Ignition by moving hot spheres in H2-O2-N2 environments

A combined experimental and numerical study was carried out to investigate thermal ignition by millimeter size ($d=6$ mm) moving hot spheres in H₂-O₂-N₂ environments over a range of equivalence ratios. The mixtures investigated were diluted with N₂ to keep their laminar flame speed constant and comparable to the sphere fall velocity (2.4 m/s) at time of contact with the reactive mixture. The ignition thresholds (and confidence intervals) were found by applying a logistic regression to the data and were observed to increase from lean ($\Phi =0.39$; T_sphere = 963 K) to rich ($\Phi =1.35$; T_sphere = 1007 K) conditions. Experimental temperature fields of the gas surrounding the hot sphere during an ignition event were, for the first time, extracted using interferometry and compared against simulated fields. Numerical predictions of the ignition thresholds were within 2% of the experimental values and captured the experimentally observed increasing trend between lean and rich conditions. The effect of stoichiometry and dilution on the observed variation in ignition threshold was explained using 0-D constant pressure delay time computations.     

Reference natural gas flames at nominally autoignitive engine-relevant conditions

Laminar natural gas flames are investigated at engine-relevant thermochemical conditions where the ignition delay time τ is short due to very high ambient temperatures and pressures. At these conditions, it is not possible to measure or calculate well-defined values for the laminar flame speed s_l, laminar flame thickness δ_l, and laminar flame time scale ${\tau }_l={\delta }_l/s_l$ due to the explosive thermochemical state. Here, the corresponding reference values, s_R, δ_R, and ${\tau }_R={\delta }_R/s_R,$ that account for the effects of autoignition, are numerically estimated to investigate the enhancement of flame propagation, and the competition with autoignition that arises under nominally autoignitive conditions (characterised here by the number τ/τ_R). Large values of τ/τ_R indicate that autoignition is unimportant, values near or below unity indicate that flame propagation is not possible, and intermediate values indicate that a combination of both flame propagation and autoignition may be important, depending upon factors such as device geometry, turbulence, stratification, et cetera. The reference quantities are presented for a wide range of temperatures, equivalence ratios, pressures, and hydrogen concentrations, which includes conditions relevant to stationary gas turbine reheat burners and boosted spark ignition engines. It is demonstrated that the transition from flame propagation to autoignition is only dependent on residence time, when the results are non-dimensionalised by the reference values. The temporal evolution of the reference values are also reported for a modelled boosted SI engine. It is shown that the nominally autoignitive conditions enhance flame propagation, which may be an ameliorating factor for the onset of engine knock. The calculations are performed using a recently-developed, detailed 177 species mechanism for C0–C3 chemistry that is derived from theoretical chemistry and is suitable for a wide range of thermochemical conditions as it is not tuned or optimised for a particular operating condition.     

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.     

Theoretical study on UH4, UH8 and UH10 at high pressure

Stable structures of uranium hydrides at 0–550 GPa were studied using genetic algorithm (GA) combined with density functional theory calculations. We investigated two stoichiometries of U–H system, UH₄ and UH₁₀ at high pressure, and properties of UH₄, UH₈ and UH₁₀. The study found that UH₈ is the most stable phase at 100–550 GPa, UH₄ is a stable phase at 100–550 GPa, and UH₁₀ could become stable over 450 GPa. For UH₁₀, the most phase is $Fm\stackrel{￣}{3}m$, which was found to be a superconductor with the transition temperature $T_c=51,21,12,10$ and 15 K at 100, 200, 300, 400 and 550 GPa, respectively.     

Burning characteristics of candle flames in sub-atmospheric pressures: An experimental study and scaling analysis

