Thermal Properties of Jojoba Oil Between $$20\,{^{\circ }}\hbox {C}$$ and $$45\,{^{\circ }}\hbox {C}$$45∘C

Vegetable oils have been widely studied as biofuel candidates. Among these oils, jojoba (Simmondsia chinensis) oil has attracted interest because it is composed almost entirely of wax esters that are liquid at room temperature. Consequently, it is widely used in the cosmetic and pharmaceutical industries. To date, research on S. chinensis oil has focused on to its use as a fuel and its thermal stability, and information about its thermal properties is scarce. In the present study, the thermal effusivity and conductivity of jojoba oil between \(20\,{^{\circ }}\hbox {C}\) and \(45\,{^{\circ }}\hbox {C}\) were obtained using the inverse photopyroelectric and hot-ball techniques. The feasibility of an inverse photopyroelectric method and a hot-ball technique to monitor the thermal conductivity, and the thermal effusivity of the S. chinensis is demonstrated. The thermal effusivity decreased from 538 \(\hbox {W}\cdot \,\hbox {s}^{1/2}\cdot \,\hbox {m}^{-2}\cdot \,\hbox {K}^{-1}\) to 378 \(\hbox {W}\cdot \,\hbox {s}^{1/2}\cdot \,\hbox {m}^{-2}\cdot \,\hbox {K}^{-1}\) as the temperature increased, whereas the thermal conductivity remained the same over the temperature range investigated in this study. The obtained results provide insight into the thermal properties of S. chinensis oil between \(20\,{^{\circ }}\hbox {C}\) and \(45\,{^{\circ }}\hbox {C}\).     

Radiative Properties of Ceramic $$\hbox {Al}_{2}\hbox {O}_{3}$$, AlN and $$\hbox {Si}_{3}\hbox {N}_{4}$$Si3N4—II: Modeling

In Part I of this study (Cheng et al. in Int J Thermophys 37: 62, 2016), the reflectance and transmittance of dense ceramic plates were measured at wavelengths from 0.4 \(\upmu \hbox {m}\) to about 20 \(\upmu \hbox {m}\). The samples of \(\hbox {Al}_{2}\hbox {O}_{3}\) and AlN are semitransparent in the wavelength region from 0.4 \(\upmu \hbox {m}\) to about 7 \(\upmu \hbox {m}\), where volume scattering dominates the absorption and scattering behaviors. On the other hand, the \(\hbox {Si}_{3}\hbox {N}_{4}\) plate is opaque in the whole wavelength region. In the mid-infrared region, all samples show phonon vibration bands and surface reflection appears to be strong. The present study focuses on modeling the radiative properties and uses an inverse method to obtain the scattering and absorption coefficients of \(\hbox {Al}_{2}\hbox {O}_{3}\) and AlN in the semitransparent region from the measured directional-hemispherical reflectance and transmittance. The scattering coefficient is also predicted using Mie theory for comparison. The Lorentz oscillator model is applied to fit the reflectance spectra of AlN and \(\hbox {Si}_{3}\hbox {N}_{4}\) from 1.6 \(\upmu \hbox {m}\) to 20 \(\upmu \hbox {m}\) in order to obtain their optical constants. It is found that the phonon modes for \(\hbox {Si}_{3}\hbox {N}_{4}\) are much stronger in the polycrystalline sample studied here than in amorphous films reported previously.     

Synthesis of $$\hbox {Ag}_{2}\hbox {Se}$$–graphene–$$\hbox {TiO}_{2} $$TiO2 nanocomposite and analysis of photocatalytic activity of $$\hbox {CO}_{2}$$CO2 reduction to $$\hbox {CH}_{3}\hbox {OH}$$CH3OH

The present work deals with the development of a new ternary composite, \(\hbox {Ag}_{2}\hbox {Se}\)–\(\hbox {G}\)–\(\hbox {TiO}_{2}\), using ultrasonic techniques as well as X-ray diffraction (XRD), scanning electron microscopy (SEM), high transmission electron microscopy (HTEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and UV–Vis diffuse reflectance spectra (DRS) analyses. The photocatalytic potential of nanocomposites is examined for \(\hbox {CO}_{2}\) reduction to methanol under ultraviolet (UV) and visible light irradiation. \(\hbox {Ag}_{2}\hbox {Se}\)–\(\hbox {TiO}_{2}\) with an optimum loading graphene of 10 wt% exhibited the maximum photoactivity, obtaining a total \(\hbox {CH}_{3}\hbox {OH}\) yield of 3.52 \(\upmu \hbox {mol}\,\hbox {g}^{-1}\,\hbox {h}^{-1}\) after 48 h. This outstanding photoreduction activity is due to the positive synergistic relation between \(\hbox {Ag}_{2}\hbox {Se}\) and graphene components in our heterogeneous system.     

