Device characteristics for Pt–Ti–O gate Si–MISFETs hydrogen gas sensors

A novel Pt–Ti–O-gate Si–metal–insulator–semiconductor field-effect transistor (MISFET) hydrogen gas sensor has been proposed by Usagawa and Kikuchi (2010) [1]. The sensors consist of unique gate structures composed of Ti and oxygen accumulated regions around Pt grains on top of a novel mixing layer of nanocrystalline TiO_x and superheavily oxygen-doped amorphous Ti formed on SiO₂/Si substrates. The optimum Pt/Ti thickness and annealing conditions for most hydrogen safety monitoring sensor systems are obtained by annealing Pt(15 nm)/Ti(5 nm)-gate Si–MOS structures in air around 400 °C for 2 h. One of the advantages of the Pt–Ti–O-gate Si–MISFETs after 10 min of air-diluted 1000-ppm hydrogen exposure at 115 °C are reproducible and uniform threshold voltage of V_th in addition to large sensing amplitudes at a practically important hydrogen concentration range between 100 ppm and 1%. The analysis of device characteristics of the Pt–Ti–O-gate Si–MISFETs hydrogen sensors concludes that the oxidation process of the Ti layer is consistently explained by an oxidation model that the oxygen invasion into Ti layer comes from open air through Pt grain boundaries and at the same time Ti will evacuate into the Pt surface through Pt grain boundaries. During the course of this process, the invading oxygen will be balanced with the evacuating Ti so that the Ti layer keeps nearly the same thickness with the as grown states. Ti and oxygen will remains around Pt grains named Ti and oxygen merged corridors.     

Dielectric and piezoelectric properties of [0 0 1] and [0 1 1]-poled relaxor ferroelectric PZN–PT and PMN–PT single crystals

The properties of PZN–PT and PMN–PT single crystals of varying compositions and orientations have been investigated. Among the various compositions studied, [0 0 1]-optimally poled PZN-(6–7)%PT and PMN-30%PT exhibit superior dielectric and piezoelectric properties, with K^T ≈ 6800–8000, d₃₃ ≈ 2800 pC/N, d₃₁ ≈ −(1200–1800) pC/N for PZN-(6–7)%PT; and K^T = 7500–9000, d₃₃ = 2200–2500 pC/N and d₃₁ = −(1100–1400) pC/N for PMN-30%PT. These two compositions are also fairly resistant to over-poling. The [0 0 1]-poled electromechanical coupling factors (k₃₃, k₃₁ and k_t) are relatively insensitive to crystal composition. [0 1 1]-optimally poled PZN-7%PT single crystal also exhibits extremely high d₃₁ values of up to −4000 pC/N with k₃₁ ≈ 0.90–0.96. While [0 1 1]-poled PZN-7%PT single crystal becomes over-poled with much degraded properties when poled at and above 0.6 kV/mm, PZN-6%PT crystal shows no signs of over-poling even when poled to 2.0 kV/mm. The presence of a certain amount (i.e., 10–15%) of orthorhombic phase in a rhombohedral matrix has been found to be responsible for the superior transverse piezoelectric properties of [0 1 1]-optimally poled PZN-(6–7)%PT. The present work shows that flux-grown PZN–PT crystals exhibit superior and consistent properties and improved over-poling resistance to flux-grown PMN–PT crystals and that, for or a given crystal composition, flux-grown PMN–PT crystals exhibit superior over-poling resistance to their melt-grown counterparts.     

Spectral and chemical analysis of tropical forests: Scaling from leaf to canopy levels

Variation in the foliar chemistry of humid tropical forests is poorly understood, and airborne imaging spectroscopy could provide useful information at leaf and canopy scales. However, variation in canopy structure affects our ability to estimate foliar properties from airborne spectrometer data, yet these structural affects remain poorly quantified. Using leaf spectral (400–2500 nm) and chemical data collected from 162 Australian tropical forest species, along with partial least squares (PLS) analysis and canopy radiative transfer modeling, we determined the strength of the relationship between canopy reflectance and foliar properties under conditions of varying canopy structure.At the leaf level, chlorophylls, carotenoids and specific leaf area (SLA) were highly correlated with leaf spectral reflectance (r = 0.90–0.91). Foliar nutrients and water were also well represented by the leaf spectra (r = 0.79–0.85). When the leaf spectra were incorporated into the canopy radiative transfer simulations with an idealistic leaf area index (LAI) = 5.0, correlations between canopy reflectance spectra and leaf properties increased in strength by 4–18%. The effects of random LAI (= 3.0–6.5) variation on the retrieval of leaf properties remained minimal, particularly for pigments and SLA (r = 0.92–0.93). In contrast, correlations between leaf nitrogen (N) and canopy reflectance estimates decreased from r = 0.87 at constant LAI = 5 to r = 0.65 with randomly varying LAI = 3.0–6.5. Progressive increases in the structural variability among simulated tree crowns had relatively little effect on pigment, SLA and water predictions. However, N and phosphorus (P) were more sensitive to canopy structural variability. Our modeling results suggest that multiple leaf chemicals and SLA can be estimated from leaf and canopy reflectance spectroscopy, and that the high-LAI canopies found in tropical forests enhance the signal via multiple scattering. Finally, the two factors we found to most negatively impact leaf chemical predictions from canopy reflectance were variation in LAI and viewing geometry, which can be managed with new airborne technologies and analytical methods.     

