Pressure dependence of the electrical resistivity of natural cassiterite SnO2 and of undoped and Co-doped nanocrystalline SnO2

The pressure dependence of the electrical resistivity of three different samples of cassiterite, namely natural cassiterite SnO₂, synthetic nanocrystalline SnO₂ (with crystallite size 46?nm) and nanocrystalline Co-doped SnO₂ (with crystallite size 32?nm), has been measured up to 7?GPa at room temperature. The resistivity of natural cassiterite SnO₂ decreases from 2.5?×?10⁴?Ωm at normal pressure and temperature to 1.7?×?10⁴?Ωm at 7.0?GPa. The nanocrystalline SnO₂ has a high resistivity 6.0?×?10⁵?Ωm at normal pressure and temperature and decreases with pressure reaching a value of 2.98?×?10⁵?Ωm at 7?GPa. The activation energy of the electrical conduction of the studied samples were found to be 0.32?eV for the natural SnO₂, 0.40?eV for the nanocrystalline SnO₂ sample and 0.28?eV for the nanocrystalline Co-doped SnO₂. Measurements of the pressure dependence of the electrical resistivity of the Co-doped SnO₂ showed a decrease from 3.60?×?10⁵ to 5.4?×?10⁴?Ωm at 7.0?GPa. We did not observe any pressure-induced phase transition in SnO₂ up to 7?GPa. This study of the high-pressure phase stability of cassiterite corroborates the experimental findings of SnO₂ nanoinclusions in diamonds.     

Texture development during cross rolling of a dual-phase Fe–Cr–Ni alloy: experiments and simulations

Texture development during multi-step cross rolling of a dual-phase Fe–Cr–Ni alloy has been investigated. X-ray diffraction was used to investigate changes in crystallographic texture of both the constituent phases (austenite and ferrite) through changes in orientation distribution function. After deformation, rotated brass (rotated along φ₁, i.e. the sample normal direction ND), along with a weak cube texture was observed in austenite, while a strong rotated cube texture was obtained in ferrite. Texture was also simulated for various strains using a co-deformation model by self-consistent visco-plastic (VPSC) formulation. Simulations showed strong rotated brass texture in austenite and a strongly rotated cube, α-fibre (sample rolling direction RD //<1 1 0>) and γ-fibre (ND //<1 1 1>) in ferrite after highest strain (ε_t = 1.6). VPSC models could not effectively capture the change in crystallographic texture during cross rolling. In ferrite, simulations showed an overestimation of γ-fibre component and an underestimation of rotated cube component. Simulated texture of austenite, on the other hand, showed an overestimation of rotated brass with an absence of cube component. The results are rationalised based on the possible role of shear banding and activation of non-octahedral slip system during cross rolling, both of which are not incorporated in conventional VPSC models.     

Microstructural characterization of the M23C6 carbide in a long-term aged Ni-based superalloy

The microstructural features of M₂₃C₆ carbide in a long-term aged heat- and corrosion-resistant Ni-based superalloy have been investigated in detail using various kinds of transmission electron microscope (TEM) techniques. It is found that TEM contrast, which is related to structural and chemical inhomogeneities inside the grains, always exists in the interior of grains in the alloy. The structure of these inhomogeneous regions has been determined to be the same as that of the γ′ and t-M₂₃C₆ phases, where t-M₂₃C₆ indicates a transitional and metastable phase. Although possessing the same structure as the M₂₃C₆ phase, the chemical composition of the t-M₂₃C₆ is different from that of the M₂₃C₆ phase. Compared with M₂₃C₆, t-M₂₃C₆ is richer in Ni, Co, Al and Ti but poorer in W, Mo and Cr. This phenomenon of structural and chemical inhomogeneity demonstrates that pristine M₂₃C₆ carbide (p-M₂₃C₆) precipitated in standard heat-treated samples is unstable. Therefore, upon long-term ageing treatment, Ni, Co, Al and Ti may locally enrich inside the p-M₂₃C₆ phase, finally forming the γ′ phase, which can be described by the decomposition reaction p-M₂₃C₆ → M₂₃C₆ + γ′.     