In situ synthesis and properties of self-reinforced $$\hbox {Si}_{3} \hbox {N}_{4}\textendash \hbox {SiO}_{2}\textendash \hbox {Al}_{2} \hbox {O}_{3}\textendash \hbox {Y}_{2}\hbox {O}_{3} \ (\hbox {La}_{2}\hbox {O}_{3}$$) glass–ceramic composites

In-situ-grown \(\upbeta \!\hbox {-Si}_{3}\hbox {N}_{4}\)-reinforced \(\hbox {SiO}_{2}\textendash \hbox {Al}_{2}\hbox {O}_{3}\textendash \hbox {Y}_{2}\hbox {O}_{3}\) \((\hbox {La}_{2}\hbox {O}_{3})\) self-reinforced glass–ceramic composites were obtained without any \(\upbeta \!\hbox {-Si}_{3}\hbox {N}_{4}\) seed crystal. These composites with different compositions were prepared in a nitrogen atmosphere for comparison of phase transformation and mechanical properties. The results showed that \(\hbox {SiO}_{2}\textendash \hbox {Al}_{2}\hbox {O}_{3}\textendash \hbox {Y}_{2}\hbox {O}_{3}\) \((\hbox {La}_{2}\hbox {O}_{3})\) glass can effectively promote \(\upalpha \)- to \(\upbeta \!\hbox {-Si}_{3}\hbox {N}_{4}\) phase transformation. The crystallized \(\hbox {Y}_{2}\hbox {Si}_{2}\hbox {O}_{7}\textendash \hbox {La}_{4.67}\hbox {Si}_{3}\hbox {O}_{13}\) phases with a high melting point significantly benefited the high-temperature mechanical properties of the composites. The \(\hbox {Si}_{3}\hbox {N}_{4}\textendash \hbox {SiO}_{2}\textendash \hbox {Al}_{2} \hbox {O}_{3}\textendash \hbox {Y}_{2}\hbox {O}_{3}\) \((\hbox {La}_{2}\hbox {O}_{3})\) glass–ceramic composites exhibit excellent mechanical properties compared with unreinforced glass–ceramic matrix, which is undoubtedly attributed to the elongated \(\upbeta \!\hbox {-Si}_{3}\hbox {N}_{4}\) grains. These glass–ceramic \(\hbox {Si}_{3}\hbox {N}_{4}\) composites with excellent comprehensive properties might be a promising material for high-temperature applications.     

Experimental Measurements of Thermophysical Properties of \mathrm{Al}_{2}\mathrm{O}_{3}– and \mathrm{TiO}_{2}–Ethylene Glycol Nanofluids

This paper presents measurements of the thermal conductivity and the dynamic viscosity of $\mathrm{Al}_{2}\mathrm{O}_{3}$ Al 2 O 3 –ethylene glycol and $\mathrm{TiO}_{2}$ TiO 2 –ethylene glycol (1 % to 3 % particle volume fraction) nanofluids carried out in the temperature range from $0\,^{\circ }$ 0 ° C to $50\,^{\circ }$ 50 ° C. The thermal-conductivity measurements were performed by using a transient hot-disk TPS 2500S apparatus instrumented with a 7577 probe (2.001 mm in radius) having a maximum uncertainty $(k=2)$ ( k = 2 ) lower than 5.0 % of the reading. The dynamic-viscosity measurements and the rheological analysis were carried out by a rotating disk type rheometer Haake Mars II instrumented with a single-cone probe (60 mm in diameter and $1^{\circ }$ 1 ° ) having a maximum uncertainty $(k=2)$ ( k = 2 ) lower than 5.0 % of the reading. The thermal-conductivity measurements of the tested nanofluids show a great sensitivity to particle volume fraction and a lower sensitivity to temperature: $\mathrm{TiO}_{2}$ TiO 2 –ethylene glycol and $\mathrm{Al}_{2}\mathrm{O}_{3}$ Al 2 O 3 –ethylene glycol nanofluids show a thermal-conductivity enhancement (with respect to pure ethylene glycol) from 1 % to 19.5 % and from 9 % to 29 %, respectively. $\mathrm{TiO}_{2}$ TiO 2 –ethylene glycol and $\mathrm{Al}_{2}\mathrm{O}_{3}$ Al 2 O 3 –ethylene glycol nanofluids exhibit Newtonian behavior in all the investigated temperature and particle volume fraction ranges. The relative viscosity shows a great sensitivity to the particle volume fraction and weak or no sensitivity to temperature: $\mathrm{TiO}_{2}$ TiO 2 –ethylene glycol and $\mathrm{Al}_{2}\mathrm{O}_{3}$ Al 2 O 3 –ethylene glycol nanofluids show a dynamic viscosity increase with respect to ethylene glycol from (4 to 5) % to 30 % and from 14 % to 50 %, respectively. Present experimental measurements were compared both with available measurements carried out by different researchers and computational models for thermophysical properties of nanofluids.     