Burning characteristics (mass burning rate, natural convection boundary layer thickness, flame height and dark zone height) of laminar diffusion flames produced by a candle at sub-atmospheric pressures in the range of P_∞?=?50–100?kPa were experimentally studied in a reduced-pressure chamber; such data are not reported to date. Scaling analysis was performed to interpret the pressure dependence. The new experimental findings for candle flames in the sub-atmospheric pressures were well interpreted by the proposed scaling laws: (1) the mass burning rate was higher for a candle with larger wick length, and it increased with increasing ambient pressure, a stagnant layer B-number model based on natural convection boundary (flame boundary layer thickness) was developed to scale the mass burning rate of candle flames at various pressures; (2) the flame boundary layer thickness was wider in lower pressure and can be well represented by a natural convection boundary layer solution; (3) flame height was higher for a candle with larger wick length, meanwhile the ratio of flame height to burning rate was independent of pressure; (4) the flame dark zone height representing a soot formation length scale changes little with pressure, meanwhile its ratio to the total flame height is scaled with pressure by $P_{\infty }^{?1/2}/L_{w,e}^{3/4}$ (L_w,e is effective wick length inside flame). This work provided new experimental data and scaling laws of candle flame behaviors in sub-atmospheric pressures, which provided information for future characterization and soot modeling for diffusion flames associated with melting and evaporation processes of solid fuels.     

Application of a multiple mapping conditioning mixing model to ECN Spray A

The engine combustion network (ECN) Spray A is modelled using the Reynolds-averaged Navier–Stokes-transported probability density function (RANS-TPDF) approach to validate the application of a new multiple mapping conditioning (MMC) mixing model to multiphase reactive flows. The composition TPDF equations are solved using a Lagrangian stochastic approach and the spray is modelled with a discrete particle approach. The model is first validated under non-reacting conditions (at 900 K) using experimental mixture-fraction data. Reactive simulations are then performed for three different ambient temperatures (800, 900, 1100 K) and oxygen concentrations (13, 15, 21%) at an ambient density of 22.8 kg/m³. The MMC mixing model is compared with the interaction by exchange with the mean (IEM) mixing model. The ignition delay predictions are not sensitive to the mixing model and are predicted well by both the mixing models under all the tested ambient conditions. The IEM model overpredicts the flame lift-off length (FLOL) at high temperature and high oxygen conditions with a mixing constant $C_{?}=2$. The MMC model with $C_{?}=2$ and a target correlation coefficient $r_t=0.935$ between the mixture fraction and a reference variable used to condition mixing predicts good FLOL under all the conditions except 800 K. It is demonstrated that the lift-off length is controllable by changing the target correlation coefficient, while C_? and therefore the mixing fields are held fixed. In comparison to the MMC model, the IEM model predicts a higher variance of temperature conditioned on mixture fraction near the flame base owing to its lacking the property of localness. The mixing distance between the notional TPDF particles in the composition space is also higher with the IEM model and it is demonstrated that by changing r_t, different levels of mixing locality can be achieved.     

Dielectric loss and electromagnetic absorption performance study of 1T/2H-MoS2/Mo2S3 nanocomposites with different ratios

High dielectric loss materials have an important application in electromagnetic (EM) absorption fields. In this paper, the ternary nanocomposites: 1T/2H-MoS₂/Mo₂S₃ with heterogeneous interfaces are synthesized by hydrothermal method. XRD, XPS, FTIR, SEM, and TEM measurements are applied to study the structure, morphology, and composition. The frequency spectra of complex permittivity (ε_r-f) are measured in 2–18 GHz by vector network analyzer. The results show that the nanocomposites have higher dielectric loss angle tangents than the reported 2H-MoS₂ absorbers. Based on the ε_r-f spectra, the reflection loss-frequency curves ($RL-f$) are simulated at given thicknesses. An effective absorption bandwidth of 5.2 GHz (12.8–18 GHz) and a $RL$ peak of −29.49 dB are achieved in a thin thickness of 1.62 mm, which are comparable to the reported 2H-MoS₂ absorbers with complex composition, showing that the 1T/2H-MoS₂/Mo₂S₃ nanocomposites have great application potential as an EM wave absorber in the K_u band.     