Simulation of solid thermal explosion and liquid thermal explosion of dicumyl peroxide using calorimetric technique

Dicumyl peroxide (DCPO), is produced by cumene hydroperoxide (CHP) process, is utilized as an initiator for polymerization, a prevailing source of free radicals, a hardener, and a linking agent. DCPO has caused several thermal explosion and runaway reaction accidents in reaction and storage zone in Taiwan because of its unstable reactive property. Differential scanning calorimetry (DSC) was used to determine thermokinetic parameters including 700 J g^–1 of heat of decomposition (ΔH_d), 110 °C of exothermic onset temperature (T₀), 130 kJ mol^–1 of activation energy (E_a), etc., and to analyze the runaway behavior of DCPO in a reaction and storage zone. To evaluate thermal explosion of DCPO with storage equipment, solid thermal explosion (STE) and liquid thermal explosion (LTE) of thermal safety software (TSS) were applied to simulate storage tank under various environmental temperatures (T_e). T_e exceeding the T₀ of DCPO can be discovered as a liquid thermal explosion situation. DCPO was stored under room temperature without sunshine and was prohibited exceeding 67 °C of self-accelerating decomposition temperature (SADT) for a tank (radius = 1 m and height = 2 m). SADT of DCPO in a box (width, length and height = 1 m, respectively) was determined to be 60 °C. The TSS was employed to simulate the fundamental thermal explosion behavior in a large tank or a drum. Results from curve fitting demonstrated that, even at the earlier stage of the reaction in the experiments, ambient temperature could elicit exothermic reactions of DCPO. To curtail the extent of the risk, relevant hazard information is quite significant and must be provided in the manufacturing process.     

Evolution of structure,stability, and nonlinear optical properties of the heterodinuclear CNLin (n = 1–10) clusters

The lowest-energy structures and stabilities of the heterodinuclear clusters, CNLi_n (n = 1–10) and relevant CNLi_n⁺ (n = 1–10) cations, are studied using the density functional theory with the 6-311 + G(3df) basis set. The CNLi₆ and CNLi₅⁺ clusters are the first three-dimensional ones in the CNLi_n^0/+ series, respectively, and the CN group always caps the Li_n^0/+ moiety in the CNLi_n^0/+ (n = 1–9) configurations. The CN triple bond is found to be completely cleaved in the CNLi₁₀^0/+ clusters where the C and N atoms are bridged by two Li atoms. The CNLi_n (n = 2–10) clusters are hyperlithiated molecules with delocalized valence electrons and consequently possess low VIP values of 3.780–5.674 eV. Especially, the CNLi₈ and CNLi₁₀ molecules exhibit lower VIPs than that of Cs atom and can be regarded as heterobinuclear superalkali species. Furthermore, these two superalkali clusters show extraordinarily large first hyperpolarizabilities of 19,423 and 42,658 au, respectively. For the CNLi_n⁺ cationic species, the evolution of the energetic and electronic properties with the cluster size shows a special stability for CNLi₂⁺.     

Internet use and verbal aggression: The moderating role of parents and peers

This research investigated the influence of parent–adolescent communication quality, as perceived by the adolescents, on the relationship between adolescents’ Internet use and verbal aggression. Adolescents (N = 363, age range 10–16, M_T1 = 12.84, SD = 1.93) were examined twice with a six-month delay. Controlling for social support in general terms, moderated regression analyses showed that Internet-related communication quality with parents determined whether Internet use is associated with an increase or a decrease in adolescents’ verbal aggression scores over time. A three way interaction indicated that high Internet-related communication quality with peers can have disadvantageous effects if the communication quality with parents is low. Implications on resources and risk factors related to the effects of Internet use are discussed.     