Ab Initio Study of Structural,Electronic, and Magnetic Properties of $\mathrm {A}_{1-x}^{\text {III}}$MnxBVI: In1−xMnxS-Diluted Magnetic Semiconductor

First-principles density functional calculations on the new class of diluted magnetic semiconductor \(A_{1-x}^{III}{Mn}_{x}B^{VI}\) In_1?x Mn _x S for x =?0.25 and 0.5 are investigated to study the structural, electronic, and magnetic properties, employing the full-potential linearized augmented plane wave method. Electronic band structures and density of states revealed a half-metallic character of In_1?x Mn _x S and show the stability of anti-ferromagnetic states as compared with ferromagnetic states. The calculated exchange constants J _dd are in good agreement with experimental and theoretical results on magnetic properties of single crystalline \(\mathrm {A}_{1-x}^{\text {III}}{\text {Mn}}_{x}\mathrm {B}^{\text {VI}}\) in the anti-ferromagnetic case. Our predicated calculations on the s,p-d exchange constants N ₀ α and N ₀ β show that they are lower than in \(\mathrm {A}_{1-x}^{\text {II}}{\text {Mn}}_{x}\mathrm {B}^{\text {VI}}\) DMS. The local environment is found tetrahedral as in the II–VI DMS and other (III,Mn) VI compounds. The total magnetic moment for In_1?x Mn _x S for different concentrations is in accordance with the exact value 5 μ _B and comes mainly from impurity Mn. The local magnetic moments of Mn ions are reduced from their free space charges values due to the p-d hybridization which produces small magnetic moments on the nonmagnetic In and S sites. The Curie temperature of In_1?x Mn _x S is calculated within the mean field approximation and compared with other DMS systems.     

Structural and optical properties of diluted magnetic $$\hbox {Ga}_{{1-x}}\hbox {Mn}_{{x}}$$As–AlAs quantum wells grown on high-index GaAs planes

We report on the structural and optical properties of \(\hbox {Ga}_{{1-x}}\hbox {Mn}_{{x}}\hbox {As}\)–AlAs quantum wells (QWs) with \(x = 0.1\%\) grown by molecular beam epitaxy (MBE) on semi-insulating GaAs substrates with orientations (100), (110), (311)B and (411)B. Atomic force microscopy (AFM), X-ray diffraction (XRD) and photoluminescence (PL) techniques were used to investigate these QWs. AFM results have evidenced the formation of Mn-induced islands, which are randomly distributed on the surface. These islands tend to segregate for samples grown on (110) and (411)B planes, while no clear segregation was observed for samples grown on (100) and (311)B orientations. Results show that the PL line width increases with Mn segregation. XRD measurements were used to determine \(2\theta , d\) and cell parameters.     

Effect of the method for producing $$\hbox {}$$–$$\hbox {Cr}_{3}\hbox {C}_{2}$$Cr3C2 bulk composites on the structure and properties

Copper–chromium carbide composites containing a carbide phase of 20–30 vol% were obtained with the use of solid- and liquid-phase mechanosyntheses, followed by magnetic pulse compaction (MPC) and spark plasma sintering. The morphology, structural-phase composition, density, hardness and electrical conductivity of the composites were investigated. The structure of composites obtained by MPC represents regions of copper matrix hardened by superfine carbide precipitates surrounded by a layer of chromium carbide. In the composites obtained by spark plasma sintering, the copper matrix hardened by superfine carbide precipitates was divided into areas surrounded by a copper–chromium layer. A composite obtained by the MPC of the powders synthesized using solid-phase mechanosynthesis (MS) (copper, chromium and graphite) had the highest values of Vickers microhardness (4.6 GPa) and Rockwell hardness (HRA 69). The best value of electrical conductivity (36% IACS) was achieved using liquid-phase MS (copper, chromium and xylene) and spark plasma sintering. Liquid-phase MS is the only way to synthesize the powder with a small amount of the carbide phase and without contamination.     