An extended flamelet/progress variable model for coal/biomass co-firing flame

Coal/biomass co-firing (CBCF) is regarded as one of the sustainable alternatives to reduce emissions from the utilization of fossil fuels. It features complex reacting stages and fuel streams caused by the asynchronous reaction behaviors of coal and biomass particles, which cannot be represented well by the traditional two-mixture-fractions (2Z) coal flamelet/progress variable (FPV) model. To address this issue, we developed an extended FPV model for the CBCF flame in the present study. Firstly, a three-dimensional (3D) point-particle direct numerical simulation (PP-DNS) was conducted to explore the combustion characteristics of the co-firing flame and served as a reference for the model development. Secondly, an extended FPV model was developed by introducing an extra parameter to distinguish the volatiles sources, and the model performance was evaluated by the $a$ $priori$ study as well as comparison with those of the traditional coal-/bio- 2Z-FPV models. The results showed that there were three reacting stages with four fuel streams in the CBCF flame, and their corresponding flame behaviors were obviously different from each other as demonstrated in both the one-dimensional flamelets and 3D PP-DNS solutions. The $a$ $priori$ results showed that the coal-/bio- 2Z-FPV models would give large deviations in the predictions of gas temperature and major species due to the lack of distinguishing the volatiles sources. In contrast, the extended FPV model could well reproduce the flame behaviors (both temperature and species profiles) for different reacting stages with complex fuel streams in the CBCF flame. This validated the extended FPV model and demonstrated its superiority against the traditional 2Z-FPV models.     

Crossover effects and finite-size scaling on the temperature dependence of paraconductivity in YBa2Cu3O6.9 and Bi2Sr2CaCu30x compounds

An investigation into the superconducting order parameter thermodynamic fluctuations and their manifestations on paraconductivity in cuprate superconductors is done using a renormalized Gaussian approach based on the Ginzburg–Landau theory. The temperature dependence of paraconductivity is affected by repulsive interactions between Cooper pairs and does not follow the universal power laws predicted by the conventional Aslamazov–Larkin theory. In addition to the well known Lawrence–Doniach crossover from three to two dimensions, we also highlight the crossover from one-dimensional to two-dimensional behavior and the crossover from weak two-dimensional to strong two-dimensional critical behavior in the vicinity of the critical temperature. These dimensional crossovers result from the resistance between Cooper pairs due to critical and thermal fluctuations which cause a transition from a metastable state to one with a smaller current. Two illustrative examples (the cases of ${\mathrm{YBa}}_2{\mathrm{Cu}}_3{\mathrm{O}}_{6.9}$ and ${\mathrm{Bi}}_2{\mathrm{Sr}}_2\mathrm{Ca}{\mathrm{Cu}}_3{\mathrm{0}}_x$ compounds) are provided in support of the analysis, so as to demonstrate the usefulness of the approach.     

Structure and propagation of two-dimensional,partially premixed,laminar flames in diesel engine conditions

We investigate the influence of inflow velocity (V_in) and scalar dissipation rate (χ) on the flame structure and stabilisation mechanism of steady, laminar partially premixed n-dodecane edge flames stabilised on a convective mixing layer. Numerical simulations were performed for three different χ profiles and several V_in (V_in = 0.2 to 2.5m/s). The ambient thermochemical conditions were the same as the Engine Combustion Network’s (ECN) Spray A flame, which in turn represents conditions in a typical heavy duty diesel engine. The results of a combustion mode analysis of the simulations indicate that the flame structure and stabilisation mechanism depend on V_in and χ. For low V_in the flame is attached. Increasing V_in causes the high-temperature chemistry (HTC) flame to lift-off, while the low-temperature chemistry (LTC) flame is still attached. A unique speed S_R associated with this transition is defined as the velocity at which the lifted height has the maximum sensitivity to changes in V_in. This transition velocity is negatively correlated with χ. Near $V_{in}=S_R$ a tetrabrachial flame structure is observed consisting of a triple flame, stabilised by flame propagation into the products of an upstream LTC branch. Further increasing the inlet velocity changes the flame structure to a pentabrachial one, where an additional HTC ignition branch is observed upstream of the triple flame and ignition begins to contribute to the flame stabilisation. At large V_in, the LTC is eventually lifted, and the speed at which this transition occurs is insensitive to χ. Further increasing V_in increases the contribution of ignition to flame stabilisation until the flame is completely ignition stabilised. Flow divergence caused by the LTC branch reduces the χ at the HTC branches making the HTC more resilient to χ. The results are discussed in the context of identification of possible stabilisation modes in turbulent flames.     