The possibility of using C20 fullerene and graphene as semiconductor segments for detection,and destruction of cyanogen-chloride chemical agent

Detection of hazardous chemical species by changing the electrical conductivity of a semiconductor matter is a proposed and applied way for decreasing their subsequent unpleasant effects. Recently, many examples of using inorganic or organic materials, polymeric, and also nano-sized species as sensors were reported in which, in some cases, those matters were strongly affective and suitable.In this project, we have made an assessment on whether the graphene segment or C₂₀ fullerene, able to sense the existence of cyanogen chloride NCCl? In order to gain trustable results, the possible reaction pathways along with the adsorption kinetics were investigated. Moreover, the electronic density of states DOS showed that C₂₀ fullerene senses the existence of cyanogen chloride agent with a clearer signal (ΔE_g = 0.0110 eV) compared to the graphene segment (ΔE_g = 0.0001 eV). Also the adsorption energy calculations showed that cyanogen chloride could be adsorbed by the fullerene in a multi-step process (E_ads1 = −0.852 kcal mol⁻¹; E_ads2 = −0.446 kcal mol⁻¹; E_ads3 = −2.330 kcal mol⁻¹).     

A simple semi-analytical model for remote estimation of chlorophyll-a in turbid waters: Validation

Accurate assessment of phytoplankton chlorophyll-a (chla) concentrations in turbid waters by means of remote sensing is challenging due to the optical complexity of case 2 waters. We have applied a recently developed model of the form [R_rs^? 1(λ₁) ? R_rs^? 1(λ₂)] × R_rs(λ₃) where R_rs(λ_i) is the remote-sensing reflectance at the wavelength λ_i, for the estimation of chla concentrations in turbid waters. The objectives of this paper are (a) to validate the three-band model as well as its special case, the two-band model R_rs^? 1(λ₁) × R_rs(λ₃), using datasets collected over a considerable range of optical properties, trophic status, and geographical locations in turbid lakes, reservoirs, estuaries, and coastal waters, and (b) to evaluate the extent to which the three-band model could be applied to the Medium Resolution Imaging Spectrometer (MERIS) and two-band model could be applied to the Moderate Resolution Imaging Spectroradiometer (MODIS) to estimate chla in turbid waters.The three-band model was calibrated and validated using three MERIS spectral bands (660–670 nm, 703.75–713.75 nm, and 750?757.5 nm), and the 2-band model was tested using two MODIS spectral bands (λ₁ = 662–672, λ₃ = 743–753 nm). We assessed the accuracy of chla prediction in four independent datasets without re-parameterization (adjustment of the coefficients) after initial calibration elsewhere. Although the validation data set contained widely variable chla (1.2 to 236 mg m^? 3), Secchi disk depth (0.18 to 4.1 m), and turbidity (1.3 to 78 NTU), chla predicted by the three-band algorithm was strongly correlated with observed chla (r² > 0.96), with a precision of 32% and average bias across data sets of ? 4.9% to 11%. Chla predicted by the two-band algorithm was also closely correlated with observed chla (r² > 0.92); however, the precision declined to 57%, and average bias across the data sets was 18% to 50.3%. These findings imply that, provided that an atmospheric correction scheme for the red and NIR bands is available, the extensive database of MERIS and MODIS imagery could be used for quantitative monitoring of chla in turbid waters.     

Computational assessment of several hydrogen-free high energy compounds

Tetrazino-tetrazine-tetraoxide (TTTO) is an attractive high energy compound, but unfortunately, it is not yet experimentally synthesized so far. Isomerization of TTTO leads to its five isomers, bond-separation energies were empolyed to compare the global stability of six compounds, it is found that isomer 1 has the highest bond-separation energy (1204.6 kJ/mol), compared with TTTO (1151.2 kJ/mol); thermodynamic properties of six compounds were theoretically calculated, including standard formation enthalpies (solid and gaseous), standard fusion enthalpies, standard vaporation enthalpies, standard sublimation enthalpies, lattice energies and normal melting points, normal boiling points; their detonation performances were also computed, including detonation heat (Q, cal/g), detonation velocity (D, km/s), detonation pressure (P, GPa) and impact sensitivity (h₅₀, cm), compared with TTTO (Q = 1311.01 J/g, D = 9.228 km/s, P = 40.556 GPa, h₅₀ = 12.7 cm), isomer 5 exhibites better detonation performances (Q = 1523.74 J/g, D = 9.389 km/s, P = 41.329 GPa, h₅₀ =  28.4 cm).     