Magnetic measurements,Raman and infrared spectra of metal–ligand complex derived from $$\hbox {CoCl}_{2}\cdot \hbox {6H}_{2}\hbox {O}$$ and 2-benzoyl pyridine

Nanocrystalline complex of \(\hbox {CoCl}_{2}\cdot 6\hbox {H}_{2}\hbox {O}{-}2\)-benzoyl pyridine is prepared by chemical route. Each component of the desired complex is identified by analysing the X-ray diffractograms. Energy-dispersive X-ray analysis (EDX) data confirmed the presence of the desired elements of the sample. Theoretical optimized structure of the complex was derived using ab initio density functional level of theory (DFT) method of calculation. The average nanocrystallite size estimated from the XRD data is \(\sim \)43 nm. Static magnetic property of the complex is studied in the temperature range from 300 K down to 14 K. The estimated magnetic moment of the complex is high when compared to that of the free ion magnetic moment of \(\hbox {Co}^{2+}\) and this is attributed to the less effect of the crystal field acting on the ion in the organic complex due to which orbital moments are not fully quenched. The magnetic property of the complex is also remarkably enhanced compared to that of the diamagnetic 2-benzoyl pyridine which may be suitable for applications in devices. FTIR and Raman spectra of the ligand, 2-benzoyl pyridine and the synthesized complex are recorded at room temperature, which not only confirm the presence of each phase in the complex, but some interesting results are also extracted from the analyses of different Raman active modes of the complex.     

Electrical and Thermal Characteristics of the Insulator–Metal Transition in Crystalline $$\hbox {V}_{2}\hbox {O}_{5}$$ Films

The electrical and thermal properties with respect to the crystallization in \(\hbox {V}_{2}\hbox {O}_{5}\) thin films were investigated by measuring the resistance at different temperatures and applied voltages. The changes in the crystal structure of the films at different temperatures were also explored using Raman measurements. The thermal diffusivity of the crystalline \(\hbox {V}_{2}\hbox {O}_{5}\) film was measured by the nanosecond thermoreflectance method. The microstructures of amorphous and crystalline \(\hbox {V}_{2}\hbox {O}_{5}\) were observed by SEM and XRD measurements. The temperature-dependent Raman spectra revealed that a structural phase transition does not occur in the crystalline film. The resistance measurements of an amorphous film indicated semiconducting behavior, whereas the resistance of the crystalline film revealed a substantial change near \(250\,{^{\circ }}\hbox {C}\), and Ohmic behavior was observed above \(380\,{^{\circ }}\hbox {C}\). This result was due to the metal–insulator transition induced by lattice distortion in the crystalline film, for which \(T_{\mathrm{c}}\) was \(260\,{^{\circ }}\hbox {C}\). \(T_{\mathrm{c}}\) of the film decreased from 260 \({^{\circ }}\hbox {C}\) to \(230\,{^{\circ }}\hbox {C}\) with increasing applied voltage from 0 V to 10 V. Furthermore, the thermal diffusivity of the crystalline film was \(1.67\times 10^{-7}\,\hbox {m}^{2}\cdot \hbox {s}^{-1}\) according to the nanosecond thermoreflectance measurements.     

Mathematical model of Boltzmann’s sigmoidal equation applicable to the set-up of the RF-magnetron co-sputtering in thin films deposition of $$\hbox {Ba}_{{x}}\hbox {Sr}_{1-{x}} \hbox {TiO}_{3}$$