Effect of Si on the formation and stability of the icosahedral quasicrystalline phase in Al–Fe–Cr–Ti alloys

The formation and stability of the quasicrystalline icosahedral (i) phase in melt-spun Al_{93– x} Fe₃Cr₂Ti₂Si _x (x?=?0–5) ribbons are reported. Samples were characterized by X-ray diffraction, differential scanning calorimetry and transmission electron microscopy. Primitive (P-type) ordered i phase particles were found to be homogeneously distributed in an fcc α-Al matrix in the as-melt-spun ribbons. The size of the i phase particles decreased and their thermal stability increased with increasing substitution of Al by Si. The i phase had a decomposition temperature of approximately 480°C in an Al₉₃Fe₃Cr₂Ti₂ ribbon whereas that in an Al₉₂Fe₃Cr₂Ti₂Si₁ ribbon was approximately 500°C. The i phase particles are resistant to coarsening prior to decomposition into crystalline phases. The presence of a small quantity of Si (up to 1.0?at.%) is beneficial to both the thermal stability and the hardness of nanoquasicrystalline Al–Fe–Cr–Ti alloys.     

The influence of the menstrual cycle on reactivity to a CO2 challenge among women with and without premenstrual symptoms

Clinically significant premenstrual symptoms (PMS) is conceptualized as a depressive disorder in DSM-5, however, it may share pathophysiological processes with anxiety- and fear-related disorders. Specifically, women with PMS panic at higher rates during biological challenge procedures. It is unclear if this increased interoceptive sensitivity is a general vulnerability or specific to the premenstrual phase. The current study examined the role of menstrual cycle phase on reactivity to a CO₂ challenge among women with (n = 11) and without (n = 26) clinically significant PMS (N = 37). During the late follicular phase (days 6–12), women with and without PMS responded similarly to the CO₂ challenge, whereas during the premenstrual phase (within 5 days before menses), women with PMS reported significantly more intense panic symptoms in response to the challenge than women without PMS. Vulnerability to panic in women with PMS may be specific to the premenstrual phase. Potential psychological and neurobiological mechanisms underlying this phenomenon are discussed.     

In situ stress relaxation mechanism of a superelastic NiTi shape memory alloy under hydrogen charging

On account of its good biocompatibility, superelastic Ni–Ti arc wire alloys have been successfully used in orthodontic clinics. Nevertheless, delayed fracture in the oral cavity caused by hydrogen diffusion can be observed. The in situ stress relaxation susceptibility of a Ni–Ti shape memory alloy towards hydrogen embrittlement has been examined with respect to the current densities and imposed deformations. Orthodontic wires have been relaxed at different martensite volume fractions using current densities of 5, 10 and 20 A/m² at 20 °C. The in situ relaxation stress shows that, for an imposed strain at the middle of the austenite–martensite transformation, the specimen fractures at the martensite–austenite reverse transformation. However, for an imposed strain at the beginning of the austenite–martensite plateau, the stress decreases in a similar way to the full austenite structure. Moreover, the stress plateau has been recorded at the reverse transformation for a short period. For the fully martensite structure, embrittlement occurs at a higher stress value. This behaviour is attributed to the interaction between the in situ austenite phase expansion and the diffusion of hydrogen in the different volume fractions of the martensite phase, produced at an imposed strain.     

Structural stability of W2B5 under high pressure

High-pressure structural stability studies have been carried out on tungsten boride W₂B₅ up to maximum pressure of 36 GPa using a Mao-Bell diamond-anvil cell at beamline BR-12 of the ELETTRA synchrotron facility (λ = 0.68881 Å). The hexagonal phase (S.G:P6₃/mmc) of W₂B₅ is stable up to the maximum pressure studied. The bulk modulus is estimated to be ~347 GPa using the Birch–Murnaghan equation of state. The variation of lattice parameters and bond lengths B–B and W–B have been studied and the c-axis is seen to be marginally more compressible than the a-axis.     

Electrical conductivity of Nd and Ce co-doped Gd2Zr2O7 ceramics

In this study, (Gd_{1? x} Nd _x )₂(Zr_{1? x} Ce _x )₂O₇ (0 ≤ x ≤ 0.5) ceramics have been prepared by pressureless sintering at 1973 K to investigate the influence of Nd and Ce co-doping on their electrical conductivity. The electrical conductivity of the ceramics was investigated by impedance spectroscopy measurements from 723 to 1173 K over the frequency range of 20 Hz to 2 MHz in air. The measured values obey the Arrhenius relation. For each composition, the grain conductivity gradually increases with increasing temperature from 723 to 1173 K. At a given temperature, it gradually decreases with increasing neodymium and cerium contents from x = 0 to 0.3; thereafter, the grain conductivity exhibits a slight increase with further increasing neodymium and cerium contents up to x = 0.5.     

