Investigating the thermoelectric properties of Na0.74Co1−xNbxO2 (x = 0.05,0.10) at high temperature region

Here, the thermoelectric (TE) properties of Na_0.74Co${}_{1-x}$Nb_xO₂ ($x=0.05,0.10$) compounds are investigated experimentally and computationally. The experimental measurements are conducted in $300-620$ K. Positive sign of Seebeck coefficient for both the compounds indicates the dominating p-type character. The maximum experimental values of ZT are observed as ∼ 0.12 and ∼ 0.19 at 620 K for $x=0.05$ and $x=0.10$, respectively. The experimental transport properties of these compounds are understood by employing spin-polarized GGA+U (= 4 eV) electronic structure calculations on $x=0.0625$ compound. On the basis of best experimental and computational matching of transport properties, we have estimated ZT till 1200 K computationally. The highest calculated values of ZT are ∼ 1.36 and ∼ 1.22 at 1200 K for $x=0.05$ and $x=0.10$, respectively. The optimum value of efficiency for $x=0.05$ is calculated as ∼ 6.4%, whereas it reaches ∼ 7.5% for $x=0.10$.     

The investigation of structural,electronic, elastic and thermodynamic properties of Gd1−xYxAuPb alloys: A first principle study

First principle calculations have been employed to investigate the effects of Y concentration, pressure and temperature on various properties of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ ($x=0,0.25,0.5,0.75,1$) alloys using density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) is used to perform the calculated results of this paper. Phase stability of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ alloys is studied using the total energy versus unit cell volume calculations. The equilibrium lattice parameters of these alloys are in good agreement with the available experimental results. The mechanical stability of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ alloys is proved using elastic constants calculations. Also, the influence of Y concentration on elastic properties of ${\mathrm{Gd}}_{1?x}{\mathrm{Y}}_x\mathrm{AuPb}$ alloys such as Young's modulus, shear modulus, Poisson's ratio and anisotropy factor are investigated and analyzed. By considering both Pugh's ratio and Poisson's ratio, the ductility and brittleness of these alloys are studied. In addition, the total density of states and orbital's hybridizations of different atoms are investigated and discussed. Moreover, the effect of pressure and temperature on some important thermodynamic properties is investigated.     

Synthesis and microwave dielectric properties of an electronic ceramic Y2WO6 for wireless communications

Y₂WO₆ ceramics were fabricated via a solid-state reaction method and investigated structure stability, densification, microstructure, and dielectric properties at microwave frequency range. Y₂WO₆ crystallized in a monoclinic structure and stabilized to 1500 ^∘C, beyond which the decomposition of Y₆WO₁₂ occurred. Y₂WO₆ ceramic could be sintered into a compact bulk at 1450 ^∘C, which was characterized by a high relative density ∼ 97.6% and a dense microstructure. The favorable dielectric performances were achieved at 1450 ^∘C with a relative permittivity ${\epsilon }_r\sim 11.4$, a quality factor $Q\times f\sim 42,380$ GHz ($f=8.6$ GHz), and a temperature coefficient of resonant frequency ${\tau }_f\sim -49.0$ ppm/^∘C. The MW properties of Y₂WO₆ suggest that it could be useful candidate material for low-loss dielectric resonators.     

On the redox reactions between allyl radicals and NOx

NO_x mitigation is a central focus of combustion technologies with increasingly stringent emission regulations. NO_x can also enhance the autoignition of hydrocarbon fuels and can promote soot oxidation. The reaction between allyl radical (C₃H₅) and NO_x plays an important role in the oxidation kinetics of propene. In this work, we measured the absolute rate coefficients for the redox reaction between C₃H₅ and NO_x over the temperature range of 1000–1252 K and pressure range of 1.5–5.0 bar using a shock tube and UV laser absorption technique. We produced C₃H₅ by shock heating of C₃H₅I behind reflected shock waves. Using a Ti:Sapphire laser system with frequency quadrupling, we monitored the kinetics of C₃H₅ at 220 nm. Unlike low-temperature chemistry, the two target reactions, C₃H₅ + NO → products (R1) and C₃H₅ + NO₂ → products (R2), exhibited a strong positive temperature dependence for this radical-radical type reaction. However, these reactions did not show any pressure dependence over the pressure range of 1.5–5.0 bar, indicating that the measured rate coefficients are close to the high-pressure limit. The measured values of the rate coefficients resulted in the following Arrhenius expressions (in unit of cm³/molecule/s):$k_1\left({\mathrm{C}}_3{\mathrm{H}}_5+\text{NO}\right)=1.49\times {10}^{?10}\exp \left(?6083.6\frac{\mathrm{K}}{T}\right)\left(1017?1252K\right)$$k_2\left({\mathrm{C}}_3{\mathrm{H}}_5+\mathrm{N}{\mathrm{O}}_2\right)=1.71\times {10}^{?10}\exp \left(?3675.7\frac{\mathrm{K}}{T}\right)\left(1062?1250K\right)$To our knowledge, these are the first high-temperature measurements of allyl + NO_x reactions. The reported data will be highly useful in understanding the interaction of NO_x with resonantly stabilized radicals as well as the mutual sensitization effect of NO_x on hydrocarbon fuels.     