In this work, we present the stoichiometric behaviour of \(\hbox {Ba}^{2+}\) and \(\hbox {Sr}^{2+}\) when they are deposited to make a solid solution of barium strontium titanate. \(\hbox {Ba}_{{x}}\hbox {Sr}_{1-{x}} \hbox {TiO}_{3}\) (BST) thin films of nanometric order on a quartz substrate were obtained by means of in-situ RF-magnetron co-sputtering at 495\({^{\circ }}\)C temperature, applying a total power of 120 W divided into intervals of 15 W that was distributed between two magnetron sputtering cathodes containing targets of \(\hbox {BaTiO}_{3}\) and \(\hbox {SrTiO}_{3}\), as follows: 0–120, 15–105, 30–90, 45–75, 60–60, 75–45, 90–30, 105–15 and 120–0 W. Boltzmann’s sigmoidal modified equation (Boltzmann’s profile) is proposed to explain the behaviour and the deposition ratio Ba/Sr of the BST as a function of the RF-magnetron power. The Boltzmann’s profile proposal shows concordance with experimental data of deposits of BST on substrates of nichrome under the same experimental conditions, showing differences in the ratio Ba/Sr of the BST due to the influence of the substrate.     

Liquidus Temperatures and Thermodynamic Properties of the KCl–\mathrm{{KNO}}_{2}, NaCl–\mathrm{{NaNO}}_{2}, and \mathrm{{KNO}}_{2}–\mathrm {NaNO}_{2} Systems

Potassium nitrite is very sensitive to temperature, humidity, and the atmosphere, so few studies have been made in this field for the thermodynamic properties of molten salt with nitrite salt. In this article, the liquidus curves of NaCl– $\mathrm{{NaNO}}_{2}$ NaNO 2 , KCl– $\mathrm{{KNO}}_{2}$ KNO 2 , and $\mathrm {NaNO}_{2}$ NaNO 2 – $\mathrm{{KNO}}_{2}$ KNO 2 are calculated by a simple “hard-sphere” ionic interaction model. The calculated liquidus temperatures show good agreement with experimental values, which implies an ideal mixing enthalpy and entropy for the liquid binary systems. In addition to the phase equilibrium data and experimental thermochemical properties of molten salt systems, the activities of these binary systems are determined by the phase diagrams and the analytical integration of the classical Gibbs–Duhem equation.     

Cation substitution induced blue-shift of optical band gap in nanocrystalline $$\hbox {Zn}_{(1-x)} \hbox {Ca}_{x}\hbox {O}$$ thin films deposited by sol–gel dip coating technique

Transparent nanocrystalline \(\hbox {Zn}_{(1-x)}\hbox {Ca}_{x}\hbox {O }(0 \le x \le 0.20)\) thin films were deposited on glass substrates by sol–gel dip coating method. The X-ray diffraction (XRD) pattern revealed the polycrystalline nature of the films with hexagonal wurtzite structure and confirmed the non-existence of the secondary phase corresponding to CaO indicating the monophasic nature of the deposited films. The crystallinity of the films deteriorated with higher dopant concentration due to the segregation or separation of dopant ions in grain boundaries. The lattice parameters and the unit cell volume increased to a higher Ca-dopant concentration. This was due to the successful incorporation of \(\hbox {Ca}^{2+}\) ions with larger ionic radius in the host zinc oxide (ZnO) lattice. The optical transmittance spectra of the samples showed transmittances above 60% in the visible spectral range and the absorption edge in the near ultra-violet region got blue-shifted with cation substitution. The estimated optical energy gaps confirmed the band gap widening with increase in Ca-dopant concentration. The calculated values increased from 3.30 eV for undoped ZnO to 3.73 eV for \(\hbox {Zn}_{0.8}\hbox {Ca}_{0.2}\hbox {O}\) thin films giving 13.03% enhancement in the energy gap value due to the electronic perturbation caused by cation substitution as well as deterioration in crystallinity.     

Microwave dielectrics: solid solution,ordering and microwave dielectric properties of $$(1{-}x)\hbox {Ba}(\hbox {Mg}_{1/3}\hbox {Nb}_{2/3})\hbox {O}_{3}{-}x\hbox {Ba(Mg}_{1/8}\hbox {Nb}_{3/4})\hbox {O}_{3}$$ ceramics