Size effects and Hall–Petch relation in polycrystalline cobalt

The mechanical behaviour of polycrystalline hexagonal close-packed cobalt was investigated over a large range of grain size d in order to examine the occurrence of size effects. Crystallographic texture and amount of face centred cubic allotropic phase were maintained unchanged thanks to appropriate heat treatment procedures. The Hall–Petch (HP) relation exhibits two distinct behaviours from the very beginning of plastic strain levels. The conventional HP law is fulfilled for a number of grains across the thickness t higher than a critical value (t/d)_c = 14. For t/d lower than (t/d)_c, a multicrystalline regime is evidenced highlighting a strong reduction in flow stress. The high value of (t/d)_c is related to the low-stacking fault energy of cobalt in the basal plane. The size effect is predominant in the first work hardening stage where slip mechanisms and stacking faults predominate. In the second stage, driven by mechanical twinning processes, this effect is less sensitive. Finally, the size effect could also affect the end of the elastic stage, in link with nonlinear elasticity mechanisms.     

Study of ferroelectric nanodomains and the effect of grain size in BaTiO3 ceramics

Nanodomains and grain-size effects in BaTiO₃ have been studied theoretically. In this article, we have calculated the long-range Coulomb interaction between ferroelectric nanodomains in a single BaTiO₃ grain, and obtained information on the domain structure at various temperatures and grain sizes. The relation between transition temperature and the grain size is obtained by incorporating the domain-wall energy, the surface energy, and the stress energy into the Landau–Ginzburg free-energy density. The results show that 180° domains exist in ferroelectric BaTiO₃ nanoceramics. At room temperature, with the decreasing grain size, the domain width does not decrease monotonically; when the grain size reduces to 18?nm, the grain becomes a single domain, and when less than 12?nm, the ferroelectric phase disappears. With the decreasing grain size the temperature of the cubic-tetragonal phase transition is reduced, while the temperatures of the tetragonal–orthorhombic and orthorhombic–rhombohedral phase transitions reach a maximum when the grain sizes are in the vicinity of 200?nm. The theoretical results are compared with experimental data.     

Electrical properties of thin films of a-Ga x Te100− x composed of nanoparticles

Thin films of Ga _x Te_{100? x} (x?=?3, 6, 9 and 12) have been synthesized by thermal evaporation. From SEM images, it is observed that all the films contain nanoparticles of sizes varying from 100 to 200?nm. The dc electrical conductivity of the as-deposited films of Ga _x Te_100?x nanoparticles is measured as a function of temperature range from 298 to 383?K, and increases exponentially with temperature. The value of the activation energy, calculated from the slope of ln?σ _dc versus 1000/T plots, is found to decrease with increase in the Ga content. On the basis of the value of the pre-exponential factor σ _o, it is suggested that the conduction is due to thermally assisted tunneling of carriers in localized states near the band edges. The optical measurements suggest an indirect optical band gap in this system. The value of the optical band gap decreases on increasing the Ga concentration.     

Interfacial precipitation of the M5B3-type boride in Ni-based superalloys

Microstructural characteristics of an experimental Ni-based superalloy with boron addition subjected to a long-term ageing treatment were systematically investigated by various kinds of transmission electron microscopy technique. Based on detailed electron diffraction analyses, we found that there are many nanosized M₅B₃ precipitates in our long-term ageing alloys, which keeps a good orientation relationship with the γ/γ′ matrix. Furthermore, the precipitation characteristics of M₅B₃ phase were clarified. It is found that the M₅B₃-type boride prefers to precipitate at the γ/γ′ interfaces and low-angle grain boundaries. These interfacial nanosized precipitates can play the role of pinning effect and are expected to be advantageous for postponing the γ′ rafting and low-angle grain boundary migration to some extent at high temperature.     

Investigations of the optical spectra and EPR g-factors for the tetragonal Ce3+ centers in YPO4 and LuPO4 crystals

The optical spectral band positions and EPR g-factors (g_‖ , g _⊥) for the tetragonal Ce³⁺ centers in YPO₄ and LuPO₄ crystals with the zircon-structure are calculated using a complete diagonalization (of the energy matrix) method (CDM) related to 4f¹ ions in tetragonal symmetry. In this method, the Zeeman interaction term are added to the Hamiltonian in the conventional CDM and so no perturbation calculations are required to obtain the g factors. The crystal-field parameters used in the calculations are obtained from the superposition model in which the local lattice relaxation related to the bonding lengths is considered. The calculated results are in reasonable agreement with the experimental values. It is found that the four observed optical bands for both the systems can be attributed to Ce³⁺ ions in a tetragonal crystal field.     