New findings for two new type sine hyperbolic potentials

We propose two new type sine hyperbolic potentials $V(x)=a^2{\sinh }^2?(x)?k{\tanh }^2?(x)$ and $V(x)=c^2{\sinh }^4?(x)?k{\tanh }^2?(x)$. They may become single- or double-well potentials depending on the potential parameters $a,c$ and k. We find that its exact solutions can be written as the confluent Heun functions $H_c(\alpha ,\beta ,\gamma ,\delta ,\eta ;z)$, in which the energy level E is involved inside the parameter η. The properties of the wave functions, which is strongly relevant for the potential parameters $a,c$ and k, are illustrated.     

Multiferroic behaviors of Co-doped Bi4NdTi3FeO15 ceramics

By using a multicalcination procedure, Co-doped Bi₄NdTi₃Fe${}_{1?x}$Co_xO₁₅ ($x=0.1,0.3,0.5\text{ and }0.7$) (Co_x) ceramics were synthesized. The samples showed a single-phase (SP) Aurivillius structure containing four perovskite layers. Plate-like morphology of the grains which is related to the layered perovskite structure of the samples was clearly observed by SEM. The multiferroic properties of the samples at room temperature (RT) were demonstrated by dielectric, ferroelectric and magnetic measurements. With x ranging from 0.1 to 0.7, all the samples show RT multiferroic properties although there is no obvious regularity between the Co content and the multiferroic property. Very interestingly, Co_0.3 sample exhibits the optimum RT magnetic property, which can be attributed to the inclination of occupying the inner octahedra center for doped Co ions and the nearly 1:1 ratio of Fe and Co ions in the inner octahedra. The present work offers new insight into the compositional design of promising lead-free RT multiferroic materials.     

Topological states in the Hofstadter model on a honeycomb lattice

We provide a detailed analysis of a topological structure of a fermion spectrum in the Hofstadter model with different hopping integrals along the $x,y,z$-links ($t_x=t,t_y=t_z=1$), defined on a honeycomb lattice. We have shown that the chiral gapless edge modes are described in the framework of the generalized Kitaev chain formalism, which makes it possible to calculate the Hall conductance of subbands for different filling and an arbitrary magnetic flux ϕ. At half-filling the gap in the center of the fermion spectrum opens for $t>t_c=2^{\varphi }$, a quantum phase transition in the 2D-topological insulator state is realized at $t_c$. The phase state is characterized by zero energy Majorana states localized at the boundaries. Taking into account the on-site Coulomb repulsion U (where $U<<1$), the criterion for the stability of a topological insulator state is calculated at $t<<1$, $t\sim U$. Thus, in the case of $U>4\mathrm{\Delta }$, the topological insulator state, which is determined by chiral gapless edge modes in the gap Δ, is destroyed.     

Exchange bias behavior and magnetocaloric effect in Ni2In-type Mn7Sn4 alloy

In this work, the exchange bias behavior and magnetocaloric effect have been studied in Mn₇Sn₄ alloy. The X-ray powder diffraction pattern recorded at room temperature indicates that the sample crystallizes in a single phase with Ni₂In-type hexagonal structure (space group $P{6}_3/\mathit{mmc}$). The maximum magnetic entropy change value across paramagnetic/ferrimagnetic transition is about 3.3 J kg⁻¹ K⁻¹ under the magnetic field change of ${\mu }_0\mathrm{\Delta }H=0\text{-}5\text{T}$. With further cooling, the reentrant spin-glass-like state is obtained below 150 K, for which the exchange bias effect has been observed. The exchange bias field is ∼7.8 mT and ∼6.7 mT at $T=10\text{K}$ when the cooling field is ${\mu }_0{H}_{\mathrm{CF}}=0.1\text{T}$ and 0.5 T, respectively. The magnetic behavior and the origin of exchange bias in Mn₇Sn₄ are discussed.     

