Theoretical study of the structural,elastic and thermodynamic properties of chalcopyrite ZnGeP2

The structural, elastic, and thermodynamic properties of ZnGeP₂ with chalcopyrite structure are investigated using the pseudo-potentials plane wave method based on the density functional theory with the generalized gradient approximation. The lattice parameters (a, c and u) are directly calculated and agree well with previous experimental and theoretical results. The obtained negative formation enthalpy shows that ZnGeP₂ crystal has strong structural stability. We have also calculated the bulk modulus B and the elastic parameters (C₁₁, C₁₂, C₁₃, C₃₃, C₄₄, and C₆₆) which have not been measured yet. The accuracy and reliability of the calculated elastic constants of ZnGeP₂ crystal are discussed. In addition, the pressure and temperature dependencies of the lattice parameters, bulk modulus, Debye temperature, Grüneisen parameter, entropy, volume thermal expansion coefficient, and specific heat capacity are obtained in the ranges of 0–20 GPa and 0–1200 K using the quasi-harmonic Debye model. To our knowledge this is the first quantitative theoretical prediction of the thermodynamic properties for ZnGeP₂ compound and still awaits experimental confirmations.     

Synthesis and characterization of poly (linoleic acid)-g-poly(methyl methacrylate) graft copolymer with applying in Au/PLiMMA/n-Si diode

Poly (linoleic acid)-g-poly(methyl methacrylate) (PLiMMA) graft copolymer was synthesized and characterized. PLiMMA graft copolymer was synthesized from polymeric linoleic acid peroxide (PLina) possessing peroxide groups in the main chain by free radical polymerization of methyl methacrylate. Later, PLiMMA was characterized by proton nuclear magnetic resonance (¹H NMR), gel permeation chromatography (GPC), thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC) techniques. Furthermore, Au/PLiMMA/n-Si diode was fabricated for the purpose of investigating PLiMMA׳s conformity in diodes. The main electrical characteristics of this diode were investigated using experimental current–voltage (I–V) measurements in dark and at room temperature. Obtained results, such as sufficiently high rectifying ratio of 4.5×10⁴, indicate that PLiMMA is a promising organic material for electronic device applications.     

Effect of stoichiometry and Cu-substitution on the phase structure and hydrogen storage properties of Ml-Mg-Ni-based alloys

To improve the electrochemical properties of rare-earth–Mg–Ni-based hydrogen storage alloys, the effects of stoichiometry and Cu-substitution on the phase structure and thermodynamic properties of the ...     

Homogenization with uncertainty in Poisson ratio for polymers with rubber particles

The main aim of this work is dual computer analysis of probabilistic coefficients for the homogenized tensor of the polymer filled with the rubber particles having randomized Poisson ratios of both constituents. The major issue is to verify an influence of a randomness in rubber Poisson ratio close to the compressibility limit on the uncertainty of the effective tensor probabilistic characteristics. Probabilistic analysis presented here is carried out using mainly the stochastic perturbation technique provided by the common application of the traditional FEM commercial code ABAQUS and the symbolic computations package MAPLE. This FEM-based technique employs polynomial response function of the optimum order recovered from the weighted least squares method and following a set of deterministic solutions obtained for various values of the randomized input parameter. Optimization procedure is released entirely into a symbolic environment, where maximization of the correlation factor together with minimization of the fitting variance and approximation error are applied. Homogenization technique consists in equating of deformation energies for the real composite and the artificial one characterized by the effective elasticity tensor with uncertainty.     

Structural dependence of microwave dielectric properties of spinel structured Mg2(Ti1-xSnx)O4 solid solutions: Crystal structure refinement,Raman spectra study and complex chemical bond theory

Mg₂(Ti_1-xSn_x)O₄ (x?=?0–1) ceramics were prepared through conventional solid-state method. This paper focused on the dependence of microwave dielectric properties on crystal structural characteristics via crystal structure refinement, Raman spectra study and complex chemical bond theory. XRD spectrums delineated the phase information of a spinel structure, and structural characteristic of these compositions were achieved with the help of Rietveld refinements. Raman spectrums were used to depict the correlations between vibrational phonon modes and dielectric properties. The variation of permittivity is ascribed to the Mg₂(Ti_1-xSn_x)O₄ average bond covalency. The relationship among the B-site octahedral bond energy, tetrahedral bond energy and temperature coefficient are discussed by defining on the change rate of bond energy and the contribution rate of octahedral bond energy. The quality factor is affected by systematic total lattice energy, and the research of XPS patterns illustrated that oxygen vacancies can be effectively restrained in rich oxygen sintering process. Obviously, the microwave dielectric properties of Mg₂(Ti_1-xSn_x)O₄ compounds were obtained (${\epsilon }_r$= 12.18, $Q\times f$?=?170,130?GHz, ${\tau }_f$?=??53.1?ppm/°C, x?=?0.2).     