A DFT study on the physical adsorption of cyclophosphamide derivatives on the surface of fullerene C60 nanocage

The physical sorption of a series of cyclophosphamide drug derivatives with formula

where x = 2, X = F (2), Cl (3), Br (4); x = 3, X = F (5), Cl (6), Br (7) and x = 4, X = F (8), Cl (9), Br (10) on the surface of fullerene C₆₀ was studied using density functional theory (DFT) at B3LYP and B3PW91 levels. The most negative binding energies obtained using the B3LYP approach and corrected for geometrical BSSE and dispersion energies (gCP-D3-ΔE_binding) were measured for compounds 8 (among isolated drugs) and 13 (among complexes). The dipole moments of isolated drugs were obtained close to those of their complexes with C₆₀ (∼4.0–5.5 Debye) indicating their hydrophililic nature that is an appropriate property appealing for drug delivery in biological media. The adsorption of all drugs on the surface of fullerene was endergonic with all of the ΔG_adsorption > 0. The ΔH_adsorption values at B3PW91 level were only negative for complexes 14–16 indicating their exothermic adsorption nature. The HOMO–LUMO band gaps of complexes 11–19 were about 2.7 eV and are comparable with the gap in C₆₀ but are much smaller than the gaps in isolated drugs 2–10 (6.5–8.0 eV) reflecting the increase in electrical conductivities upon complexation. The QTAIM data supported the covalent character of the C–O, C–N and N–H bonds, the intermediate character of PO, P–O and P–N bonds while the electrostatic nature of PO…C(fullerene) interactions. According to the gCP-D3-ΔE_binding binding energies and ΔH_adsorption values at B3LYP level, it seems that the complexes 12 and 13 can be the most promising prodrug + carrier delivery systems.

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Bounds for the Roots of Lacunary Polynomials

A polynomial P(X)  = X^d + a_d − 1X^d − 1 + ⋯ is called lacunary when a_d − 1 =  0. We give bounds for the roots of such polynomials with complex coefficients. These bounds are much smaller than for general polynomials.     

Evaluation of three methodologies to estimate the VO2max in people of different ages

Aging and gender are factors that affect the variation of physical work capacity. The present paper highlights the importance of the metabolism used by ergonomics to establish the appropriate limits of loads at work. This study compares the aerobic capacity of people from 20 to 71 years old split in 5 different groups. The laboratory experiment tested 33 volunteers (19 women and 14 men). A submaximal step test was used to measure the VO₂ using a portable breath by breath metabolic system and a telemetric heart rate monitor. Three methods to estimate the VO_2max were compared: 1) a direct measurement of VO₂, 2) estimation by heart rate, and 3) a step test method using predetermined charts. Significant difference was encountered among the estimation methods as well as among the age ranges (F_2,92 = 6.43, p < 0.05 y F_4,92 = 7.18, p < 0.05 respectively). The method of direct measurement and the method of predetermined charts were different for the estimation of the VO_2max with a confidence level of 95%. The method of predetermined charts is better adapted for males and people younger than 30 years. The estimation through non invasive heart rate apparatus was a good appraiser of the maximal oxygen consumption considering both genders and all the age groups.     

Single-phase Ce3+–Mn2+–Tb3+ tri–codoped barium–yttrium–silicate phosphors

Ce³⁺–Mn²⁺–Tb³⁺ cooperative barium–yttrium-orthosilicate phosphors composed of Ba_{9-3m/2-n-3p/2}Ce_mMn_nTb_pY₂Si₆O₂₄ (m = 0.005–0.4, n = 0–0.5, p = 0–0.5) were prepared using a solid-state reaction. The X-ray diffraction patterns of the resultant phosphors were examined to index the peak positions. The photoluminescence (PL) excitation and emission spectra of the Ce³⁺–Mn²⁺–Tb³⁺ activated phosphors were clearly monitored. The dependence of the luminescent intensity of the Mn²⁺–Tb³⁺ co-doped Ba_9-3m/2Ce_mY₂Si₆O₂₄ host lattices on Ce³⁺ content (m = 0.025, 0.1) was also investigated. Co-doping Mn²⁺ into the Ce³⁺–Tb³⁺ co-doped host structure enabled energy transfer from Ce³⁺ to Mn²⁺; this energy transfer mechanism is discussed. The phosphors of Ce³⁺–Mn²⁺–Tb³⁺ doped Ba₉Y₂Si₆O₂₄ host lattice were prepared for efficient white-light emission under NUV excitation. With these phosphors, the desired CIE values including white region of the emission spectra were achieved.     

On reliability of the folded hypercubes

In this paper, we explore the 2-extra connectivity and 2-extra-edge-connectivity of the folded hypercube FQ_n. We show that κ₂(FQ_n) = 3n − 2 for n ⩾ 8; and λ₂(FQ_n) = 3n − 1 for n ⩾ 5. That is, for n ⩾ 8 (resp. n ⩾ 5), at least 3n − 2 vertices (resp. 3n − 1 edges) of FQ_n are removed to get a disconnected graph that contains no isolated vertices (resp. edges). When the folded hypercube is used to model the topological structure of a large-scale parallel processing system, these results can provide more accurate measurements for reliability and fault tolerance of the system.     

