Combined meso-scale modeling and experimental investigation of the effect of mechanical damage on the transport properties of cementitious composites

The transport properties of cementitious composites such as concrete are important indicators of their durability, and are known to be heavily influenced by mechanical loading. In the current work, we use meso-scale hygro-mechanical modeling with a morphological 3D two phase mortar-aggregate model, in conjunction with experimentally obtained properties, to investigate the coupling between mechanical loading and damage and the permeability of the composite. The increase in permeability of a cylindrical test specimen at 28% aggregate fraction during a uniaxial displacement-controlled compression test at 85% of the peak load was measured using a gas permeameter. The mortar's mechanical behavior is assumed to follow the well-known compression damaged plasticity (CDP) model with isotropic damage, at varying thresholds, and obtained from different envelope curves. The damaged intrinsic permeability of the mortar evolves according to a logarithmic matching law with progressive loading. We fit the matching law parameters to the experimental result for the test specimen by inverse identification using our meso-scale model. We then subject a series of virtual composite specimens to quasi-static uniaxial compressive loading with varying boundary conditions to obtain the simulated damage and strain evolutions, and use the damage data and the previously identified parameters to determine the evolution of the macroscopic permeability tensor for the specimens, using a network model. We conduct a full parameter study by varying aggregate volume fraction, granulometric distribution, loading/boundary conditions and “matching law” parameters, as well as for different strain–damage thresholds and uniaxial loading envelope curves. Based on this study, we propose Avrami equation-based upper and lower bounds for the evolution of the damaged permeability of the composite.     

Influence of filler alignment in the mechanical and electrical properties of carbon nanotubes/epoxy nanocomposites

In this work, we report the mechanical and electrical properties of carbon nanotubes/epoxy composites prepared with aligned and randomly oriented nanotubes as filler. The samples are disks of 30 mm in diameter and 3 mm in thickness. To obtain the carbon nanotubes alignment, an external electric field (250 VAC; 50 Hz) was applied through the thickness of the sample during all the cure process. The AC electrical current was measured, during the cure, as a strategy to determine the optimum time in which the alignment reaches the maximum value. DC conductivity measured after the cure shows a percolation threshold in the filler content one order of magnitude smaller for composites with aligned nanotubes than for composites with randomly oriented filler (from 0.06 to 0.5 wt%). In the percolation threshold, the achieved conductivity was 1.4×10⁻⁵ Sm⁻¹. In both cases, aligned and randomly distributed carbon nanotube composites, the wear resistance increases with the addition of the filler while the Rockwell hardness decreases independently of the nanotubes alignment.     

Effect of Mn-doping on the electrical properties of Cu2GeSe3

In this work we report the temperature dependence of the resistivity ρ of p-Cu₂GeSe₃ and manganese-doped p-Cu₂GeSe₃ at low temperature. It was found that for a intrinsic sample ρ obeys the Shklovskii-Efros-type variable-range hopping resistivity law in the temperature range from 4 to 63 K. This behaviour is governed by generation of a Coulomb gap Δ=78 meV in the density of localized states. We find a low activation term T₀=0.24 K, which is an indication of a large localization length ξ. For Mn-doped sample a metal-insulator transition (MIT) is observed at T=65 K. On the basis of the Mott criterion for metal-insulator transition, the critical carrier density n_c is determined. From the analysis of resistivity data it is concluded that Mn acts as acceptor impurity.     

Effect of annealing temperature on the optical and electrical properties of amorphous As45.2Te46.6In8.2 thin films

The optical absorption of the As-prepared and annealed As_45.2Te_46.6In_8.2 thin films are studied. Films annealed at temperatures higher than 453 K show a decrease in the optical energy gap (E_o). The value of E_o increases from 1.9 to 2.43 eV with increasing thickness of the As-prepared films from 60 to 140 nm. The effect of thickness on high frequency dielectric constant (?_∞) and carrier concentration (N) is also studied. The crystalline structures of the As_45.2Te_46.6In_8.2 thin films resulting from heat treatment of the As-prepared film at different elevated temperatures is studied by X-ray diffraction. An amorphous-crystalline transformation is observed after annealing at temperatures higher than 453 K. The electrical conductivity at low temperatures is found due to the electrons transport by hopping among the localized states near the Fermi level. With annealing the films at temperatures higher than 473 K (the crystallization onset temperature) for 1 h, the electrical conductivity increases and the activation energy decreases, which can be attributed to the amorphous-crystalline transformations.     