Self-repair of structural and functional composites with intrinsically self-healing polymer matrices: A review

Self-healing is a smart and promising way to make materials more reliable and longer lasting. In the case of structural or functional composites based on a polymer matrix, very often mechanical damage in the polymer matrix or debonding at the matrix–filler interface is responsible for the decrease in intended properties. This review describes the healing behavior in structural and functional polymer composites with a so-called intrinsically self-healing polymer as the continuous matrix. A clear similarity in the healing of structural and functional properties is demonstrated which can ultimately lead to the design of polymer composites that autonomously restore multiple properties using the same self-healing mechanism.     

Tribological behavior of Zr-based bulk metallic glass sliding against polymer,ceramic, and metal materials

The tribological properties of zirconium-based bulk metallic glass (BMG) sliding against polymers, steels, and ceramics at different loads and speeds were investigated. Acoustic emission (AE) technology was used to analyze wear states. The frictional coefficients of the BMG slid against the steel and ceramic balls were high but decreased with increased applied normal load and sliding speed. As the steel balls were more ductile than the ceramic ones, the steel–BMG sliding pairs generated weaker AE signals and exhibited larger wear rates. The BMG tested against the polymer balls had much lower and more stable frictional coefficients than the ones against the steel or ceramic balls because of transferred polymer layers on the BMG surfaces. The BMG against the polymer balls also exhibited the highest AE signals among the three types of counter materials used, indicating that abrasive wear dominated in the polymer-BMG sliding pairs. These results demonstrated the potential application of the BMG as a new tribomaterial that could be an alternative to the traditional crystalline metals for various counter materials.     

Changes in the physical properties of honey powder during storage

Honey powders produced by spray drying with the addition of Arabic gum and sodium caseinate were characterised in terms of the influence of storage time on the following physical properties: particle size, moisture content, water activity, bulk density, flowability and hygroscopicity. The storage affected those properties; after 12 weeks of storage, particle size decreased (except Arabic gum powder treated as a control sample), moisture content and water activity increased, hygroscopicity decreased. Changes in bulk density, particle size and moisture content caused the rise of Hausner ratio value; however, the powders were still characterised by a very good flow properties and low cohesiveness. The colour of reconstituted powders was also affected by storage; in most of samples, the darkening, reduction in redness and yellowness were observed. Colour parameters were the most stable in powders obtained with the addition of 2% w/w of sodium caseinate.     

Optimised phase compositions and improved microwave dielectric properties based on calcium tin silicates

The Ca_(1+2y)Sn_(1-x)Si_(1+y)O_(5-2x+4y) low-permittivity microwave dielectric ceramics were prepared through solid-state reaction at 1350–1450 °C for 5 h. The relations between microwave dielectric properties and phase compositions for non-stoichiometric Ca_(1+2y)Sn_(1-x)Si_(1+y)O_(5-2x+4y) ceramics have been investigated. A single CaSnSiO₅ phase with abnormally positive temperature coefficient of resonant frequency (τ_f = + 62.5 ppm/°C) was synthesised at 1450 °C. This composition was an effective τ_f compensator of CaSiO₃ and Ca₃SnSi₂O₉ phases with typically negative τ_f value. The CaSiO₃ second phase was related to the Sn deficiency in the CaSn_(1-x)SiO_(5-2x) (0 < x < 1.0) composition, whereas the Ca₃SnSi₂O₉ second phase was obtained by controlling the Ca:Sn:Si ratios on the basis of the Ca_(1+2y)SnSi_(1+y)O_(5+4y) (0 < y < 1.0) composition. A promising low-permittivity millimetre-wave ceramic with most excellent microwave dielectric properties (ε_r = 10.2, Q×f = 81,000 GHz and τ_f = −4.8 ppm/°C) was produced from the Ca_(1+2y)SnSi_(1+y)O_(5+4y) (y = 0.4) ceramic.     

Process and joint quality of ultrasonic vibration enhanced friction stir lap welding

In order to improve the process effectiveness and joint quality, ultrasonic vibrations were integrated with friction stir lap welding. Effect of ultrasonic exertion on the process and joint quality of AA 6061-T6 were investigated. Upon ultrasonic exertion, joints owned larger effective lap width, shorter hooks and improved strength. Weld fracture mode changed from a ductile–brittle mixed mode to a more ductile mode while the fracture path shifted from lap interface to beyond the stir zone. Material flow and interface defects were characterised using lap welded dissimilar aluminium alloy joints. Ultrasonic vibration improved the material flow and reduced the interfacial defects. Variations in failure load of joints were found in accordance with the variations in material flow and interfacial defects.