The effect of Ba(\(\hbox {Mg}_{1/8}\hbox {Nb}_{3/4})\hbox {O}_{3}\) phase on structure and dielectric properties of \(\hbox {Ba(Mg}_{1/3}\hbox {Nb}_{2/3})\hbox {O}_{3}\) was studied by synthesizing \((1{-}x)\hbox {Ba(Mg}_{1/3}\hbox {Nb}_{2/3})\hbox {O}_{3}{-}x\hbox {Ba}(\hbox {Mg}_{1/8}\hbox {Nb}_{3/4})\hbox {O}_{3}\) (\(x = 0\), 0.005, 0.01 and 0.02) ceramics. Superlattice reflections due to 1:2 ordering appear as low as \(1000^{\circ }\hbox {C}\). \(\hbox {Ba}(\hbox {Mg}_{1/3}\hbox {Nb}_{2/3})\hbox {O}_{3}\) forms solid solution with \(\hbox {Ba}(\hbox {Mg}_{1/8}\hbox {Nb}_{3/4})\hbox {O}_{3}\) for all ‘x’ values studied until \(1350^{\circ }\hbox {C}\). Ordering was confirmed by powder X-ray diffraction pattern, Raman study and HRTEM. Ceramic pucks can be sintered to density \({>}92\%\) of theoretical density. Temperature and frequency-stable dielectric constant and nearly zero dielectric loss (tan \(\delta \)) were observed at low frequencies (20 MHz). The sintered samples exhibit dielectric constant (\(\varepsilon _{\mathrm{r}})\) between 30 and 32, high quality factor between 37000 and 74000 GHz and temperature coefficient of resonant frequency (\(\tau _{\mathrm{f}})\) between 21 and \(24\hbox { ppm }^{\circ }\hbox {C}^{-1}\).     

Photoacoustic Spectroscopic Study of Optical Properties of $$\hbox {Cu}_{2}\hbox {GeTe}_{3}$$ in Temperature Range from 80 K to 300 K

We used photoacoustic spectroscopy to investigate the optical properties of \(\hbox {Cu}_{2}\hbox {GeTe}_{3}\). The temperature dependence of the bandgap energy was evaluated from optical absorption spectra obtained in the photon energy range of 0.76 eV to 0.81 eV between 80 K and 300 K. We used the empirical and semi-empirical models of Varshni, Viña, and Pässler to describe the observed bandgap shrinkage in this compound. The Debye temperature and effective phonon temperature of the compound were estimated to be approximately 227.4 K and 151.6 K, respectively. Thus, the temperature dependence of the bandgap is mediated by acoustic phonons.     

Synthesis and luminescence in sol–gel auto-combustion-synthesized $$\hbox {CaSnO}_{3}{:}\hbox {Eu}^{3+}$$ phosphor

Undoped and Eu-doped \(\hbox {CaSnO}_{3}\) nanopowders were prepared by a facile sol–gel auto-combustion method calcined at \(800{^{\circ }}\hbox {C}\) for 1 h. The samples are found to be well-crystallized pure orthorhombic \(\hbox {CaSnO}_{3}\) structure. Photoluminescence (PL) measurements indicated that the undoped sample exhibits a broad blue emission at about 420–440 nm, which can be recognized from an intrinsic centre or centres in \(\hbox {CaSnO}_{3}\). Eu-doped \(\hbox {CaSnO}_{3}\) showed broad blue emission centred about 434 nm, a weak peak at 465 nm and a sharp intense yellow emission line at 592 nm. The emission situated at 592 nm was assigned to the f–f transition of \(^{5}\hbox {D}_{0}\rightarrow ^{7}\hbox {F}_{1}\) in \(\hbox {Eu}^{3+}\) ions. The afterglow emission and PL decay results in Eu-doped \(\hbox {CaSnO}_{3}\) phosphor, which revealed that there are at least two different traps in this phosphor. From the obtained results, \(\hbox {Eu}^{3+}\)-doped \(\hbox {CaSnO}_{3}\) phosphor could be proposed as a potential white luminescent optical material.     

Emission of Gas and $$\hbox {Al}_{2}\hbox {O}_{3}$$ Smoke in Gas–Al Particle Deflagration: Experiments and Emission Modeling for Explosive Fireballs

Emission of gas and \(\hbox {Al}_{2}\hbox {O}_{3}\) smoke within the deflagration of \(\hbox {H}_{2}{-}\hbox {O}_{2}\)–{\(\hbox {N}_{2}{-}\hbox {CO}_{2}\)}–Al particles has been studied in a closed combustion chamber at pressures of up to 18 bar and at gas temperatures of up to 3700 K. Measurements of radiance intensity were taken using a five wavelength pyrometer (0.660 \(\upmu \hbox {m}\), 0.850 \(\upmu \hbox {m}\), 1.083 \(\upmu \hbox {m}\), 1.260 \(\upmu \hbox {m}\), 1.481 \(\upmu \hbox {m}\)) and a grating spectrometer in the range (4.10 \(\upmu \hbox {m}\) to 4.30 \(\upmu \hbox {m}\)). In order to characterize the aluminum oxide smoke size and temperature, an inversion method has been developed based on the radiation transfer equation and using pyrometer measurements and thermochemical calculations of \(\hbox {Al}_{2}\hbox {O}_{3}\) smoke volume fractions. Temperatures in combustion gas have been determined using a method based on the assumed blackbody head of the 4.26 \(\upmu \hbox {m}\) \(\hbox {CO}_{2}\) emission line and on its spectral shift with pressure and temperature. For validation purpose, this method has been applied to measurements obtained when calibrated alumina particles are injected in a combustion chamber prior to gaseous deflagrations. This mathematical inversion method was developed to investigate explosive fireballs.     

