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.     

Investigation of the kinetics of conjugated diolefins using UV absorption spectroscopy

Conjugated diolefins are not only crucial intermediates in larger hydrocarbon pyrolysis and oxidation, but also key species in the formation and growth of polycyclic aromatic hydrocarbons (PAHs). In this work, we employed a sensitive UV laser diagnostic to measure absorption cross-sections and decomposition rates of three conjugated diolefins, namely 1,3-butadiene, 2-methyl-1,3-butadiene (isoprene), and 2,3-dimethyl-1,3-butadiene. The single-pass UV absorption diagnostic achieved a ppm-level detection limit between the wavelengths of 212.5 and 220.5 nm. The use of dilute conditions (119 – 500 ppm fuel in argon) enabled nearly isothermal measurements despite reaction enthalpy. Temperature-dependent absorption cross-sections were measured from room temperature to 1850 K and pressures ranging 0.75 – 1.50 bar in a shock tube. Decomposition of the molecules was observed at temperatures above ∼ 1350 K, and all three molecules exhibited similar activation energy. Around 1800 K, 2,3-dimethyl-1,3-butadiene decomposed twice as fast as isoprene and 4 times faster than 1,3-butadiene. Our measured overall decomposition rate coefficients are given as (unit of s ^− 1, ± 20% uncertainty):$\begin{array}{ccc}& & k_1\left(1,3-\text{butadiene}\right)=9.65\times {10}^9{e}^{\left(\frac{-24,338K}{T}\right)}(1411-1823\mathrm{K})\hfill \\ & & k_2\left(\text{isoprene}\right)=1.86\times {10}^{10}{e}^{\left(\frac{-24,341K}{T}\right)}(1464-1829\mathrm{K})\hfill \\ & & k_3\left(2,3-\text{dimethyl}-1,3-\text{butadiene}\right)=8.64\times {10}^{10}{e}^{\left(\frac{-25,845K}{T}\right)}(1401-1822\mathrm{K})\hfill \end{array}$1,3-Butadiene decomposition rate coefficients agree well with previous measurement at similar pressures. To our knowledge, this work reports first measurements of the decomposition rate coefficients of isoprene and 2,3-dimethyl-1,3-butadiene. As an additional application of the current UV diagnostic, we measured 1,3-butadiene decay time-histories during fuel-lean oxidation and compared our data with the predictions of AramcoMech 3.0. We updated the model with our measured 1,3-butadiene decomposition rate coefficients, which significantly improved the model prediction of fuel oxidation.     

Monte Carlo simulation of electric conductivity for pure and doping fullerene (C60)

In this paper, we have used Monte Carlo (MC) method to simulate and study the temperature and doping effects on the electric conductivity of fullerene (C60). The results show that the band gap has reduced by the doping and the charge carrier transport is facilitated from valence band to conduction band by the temperature where is touched a 300 K. In this case, the conductivity reached a value of $4\times {10}^{-7}\text{S}{\text{cm}}^{-1}$. The electric conductivity of C60 can increase by the triphenylmethane dye crystal violet (CV) alkali metal to reach $4\times {10}^{-3}\text{S}{\text{cm}}^{-1}$ at 303 K. Our results of MC simulation have a good agreement with those extracted from literature [10], [33].     

Experimental determination of interfacial energy for solid Al in the Al-Sn-Mg eutectic system with Bridgman-type apparatus

The equilibrated grain boundary groove shape of solid Al in equilibrium with Al-Sn-Mg eutectic liquid was observed by using a Bridgman type directional solidification apparatus. The ratio of the thermal conductivity of the equilibrated liquid to the thermal conductivity of solid Al has been obtained as 0.91. In addition, the average Gibbs-Thomson coefficient, $\bar{\mathrm{\Gamma }}=(4.20\pm 0.35)\times {10}^{-8}\mathrm{Km}$, the solid-liquid interfacial energy, ${\sigma }_{SL}=180.68\pm 23.48\text{mJ}/{\text{m}}^2$ and the grain boundary energy, ${\sigma }_{GB}=309.30\pm 29.47\text{mJ}/{\text{m}}^2$, in the Al/Al-Sn-Mg system have been calculated from the measured grain boundary shapes.     

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.     

Thermal properties of triangle nitrogen-doped graphene nanoribbons

We investigate the thermal properties of triangle nitrogen-doped graphene nanoribbons (TNGNs) with different nitrogen-doped concentrations (0.11% to 2.31%) at different temperatures ($200\text{K}～600\text{K}$) using non-equilibrium molecular dynamics. The results show that the nitrogen atoms doped at the edge of the defect can increase the thermal conductivity of graphene nanoribbons, but with the increase of the nitrogen-doped concentrations from 0.11% to 2.31%, the thermal conductivity decreases sharply. In addition, nitrogen atoms reduces the sensitivity of the thermal conductivity to temperature. Besides, the thermal rectification is found, and it increases with the raise of nitrogen-doped concentration. Finally, in order to verify the correctness of the thermal rectification, we calculate the phonon power spectra of TNGNs with nitrogen-doped concentrations of 0.11% and 2.31% at 300 K. These research has important reference value for the control of heat in microelectronic devices.     

