (7.4 and 5.8). The effect of fetal bovine serum (FBS) on MNPs and its ability to cover magnetite nanoparticles was investigated.     

A DFT Study on the Structures and Energies of Isomers of 4‐Amino‐1,3‐dinitro‐1,2,4‐triazol‐5‐one‐2‐oxide: New High Energy Density Compounds

Isomers of 4‐amino‐1,3‐dinitrotriazol‐5‐one‐2‐oxide (ADNTONO) are of interest in the contest of insensitive explosives and were found to have true local energy minima at the DFT‐B3LYP/aug‐cc‐pVDZ level. The optimized structures, vibrational frequencies and thermodynamic values for triazol‐5‐one N‐oxides were obtained in their ground state. Kamlet‐Jacob equations were used to evaluate the performance properties. The detonation properties of ADNTONO (D=10.15 to 10.46 km s⁻¹, P=50.86 to 54.25 GPa) are higher compared with those of 1,1‐diamino‐2,2‐dinitroethylene (D=8.87 km s⁻¹, P=32.75 GPa), 5‐nitro‐1,2,4‐triazol‐3‐one (D=8.56 km s⁻¹, P=31.12 GPa), 1,2,4,5‐tetrazine‐3,6‐diamine‐1,4‐dioxide (D=8.78 km s⁻¹, P=31.0 GPa), 1‐amino‐3,4,5‐trinitropyrazole (D=9.31 km s⁻¹, P=40.13 GPa), 4,4′‐dinitro‐3,3′‐bifurazan (D=8.80 km s⁻¹, P=35.60 GPa) and 3,4‐bis(3‐nitrofurazan‐4‐yl)furoxan (D=9.25 km s⁻¹, P=39.54 GPa). The  NH₂ group(s) appears to be particularly promising area for investigation since it may lead to two desirable consequences of higher stability (insensitivity), higher density, and thus detonation velocity and pressure.     

Fabrication of fused silica-based cores by the gel-casting method: Modeling by response surface methodology

In this study, fused silica-based cores fabrication via gel-casting procedure was modeled via the response surface methodology (RSM). Zircon content, alumina content, and sintering time were selected as variables and the influences of these parameters on the characteristic of the prepared samples were investigated. Two series of experiments were organized; (i) evaluation and modeling of the sintered samples and (ii) evaluation and modeling of the samples which passed pouring-simulation treatment. Mechanical strength, porosity content, and leachability were selected as the response parameters and the obtained numerical data were analyzed using the Minitab software. Based on the RSM principles, the main effects plots and contour plots were recorded and the system was studied by means of a statistical model. However, both series of samples were evaluated and mathematical regression equations were gained from the RSM technique for modeling the response parameters; MOR, porosity, and leachability. Results showed that in the sintered samples, the most effective parameters on the MOR, porosity, and leachability values were Al₂O₃ content, zircon content & sintering time, and zircon content, respectively. It is interesting that in the pouring-simulated samples, the most effective variable on the response parameters was Al₂O₃ content.     

A novel foam glass obtained from solid waste: A sustainable strategy for application in the degradation of an environmental pollutant

Foams glass were obtained from solid waste of flat glass and exhausted alkaline batteries. The physical, chemical, crystalline and morphological properties of the samples were obtained using the Archimedes principle, X-ray diffractometry (XRD), scanning electron microscopy (SEM). The results revealed glass foams with apparent porosities in the range of 55–64% and apparent densities in the range of 0.40–0.79 g cm^?3. The manganese oxide and graphite contained within the cathode of alkaline batteries acted as both oxidizing agents and as foaming agents. The zinc contained in the anode acted as a pore stabilizing agent and the zinc oxide as a semiconductor material. The foam glass that was composed of flat glass with an anode of Zn and ZnO, and a cathode of Mn₂O₃ and Mn₃O₄ (named An8), showed the greatest potential for heterogeneous photocatalysis, with a maximum efficiency of 95.9% after 3 h of treatment of solution containing dye. These results suggest the feasibility of producing foam glass from waste, as well as its potential application in photocatalytic systems, such as in the low-cost treatment of water.     

Preparation of TiO2/carbon nanotubes photocatalysts: The influence of the method of oxidation of the carbon nanotubes on the photocatalytic activity of the nanocomposites

A method for the preparation of efficient TiO₂/multi-wall carbon nanotubes nanocomposite photocatalysts by precipitation of anatase TiO₂ nanoparticles onto differently oxidized carbon nanotubes is presented. The precursor compound titanium(IV) bromide was hydrolyzed producing pure anatase phase TiO₂ nanoparticles decorated on the surface of the oxidized carbon nanotubes. The oxidative treatment of the carbon nanotubes influenced the type, quantity and distribution of oxygen-containing functional groups, which had a significant influence on the electron transfer properties, i.e., the photocatalytic activity of the synthesized nanocomposites. The results of C.I. Reactive Orange 16 photodegradation in the presence of all the synthesized nanocomposites showed their better photocatalytic activity in comparison to the commercial photocatalyst Degussa P-25.