Effect of composition and thermal annealing on the absorption and electrical conduction of Se85−xTe15Sbx glasses

The optical absorption of the as-prepared and thermally annealed Se_85−xTe₁₅Sb_x (0≤x≤9) thin films was measured. The mechanism of the optical absorption follows the rule of non-direct transition. The optical energy gap (E₀) decreased from 1.12 to 0.84 eV with increasing Sb content of the as-prepared films from 0 to 9 at.%. The as-prepared Se₇₆Te₁₅Sb₉ films showed an increase in (E₀) with increasing the temperature of annealing in the range above T_g (363 K). The electrical conductivity of the as-prepared and annealed films was found to be of Arrhenius type with temperature in the range 300-360 K. The activation energy for conduction was found to decrease with increasing both the Sb content and temperature of annealing. The results were discussed on the basis of the lone-pair electron effect and of amorphous crystalline transformation.     

Optical properties and mechanical characteristics of transparent nanostructured Zn1−xMnxO thin films

Uniform and transparent thin films of Zn_1−xMn_xO (0?x?0.10) were fabricated by a sol-gel spin coating method. XRD results indicated the hexagonal structure of ZnO as the primary phase at all concentrations (x) of Mn. However, at x?0.035, Mn₃O₄ (tetragonal) is observed as the secondary phase, which was confirmed by selected-area electron diffraction patterns. SEM and TEM results showed a tendency of grains to arrange into wire-shaped morphologies, leading to elongated needle-like structures at high Mn addition. Increasing Mn content in the range 0?x?0.10 led to quenching of photoluminescence, increase in the band gap (E_g) from 3.27 to 3.33 eV, and increase in film thickness, refractive index and extinction coefficient of Zn_1−xMn_xO thin films. The residual stress evaluated was compressive in all cases and found to increase by an order of magnitude with addition of Mn. Furthermore, an overall increase in microhardness and yield strength of Zn_1−xMn_xO thin films at higher Mn concentrations is attributed to change in microstructures, presence of secondary phase and increase in film thickness.     

Annealing temperature influence on electrical properties of ion beam sputtered Bi2Te3 thin films

Ion beam sputtering process was used to deposit n-type fine-grained Bi₂Te₃ thin films on BK7 glass substrates at room temperature. In order to enhance the thermoelectric properties, thin films are annealed at the temperatures ranging from 100 to 400 °C. X-ray diffraction (XRD) shows that the films have preferred orientations in the c-axis direction. It is confirmed that grain growth and crystallization along the c-axis are enhanced as the annealing temperature increased. However, broad impurity peaks related to some oxygen traces increase when the annealing temperature reached 400 °C. Thermoelectric properties of Bi₂Te₃ thin films were investigated at room temperature. The Bi₂Te₃ thin films, including as-deposited, exhibit the Seebeck coefficients of −90 to −168 μV K⁻¹ and the electrical conductivities of 3.92×10²-7.20×10² S cm⁻¹ after annealing. The Bi₂Te₃ film with a maximum power factor of 1.10×10⁻³ Wm⁻¹ K⁻² is achieved when annealed at 300 °C. As a result, both structural and transport properties have been found to be strongly affected by annealing treatment. It was considered that the annealing conditions reduce the number of potential scattering sites at grain boundaries and defects, thus improving the thermoelectric properties.     

Electrical properties of expanded graphite/poly(styrene-co-acrylonitrile) composites

A four probe method was used to measure the electrical conductivities of poly(styrene-co-acrylonitrile)/expanded graphite composites. The composites showed excellent electrical conductivities in both a- and c-axes. The different effects of temperature and the applied current on the conductivities in a-axis and in c-axis were observed. It was found that the conductive behaviors of the composite were different from those of semiconductor and carbon black loaded polymer composites. All these differences and excellent conductivity were considered to be related to the structure of the composites.     