Structural stability and magnetic properties of $$\hbox {Cu}_{m}\hbox {Co}_{n}\hbox {NO}$$ ($$m+n = 2$$m+n=2–7) clusters

A theoretical study of NO adsorption on \(\hbox {Cu}_{m}\hbox {Co}_{n}\) (2 \(\le m+n \le \) 7) clusters was carried out using a density functional method. Generally, NO is absorbed at the top site via the N atom, except in \(\hbox {Cu}_{3}\hbox {NO}\) and \(\hbox {Cu}_{5}\hbox {NO}\) clusters, where NO is located at the bridge site. \(\hbox {Co}_{2}\hbox {NO}\), \(\hbox {Co}_{3}\hbox {NO}\), \(\hbox {Cu}_{2}\hbox {Co}_{2}\hbox {NO}\), \(\hbox {Co}_{5}\hbox {NO}\), \(\hbox {Cu}_{2}\hbox {Co}_{4}\hbox {NO}\) and \(\hbox {Cu}_{6}\hbox {CoNO}\) clusters have larger adsorption energies, indicating that NO of these clusters are more easily adsorbed. After adsorption, N–O bond is weakened and the activity is enhanced as a result of vibration frequency of N–O bond getting lower than that of a single NO molecule. \(\hbox {Cu}_{2}\hbox {CoNO}\), \(\hbox {Cu}_{3}\hbox {CoNO}\), \(\hbox {Cu}_{2}\hbox {Co}_{2}\hbox {NO}\), \(\hbox {Cu}_{3}\hbox {Co}_{3}\hbox {NO}\) and \(\hbox {Cu}\hbox {Co}_{5}\hbox {NO}\) clusters are more stable than their neighbours, while CuCoNO, \(\hbox {Co}_{3}\hbox {NO}\), \(\hbox {Cu}_{3}\hbox {CoNO}\), \(\hbox {Cu}_{2}\hbox {Co}_{3}\hbox {NO}\), \(\hbox {Cu}_{3}\hbox {Co}_{3}\hbox {NO}\) and \(\hbox {Cu}_{6}\)CoNO clusters display stronger chemical stability. Magnetic and electronic properties are also discussed. The magnetic moment is affected by charge transfer and the spd hybridization.     

Measurement of Out-of-Plane Thermal Conductivity of Epitaxial $$\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-{\delta }}$$ Thin Films in the Temperature Range from 10 K to 300 K by Photothermal Reflectance

We measured the out-of-plane (c-axis) thermal conductivity of epitaxially grown \(\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-{\delta }}\) (YBCO) thin films (250 nm, 500 nm and 1000 nm) in the temperature range from 10 K to 300 K using the photothermal reflectance technique. The technique enables us to determine the thermal conductivity perpendicular to a thin film on a substrate by curve fitting analysis of the phase lag between the thermoreflectance signal and modulated heating laser beam in the frequency range from \(10^{2}\,\hbox {Hz}\) to \(10^{6}\,\hbox {Hz}\). The uncertainties of measured thermal conductivity of all samples were estimated to be within \({\pm }9\,\%\) at 300 K, \({\pm }12\,\%\) at 180 K, \({\pm }16\,\%\) at 90 K and \({\pm }20\,\%\) below 50 K. The experimental results show that the thermal conductivity is dependent on the thickness of the thin films across the entire temperature range. We also observed that the thermal conductivity of the present YBCO thin films showed \(T^{1.4}\) to \(T^{1.6}\) glass-like dependence below 50 K, even though the films are crystalline solids. In order to explain the reason for this temperature dependence, we attempted to analyze our results using phonon relaxation times for possible phonon scattering models, including stacking faults, grain boundary and tunneling states scattering models.