Boron and nitrogen co-doped graphene nanosheets for NO and NO2 gas sensing

Using dispersion-corrected density functional theory calculations, the adsorption behavior of NO and NO₂ molecules is studied over B-doped and BN co-doped graphene sheets (BC_mN_n-Gr; $m,n=0,1,2,3$ and $m+n=3$). To examine practical gas sensing application and selectivity, the adsorption of H₂O, CO and CO₂ molecules is also studied on the BC_mN_n-Gr surfaces. It is found that the preferred adsorption site for the adsorption of these molecules is above the B atom due to accumulation of a local positive charge. Meanwhile, the incorporation of nitrogen atoms in BC_mN_n-Gr makes a substantial increase in the adsorption energies of NO and NO₂, mainly due to the shift in the Fermi energy and electron (donor) concentration states of these surfaces. According to our results, the electronic structure of BC₃-Gr, BC₂N-Gr and BCN₂-Gr is sensitive to NO and NO₂ as evidenced by relatively large variation of the electronic structure as well as charge-transfer values. To address the curvature effect of BC_mN_n-Gr nanosheets on the adsorption and sensing properties of NO and NO₂, the adsorption of these molecules is also investigated over B-doped and BN-codoped ($6,6$) carbon nanotubes. The calculations also indicate that BN co-doped graphene sheets can be used as an efficient and promising gas sensing material for detecting NO and NO₂ molecules in the presence of H₂O, CO and CO₂.     

On the weakly-bound (1,1)-states in the three-body ddμ and dtμ muonic ions

The both total and binding energies of the $(1,1)$-states in the weakly-bound three-body muonic ddμ and dtμ ions are determined to high numerical accuracy. The binding energy of the $(1,1)$-state in the muonic dtμ ion is evaluated as $\epsilon (dt\mu )=?0.66033003831(30)\text{eV}$, while for the same state in the muonic ddμ ion we have found that $\epsilon (dd\mu )=?1.9749806166970(30)\text{eV}$. These energies are the most accurate numerical values obtained for these systems and they are sufficient for all current and future experimental needs.     

Estimation of cosmological parameters,stability analysis and energy conditions in viable modified gravity

In the present paper, we have investigated the Friedmann-Robertson-Walker (FRW) model in viable f(R, T) gravity with f(R, T) function proposed as $f(R,T)=R+\xi T^{1/2},$ where ξ is an arbitrary constant, R is the scalar curvature and T is the trace of stress energy tensor. Defining the scale factor, the field equations are solved numerically and the energy conditions are analyzed. Further, determining Hubble parameter and deceleration parameter, their present values are estimated. Furthermore, 57 redshift data (42 redshift data from Supernova Cosmology project and 15 redshift data from Calán/ Tolono Supernova survey) are used to estimate the age of the universe and to find the best fit curves for luminosity distance and apparent magnitude.     

Modeling of anisotropic spheres in extended teleparallel theory with matter coupling

This work is devoted to investigate the structures of compact stars by using spherically static symmetric space-time in the background of $f(\tau ,T)$ gravity, where $\tau$ represents the torsion scalar and $T$ represents the trace of the energy momentum tensor. We develop the field equations by using the concept of quintessence to discuss the motion by using anisotropic fluid distribution with a spherically symmetric metric. We use the convention of junction conditions to evaluate the unknown parameters used in the study of the compact stars. In this study we use the available data of three different compact objects $4U1608-52,$ $CenX-3$ and $EXO1785-240$. We discuss the physical and analytical existence of compact stars by satisfying some standard properties of compact stars like the behavior of the energy density, quintessence density, radial and tangential pressures, anisotropy, to elaborate the anisotropic nature of the star. We discuss the sound speeds and casuality conditions to show the stability of the system. Equilibrium of the star is justified by the TOV equation. Red-shift function, compactness, and mass function states the physical existence of the star. It is examined that all these parameters show the viability and stability of the model used in the effects of $f(\tau ,T)$ gravity.     

Duality between the SU(2) lattice gauge model and bosonic t − J model

We investigate the duality between the $SU(2)$ lattice gauge model and the bosonic $t-J$ model. We construct the relations between the gauge field operators and particle operators, and map the low-energy regime of the $SU(2)$ lattice gauge model to a $U(1)$ bosonic $t-J$ model coupled with a $U(1)$ gauge field. The mapped model can be interpreted as a bosonic $t-J$ model with particle-hole symmetry, or a mean-field form of the bosonic $t-J$ model with the coexistence of a two-particle pairing and four particle-pairing. The duality between the lattice gauge model and the bosonic $t-J$ model provides a direct connection between gauge theory and strongly correlated systems.     

Thermodynamic calculation of spin scaling functions

Critical phenomena theory centers on the scaled thermodynamic potential per spin $?(\beta ,h)=|t{|}^{p}Y(h|t{|}^{?q})$, with inverse temperature $\beta =1/T$, $h=?\beta H$, ordering field H, reduced temperature $t=t(\beta )$, critical exponents p and q, and function $Y(z)$ of $z=h|t{|}^{?q}$. I discuss calculating $Y(z)$ with the information geometry of thermodynamics. Scaled solutions are found to obtain with three admissible functions $t(\beta )$: 1) $t=e^{?J\beta }$, 2) $t={\beta }^{?1}$, and 3) $t={\beta }_C?\beta$, where J and ${\beta }_C$ are constants. For $p=q$, information geometry yields $Y(z)=\sqrt{1+z^2}$, consistent with the one-dimensional (1D) ferromagnetic Ising model.