Effect of bismuth deficiency on structure and electrical properties of (Na0.5Bi0.5)0.93Ba0.07TiO3 ceramics

(Na_0.5Bi_x)_0.93Ba_0.07TiO₃ (x=0.500-0.492) ceramics were prepared by a citrate method, and the structure and electrical properties of the ceramics were investigated with respect to the amount of Bi deficiency. It was detected that the Bi deficiency had a considerable impact on the crystal structure and microstructure. The inspection of both the temperature dependence of the dielectric properties (free permittivity ε₃₃^T/ε₀ and dielectric loss tan δ) and the evolution of the polarization-electrical field (P-E) hysteresis loops with measuring temperature suggests that the Bi deficiency served to increase the depolarization temperature (T_d). The Bi deficiency led to an increase in the coercive field (E_c) and mechanical quality factor (Q_m) together with a decrease in the remanent polarization (P_r) and piezoelectric constants (d₃₃). The variation of the structure and electrical properties with Bi deficiency amount was qualitatively interpreted in terms of the formation of Bi and oxygen vacancies in the Bi-deficient specimens. This research indicates the importance of adequately controlling Bi stoichiometry of (Na_0.5Bi_0.5)_0.93Ba_0.07TiO₃ ceramics in obtaining the desired ferroelectric and piezoelectric properties.     

Structural,thermal and electrical properties of the semiconductor system Ag(1−x)CuxInSe2

This paper presents a study of bulk samples synthesized of the Ag_1−xCu_xInSe₂ semiconductor system. Structural, thermal and electrical properties, as a function of the nominal composition (Cu content) x=0.0, 0.2, 0.4, 0.6, 0.8, and 1.0 were studied. The influence of x on parameters such as melting temperature, solid phase transition temperature, lattice parameters, bond lengths, crystallite size t (coherent domain), electrical resistivity, electrical mobility and majority carrier concentration was analyzed. The electrical parameters are analyzed at room temperature. In general, it is observed that the properties of the Ag_1−xCu_xInSe₂ system for x≤0.4 are dominated by n-AgInSe₂, while for x>0.4, these are in the domain of p-CuInSe₂. The crystallite size t in the whole composition range (x) is of the order of the nanoparticles. Secondary phases (CuSe, Ag₂Se and InSe) in small proportion were identified by XRD and DTA.     

Effect of excess hydrogen on the electronic properties of passivated diamond

Recently, Yan et al. reported a theoretical approach to overcome the n-type doping problem of diamond by passivating the B acceptor and the reduction of ionization energy of dopants. Using the proposed approach, we have systemically investigated the effect of excess H atoms on the electronic properties of a passivated system [diamond doped with (B+H) complex] based on the variation of Fermi level from first-principle calculations. The results show that the excess H atom is responsible for n-type behavior when all valence electrons of substitutional B atom participate in the hybridization between substitutional B and H atoms. On the contrary, when part of valence electrons of the substitutional B atom participates in the hybridization, H atoms make the passivated system show p-type or insulator behavior. Further study indicates that the excess H atoms are more apt to make the passivated system show p-type rather than n-type behavior under the same conditions. It leads to a much more comprehensive understanding of the interaction between the excess H atoms and the passivated system compared with that of Yan et al. The results may be useful to provide guidance for experimental work on obtaining n-type diamond in the future.     

Optical, electrical and photovoltaic properties of thermally annealed PPHT:DDE blend thin films

We have investigated the optical, electrical and photovoltaic properties of devices based on 1,2-diazoamino diphenyl ethane (DDE) and poly(3-phenyl hydrazone thiophene) (PPHT):DDE blend. It is observed from the J-V characteristics of the Al/DDE/ITO (ITO—indium tin oxide) device that the electron current injected from Al contact was shown to be space charge limited (SCL), indicating that Al forms nearly ohmic contact for electron injection into lowest unoccupied molecular orbital (LUMO) of DDE. The effect of thermal annealing and composition, on the optical, electrical and photovoltaic response of blend of PPHT and DDE sandwiched between a transparent ITO electrode and an Al back contact are investigated. The observed absorption quenching in the PPHT:DDE blend is attributed to the disordering of PPHT chains and charge transfer between PPHT and DDE as evidenced by FTIR spectra. The observed red shift in the absorption peak on thermal annealing is due to the improvement in the ordering and increases in conjugation length in PPHT. The observed dark current-voltage curves agree well with trap-controlled SCL transport theory. The photophysics of the blend material and influence of thermal annealing on the performance and morphology of these devices were discussed. Annealing process results in the formation of PPHT:DDE complex and increase in the ordering of polymer chain, that increases the incident photon to current efficiency (IPCE) and power conversion efficiency of the photovoltaic devices.     