A study on the phase transformation behaviour of Cu-20wt.Sn alloy produced using powder metallurgy method: Experimental and molecular dynamics modelling

In this study, Cu-20wt.Sn alloy was produced by powder metallurgy (PM) method by using high purity element powders. The phases in the microstructure of the produced alloy were determined by XRD study. The phase transformation behaviour of the alloy was investigated by DSC and modelling method. Moreover, the Cu-20wt.Sn alloy system was modelled with molecular dynamics (MD) simulation based on modified Embedded Atom Method (MEAM). The radial distribution function (RDF) was calculated to determine the structural properties of system during the phase transformations. The experimental results showed that the transformation ($\alpha +\delta$) → ($\alpha +\gamma$) occur at temperature above 500°C. The simulation results showed that the phase transformation $\alpha +\delta \to \alpha +\gamma$ occurs at 550°C temperature. Our simulation results are in reasonable agreement with the experimental data.     

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.     

Resonant light absorption and plasmon tunability of lateral triangular Au nanoprisms array

Optical characteristics and electric field distribution of triangular Au nanoprism in a unit and units array under polarized light irradiation were systematically studied by numerical simulation with finite difference time domain method. It is found that the plasmonic properties of the triangular nanoprism are dominated by the electric polarization rather than the wave propagation. The triangular nanoprism presents similar optical response with a strong dipole band under different wave propagations if the electric polarization vectors are parallel to the triangular cross section. The lateral triangular Au nanoprisms array possesses a large tunability of the plasmonic properties contributed from the combined influence of inter-particle distance, particles size, polarization angle and even environmental medium. From the plasmon band shift versus the refractive index, ultra-high local surface plasmon resonance sensitivity (509.96 nm/RIU, figure of $\text{merit}=5.55$) is reached at $\sim 850\text{nm}$, making this array promising for biochemical sensing applications.     

Terahertz generation in quantum cascade structures by two-color deriving fields: An approach to reach inversion population via optical pumping

In this paper, a quantum cascade laser (QCL) design is proposed based on GaAs/AlGaAs material system, which simultaneously operates at three widely separated wavelengths (${\lambda }_1=11.1\mu m,{\lambda }_2=14.1\mu m$ and ${\lambda }_{THz}=60\mu m$). In the design, all the wavelength radiations are achieved by the engineering of the electronic spectrum via the quantum-well widths and the applied electric field in a single active region within a same waveguide. The mid-infrared (mid-IR) wavelengths are obtained by adoption a dual-upper-state active region, and the proposed design aims to use both the mid-IR radiations as the coherent deriving fields to populate the upper THz lasing state to aid the THz-laser population inversion via optical pumping instead of direct electrical injection. A detailed analysis of electronic transport in the structure is carried out using a multi-level rate-equation model. The results show that the proposed structure offers an alternative approach to room temperature THz generation in QCLs.     

PDM-charged particles in PD-magnetic plus Aharonov–Bohm flux fields: Unconfined “almost-quasi-free” and confined in a Yukawa plus Kratzer exact solvability

Using azimuthally symmetrized cylindrical coordinates, we consider some position-dependent mass (PDM) charged particles moving in position-dependent (PD) magnetic and Aharonov–Bohm flux fields. We focus our attention on PDM-charged particles with $m\left(\overrightarrow{r}\right)=g\left(\rho \right)=\eta f\left(\rho \right)\exp (-\delta \rho )$ (i.e., the PDM is only radially dependent) moving in an inverse power-law-type radial PD-magnetic fields $\overrightarrow{B}=B_{\circ }(\mu /{\rho }^{\sigma })\widehat{z}$. Under such settings, we consider two almost-quasi-free PDM-charged particles (i.e., no interaction potential, $V\left(\overrightarrow{r}\right)=0$) endowed with $g\left(\rho \right)=\eta /\rho$ and $g\left(\rho \right)=\eta /{\rho }^2$. Both yield exactly solvable Schrödinger equations of Coulombic nature but with different spectroscopic structures. Moreover, we consider a Yukawa-type PDM-charged particle with $g\left(\rho \right)=\eta \exp (-\delta \rho )/\rho$ moving not only in the vicinity of the PD-magnetic and Aharonov-Bohm flux fields but also in the vicinity of a Yukawa plus a Kratzer type potential force field $V\left(\rho \right)=-V_{\circ }\exp (-\delta \rho )/\rho -V_{{}_1}/\rho +V_{{}_2}/{\rho }^2$. For this particular case, we use the Nikiforov-Uvarov (NU) method to come out with exact analytical eigenvalues and eigenfunctions. Which, in turn, recover those of the almost-quasi-freePDM-charged particle with $g\left(\rho \right)=\eta /\rho$ for $V_{\circ }=V_{{}_1}=V_{{}_2}=0=\delta$. Energy levels crossings are also reported.