Hydrogen-assisted damage in austenite/martensite dual-phase steel

For understanding the underlying hydrogen embrittlement mechanism in transformation-induced plasticity steels, the process of damage evolution in a model austenite/martensite dual-phase microstructure following hydrogenation was investigated through multi-scale electron channelling contrast imaging and in situ optical microscopy. Localized diffusible hydrogen in martensite causes cracking through two mechanisms: (1) interaction between {1?1?0}_M localized slip and {1?1?2}_M twin and (2) cracking of martensite–martensite grain interfaces. The former resulted in nanovoids along the {1?1?2}_M twin. The coalescence of the nanovoids generated plate-like microvoids. The latter caused shear localization on the specific plane where the crack along the martensite/martensite boundary exists, which led to additional martensite/martensite boundary cracking.     

Phase stability of Al3Nb as a function of nickel additions

Abstract

Phase stability of the intermetallic compound Al₃Nb is investigated as a function of nickel additions by band structure calculations based on an extended Hueckel tight-binding method. With this method, the electronic structure and total energies of the Al_6-n -Ni _n Nb₂ compounds (where n is an integer from 0 to 6) are calculated for both D0₂₂ and L1₂ structures under the assumption that nickel substitutes for aluminium. The electronic total energies obtained from integration of the energy states of all electrons considered have shown that the D0₂₂ structure is stable in the binary Al₃Nb compound as compared with the L1₂ structure; conversely, the L1₂ structure is stable for compounds with n values greater than 1. These calculations are in good agreement with X-ray diffraction results reported by Schubert and co-workers. Differences in the electronic total energy per atom between D0₂₂ and L1₂ are - 0·79 eV and 0·56 eV for n equal to 0 and 2, respectively.     

Atomic configurations of twin boundaries and twinning dislocation in superconductor Y0.6Na0.4Ba2Cu2.7Zn0.3O7− δ

Two types of twin boundaries in superconductor Y_0.6Na_0.4Ba₂Cu_2.7Zn_0.3O_{7? δ} , the cation-centered and oxygen-centered types, and the associated twinning dislocation have been studied by high-resolution electron microscopy. The structure map projected in the [001] direction was obtained from a single image by means of the image deconvolution technique. In this map, all columns of metallic atoms appear as individual black dots, and hence the two types of twin boundaries are distinguished from each other at atomic level. It is seen that the twinning dislocation occurs when the two types of twin boundaries meet each other. The structure model of the twinning dislocation together with the two types of twin boundaries has been derived straightforwardly based on the positions of black dots seen in the deconvoluted image.     

Controllable electron-momentum filter in a δ-doped magnetically modulated semiconductor nanostructure

ABSTRACT

We have theoretically investigated the control of wave-vector filtering (WVF) by introducing δ-doping into a magnetically modulated nanostructure fabricated by depositing ferromagnetic stripes on top and bottom of a GaAs/Al_xGa_{1 ?x}As heterostructure. With the help of an improved transfer matrix method, the Schrödinger equation for electrons in this semiconductor nanostructure is solved exactly and the transmission efficient calculated numerically. We demonstrate that the WVF efficiency is associated closely with the weight and position of the δ-doping, which may be helpful for designing a controllable electron-momentum filter based on such a magnetically modulated semiconductor nanostructure.     

Effect of severe plastic deformation on the coercivity of Co–Cu alloys

Cast Co–5.6 wt% Cu and Co–13.6 wt% Cu alloys were subjected to severe plastic deformation (SPD) by high-pressure torsion (HPT). The HPT treatment drastically decreases the size of the Co grains (from 20 µm to 100 nm) and the Cu precipitates (from 2 µm to 10 nm). As a result, the coercivity H _c of both the alloys radically increases. The saturation magnetization, M _s, remains almost unchanged. Thus, SPD of the bulk samples opens the way for drastic increase in the coercivity for the Co-based alloys.     

Constructive Logic with Strong Negation is a Substructural Logic. I

The goal of this two-part series of papers is to show that constructive logic with strong negation N is definitionally equivalent to a certain axiomatic extension NFL _ew of the substructural logic FL _ew . In this paper, it is shown that the equivalent variety semantics of N (namely, the variety of Nelson algebras) and the equivalent variety semantics of NFL _ew (namely, a certain variety of FL _ew -algebras) are term equivalent. This answers a longstanding question of Nelson [30]. Extensive use is made of the automated theorem-prover Prover9 in order to establish the result. The main result of this paper is exploited in Part II of this series [40] to show that the deductive systems N and NFL _ew are definitionally equivalent, and hence that constructive logic with strong negation is a substructural logic over FL _ew . Presented by Heinrich Wansing