Physical studies on composites Ag7I4VO4-Al2O3

The electrical properties of the solid electrolytes Ag₇I₄VO₄-Al₂O₃ (0-40 mol% Al₂O₃) are investigated. The electrical conductivity, dielectric constant and dielectric loss are increased by increasing the concentration of Al₂O₃; showing a maximum at 30 mol% Al₂O₃. The conductivity is found to be increased by decreasing the particle size of Al₂O₃. The results are explained using the random resistor network model (RRN). This is due to the formation of a highly conducting interface layer along the matrix-particle interface. This layer is destroyed at concentrations higher than 30 mol% Al₂O₃.     

Effects of nanocracks on the magnetic and electrical properties of single crystals

An investigation of the physical properties of La_0.8Sr_0.2MnO₃ single crystals grown by the molten zone technique is realized close to the metal-to-insulator transition temperature (T_MI). In this paper, we review the effect of the structural defects through magnetotransport and local magnetic microstructures. From electron microscopy observations, some ‘nanocrack’ defects (i.e. defects at a nanometer scale) were found, essentially in the center part of the single crystals. At room temperature, magnetic force microscopy measurements have shown that the absence of defects allowed a magnetic ordering of the domains at the crystal edge, which is the best-crystallized region. In addition, the magnetization loops have permitted us to verify that the crystal was ferromagnetically weaker in the center. On analyzing the electrical resistivity data, we observed in the linear current regime a sensitive variation of the resistivity due to defects, by comparing the center and the edge of the material at T_MI. Additionally, at strong current, non-linearity phenomena have been supposed to be related to local heating. Finally, we discuss the structural disorder effect on the relaxation of the ferromagnetic domains.     

The effects of elements doping on transport and thermoelectric properties of Sr3Ti2O7

The Ruddlesden–Popper (RP) phase compounds (Sr_0.95R_0.05)₃Ti₂O₇ (R=Er, Y, Dy, Gd, Eu, Sm, Nd and La) were prepared, and their transport and thermoelectric properties were investigated. The results indicate that high-T electrical resistivity ρ (300 K<T<1000 K) increases monotonically with temperature and basically has a relation ρ∝T^M, with M varying from 0.91 to 1.92 at temperatures T>~650 K, suggesting acoustic phonon scattering is dominant. At low temperatures (5 K<T<300 K), ρ for (Sr_0.95R_0.05)₃Ti₂O₇ (R=Nd and La) decreases monotonously with decreasing temperature, whereas ρ for (Sr_0.95R_0.05)₃Ti₂O₇ (R=Er, Y, Dy, Gd, Eu and Sm) decreases first, and then increases instead as T decreases to a critical temperature T_c. Moreover, electrical conductivity σ∝T^1/2 holds at lower temperatures, indicating that the electron–electron interaction caused by the presence of disorder dominates the transport process at the low temperatures. Besides, experiments show that at T<~400 K the lattice thermal conductivity of the doped compounds basically decreases with increase of the atomic mass of dopants. Generally, the figure of merit (ZT) at 1000 K increases first, and then decreases with the increase of the dopants' ionic radius, and the largest ZT is achieved in (Sr_0.95Gd_0.05)₃Ti₂O₇ mainly owing to its lower lattice thermal conductivity.     