Spin-orbital coupling and magnetic properties of Ir-based double perovskites with different 5dn (n = 3, 4, 5) states

We have investigated the spin and orbital moments of Ir-based double perovskites with $5d^n$ (n = 3, 4, 5) states by local spin-density approximation with spin-orbital coupling and Hubbard correlation (LSDA+SOC+U). Our calculations reveal that the ratio of orbital to spin momentum $L_z/S_z$ approaches to certain values for the double perovskites with different 5dⁿ (n = 3, 4, 5) shell fillings. Based on d orbits, a spin-orbital coupling model with exchange splitting is proposed and it can well describe the ratio of angular momentums for the compounds. Our model calculations reveal that $L_z/S_z$ is determined by the exchange splitting, spin-orbital coupling as well as the state of shell filling. Our model is well corroborated by the experiments and density-functional calculations.     

Impact of non-ideal transport modeling on supercritical flow simulation

The simulation of a supercritical fluid flow requires sophisticated models for real gas thermodynamic and non-ideal phenomena. They both are presently addressed through the simulation of a non-reacting and reacting high pressure H₂/O₂ splitter-plate configuration. In particular, the diffusion velocity of species is evaluated through the gradient of chemical potential (${\mathbf{d}}_l^{\text{NI}}=X_l{\left(?{\mu }_l\right)}_T$) expressed with the Peng–Robinson equation of state, or with the classical low-pressure approach ${\mathbf{d}}_l^{\mathrm{I}}=?X_l,$ which only uses the gradient of the lth species molar fraction, X_l. In addition, the high pressure binary diffusion coefficients are estimated by the correction of Kurochkin et al. or with the Takahashi approach. The results for the non-reaction case are consistent with the literature for mean and rms values using ${\mathbf{d}}_l^{\mathrm{I}}$. The use of ${\mathbf{d}}_l^{\text{NI}}$ has a limited impact but the temperature profiles become steeper. In the reactive case, the two approaches lead to a difference of 50 K on the average temperature just downstream of the injector and about 100 K further downstream. A non-ideal transport is then required for the modeling of supercritical flow simulation.     

Observation of field induced anomalous quantum criticality in Ce0.6Y0.4NiGe2 compound

We report the results of our investigation of magnetization and heat capacity on a series of compounds Ce${}_{1?x}$Y_xNiGe₂ ($x=0.1,0.2\text{ and }0.4$) under the influence of external magnetic field. Our studies of the thermodynamic quantity $?\mathrm{d}M/\mathrm{d}T$ on these compounds indicate that magnetic frustration persists in Ce_0.9Y_0.1NiGe₂, as also reported for the parent compound CeNiGe₂. The weak signature of this frustration is also noted in Ce_0.8Y_0.2NiGe₂, whereas, it is suppressed in Ce_0.6Y_0.4NiGe₂. Heat capacity studies on Ce_0.9Y_0.1NiGe₂ and Ce_0.8Y_0.2NiGe₂ indicate the presence of a new magnetic anomaly at high field which indicates that quantum criticality is absent in these compounds. However, for Ce_0.6Y_0.4NiGe₂ such an anomaly is not noted. For this later compound, the magnetic field (H) and temperature (T) dependence of heat capacity and magnetization obey $H/T$ scaling above critical fields. However, the obtained scaling critical parameter (δ) is 1.6, which is away from mean field value of 3. This deviation suggests the presence of unusual fluctuations and anomalous quantum criticality in these compounds. This unusual fluctuation may arise from disorderness induced by Y-substitution.     

Activating MoS2 basal planes for hydrogen evolution through the As doping and strain

As a non-precious catalyst for the electrochemical hydrogen evolution reaction (HER), the two-dimensional MoS₂ has been widely studied. To activate the MoS₂ inert basal plane to enable optimal activity, high defect concentration of sulfur vacancies is needed. Herein, based on the first-principles calculations we demonstrate that the HER of MoS₂ can be greatly enhanced by As doping and biaxial strain. We show that the As-doping sites are new catalytic sites and the bonding of H can be greatly enhanced. Moreover, the relative hydrogen adsorption free energy ($\mathrm{\Delta }\mathrm{\Delta }{\mathrm{G}}_{\mathrm{H}}$) can be further manipulated by the strain effect, which efficiently adjusts the catalytic activity. With the synergy of the biaxial strain (2%–3%) and the uniform doping of the As atoms (3.125% concentration), the $\mathrm{\Delta }\mathrm{\Delta }{\mathrm{G}}_{\mathrm{H}}$ can be modulated to zero. Our findings provide a way to achieve the high intrinsic HER activity among molybdenum-sulfide-based catalysts.