Fabrication and electrical properties of ordered two-dimensional hollow ZnO shells’ arrays

Colloidal templating and pulsed laser deposition (PLD) have been combined to fabricate arrays of ordered two-dimensional hollow ZnO cells. Based on a spin-coating method, a facile method has been developed to distribute colloidal bead in an ordered two-dimensional fashion between the fingers of inter-digital transducers. The underlying principle involved in the spin-coating method has been analyzed by obtaining Fourier transformation patterns from the arrangements of beads. The surfaces of oxide shells consist of protruding nano-crystallites, which have a würtzite structure of ZnO. Their electrical properties were measured as a function of annealing temperature. The change in the electrical properties upon grain growth has been attributed to alteration in the fraction site availability for defect formation at the grain boundaries.     

Investigations on the electrical and structural properties of polyaniline doped with camphor sulphonic acid

Polyaniline is chemically synthesised and doped with camphor sulphonic acid. FTIR studies carried out on these samples indicate that the aromatic rings are retained after polymerisation. The percentage of crystallinity for polyaniline doped with camphor sulphonic acid has been estimated from the X-ray diffraction studies and is around 56% with respect to polyaniline emeraldine base. The change in dielectric permittivity with respect to temperature and frequency is explained on the basis of interfacial polarisation. AC conductivity is evaluated from the observed dielectric permittivity. The values of AC and DC conductivity and activation energy are calculated. The activation energy values suggested that the hopping conduction is the prominent conduction mechanism in this system.     

Preparation and characterization of carbon nanotubes/epoxy resin nano-prepreg for nanocomposites

The surface carbon nanotubes (CNTs) were modified to generate functional reactors by using the sonicication method to distribute CNTs evenly among epoxy resin, which was prepared into nano-prepreg with carbon fibers. Additionally, based on various proportions of modified and unmodified CNTs, the mechanical properties and conductivities of the composite, as well as, the characteristics of material subjected to various temperature conditions were investigated. Experimental results indicate that increasing CNT content enhances the mechanical strength and electrical properties. At various temperatures, the mechanical strength drops with increase in temperature because different expansion coefficients differ between fiber and epoxy resin. Finally, the failure surface of nanocomposite was examined using scanning electron microscopy (SEM). Finally we provide a discussion of the failure mechanism of the material.     

Spectroscopic characterization, conductivity and relaxation anomalies in the Li2O-MgO-B2O3 glass system: Effect of nickel ions

Glass samples of the system, Li₂O-MgO-B₂O₃ containing different concentrations of nickel oxide (ranging from 0 to 1.0 mol%) were prepared by using the melt quenching technique. The optical absorption studies indicate that the nickel ions occupy both tetrahedral and octahedral positions in the glass network. However, the octahedral positions seem to be dominant when the concentration of nickel oxide is ?0.4 mol% in the glass matrix. When in the octahedral positions, nickel ions occupy the network modifying positions. This has a tremendous effect on the thermoluminescence, electrical conductivity and magnetic susceptibility studies. Electrical measurements were carried out as a function of frequency and temperature over the frequency range of 10-10⁶ Hz and a temperature range of 303-523 K. The electric modulus formalism was applied to study the relaxation behavior by using the impedance data for all the samples at 403 K, and also for analyzing the relaxation behavior of the highest conducting sample (0.4 mol% of nickel oxide) at different temperatures. An attempt has been made to relate the measured properties to the structural modifications in the glass network due to the modifying effect of octahedral Ni²⁺ ions.     

Effects of protons and acceptor substitution on the electrical conductivity of La6WO12

Transport properties and non-stoichiometry of La_1−xCa_xW_1/6O₂ and La_1−yW_1/6O₂ (x=0, 0.005, 0.05; y=0.05, 0.1) have been characterized by means of impedance spectroscopy, the EMF-technique, H⁺/D⁺ isotope exchange, and thermogravimetry in the temperature range 300-1200 °C as a function of oxygen partial pressure and water vapor partial pressure. The materials exhibit mixed ionic and electronic conductivities; n- and p-type electronic conduction predominate at high temperatures under reducing and oxidizing conditions, respectively. Protons are the major ionic charge carrier under wet conditions and predominates the conductivity below ∼750 °C. The maximum in proton conductivity is observed for LaW_1/6O₂ with values reaching 3×10⁻³ S/cm at approximately 800 °C. The high proton conductivity for the undoped material is explained by assuming interaction between water vapor and intrinsic (anti-Frenkel) oxygen vacancies.