Critical pressure for capillary valves in a Lab-on-a-Disk: CFD and flow visualization

Capillary valves are used as pressure barriers to control flow sequencing in microfluidic devices. Influence of valves height on liquid flow pattern and critical pressure are studied through flow visualization and CFD predictions (Gambit® 2.2.30 and FLUENT® 6.2.16). Both hydrophilic and hydrophobic walls are studied. Results show that the surface tension plays a major role in the liquid progress through the microchannel/valve and also in the valve filling process. Critical pressure varies linearly with the valve hydraulic diameter in the range 0.91 < D_h < 3.5 [mm] according to: P = 14.14 · D_h + 47.42 [Pa].     

Assessment of grape yield and composition using the reflectance based Water Index in Mediterranean rainfed vineyards

In rainfed vineyards water deficits play a major role in determining berry yield and composition. Therefore, reliable indicators of vine water status might be of great value for the optimization of grape yield and quality. In the present study the feasibility of using hyperspectral reflectance indices related to plant biophysical properties at predicting berry yield and quality attributes in rainfed vineyards is assessed. The study was conducted on Vitis vinifera cv. Chardonnay in commercial vineyards in the D.O. Penedès region (Catalonia, Spain) over two consecutive years (2007–2008). Field measurements of fractional intercepted Photosynthetic Active Radiation (fIPAR), canopy reflectance, predawn water potential (Ψ_p) and the canopy to air temperature difference at midday (ΔT_midday) were conducted at the stage of veraison. Yield, Total Soluble Solids (TSS), Titratable Acidity (TA) and the ratio TSS/TA (maturation index, IMAD) were determined at harvest. Contrasted water availability among vineyards prompted considerable variation in berry yield and quality attributes. Across years, higher yield was accompanied by higher TA (r = 0.59, p < 0.01) and lower IMAD (r = ? 0.63, p < 0.01) while no significant relationship was observed between yield and TSS. Yield was related to canopy vigor (fIPAR) in a variable extend: in 2007, yield was positively related to fIPAR (r = 0.71, p < 0.05) while yield was found to decrease along with increasing fIPAR in 2008 (r = ? 0.62, p < 0.05). Contrastingly, NDVI provided consistent estimates of yield across years (r = 0.57, p < 0.05). These results suggest that NDVI might be more appropriate to characterize the effects of varying water availability on yield than fIPAR. In addition, yield was found to be related to ΔT_midday (r = ? 0.63 and r = ? 0.66, in 2007 and 2008, respectively). Accordingly, the Water Index (WI), an indicator of vine water status, provided robust estimates of yield across years (r = 0.61, p < 0.01). The strength of the correlation between NDVI and WI vs. yield suggests that yield was influenced by changes in both leaf area (intercepted light) and photosynthesis (stomatal aperture) in a variable extent according to the timing and severity of water deficits in the years of study. Berry quality attributes did not show significant relationships against fIPAR but were related to ΔT_midday. Accordingly, NDVI did not show significant correlation with berry quality attributes, while WI was found to be consistently related to TA (r = 0.70, p < 0.01) and IMAD (r = ? 0.71, p < 0.01) across years. The results obtained suggest that the WI might provide reliable estimates of berry quality attributes in vineyards experiencing moderate to severe water deficits with potential application in precision viticulture activities such as selective harvesting according to grape quality attributes as well as for ripening assessment.     

A study of nonlinear dispersive equations with solitary-wave solutions having compact support

With the use of Adomian decomposition method, the prototypical, genuinely nonlinear K(m,n) equation, u_t+(u^m)_x+(uⁿ)_xxx=0, which exhibits compactons — solitons with finite wavelength — is solved exactly. Two numerical illustrations, K(2,2) and K(3,3), are investigated to illustrate the pertinent features of the proposed scheme. The technique is presented in a general way so that it can be used in nonlinear dispersive equations.     

ANN based simulation and experimental verification of analytical four- and five-parameters models of PV modules

In this article, artificial neural network (ANN) is adopted to predict photovoltaic (PV) panel behaviors under realistic weather conditions. ANN results are compared with analytical four and five parameter models of PV module. The inputs of the models are the daily total irradiation, air temperature and module voltage, while the outputs are the current and power generated by the panel. Analytical models of PV modules, based on the manufacturer datasheet values, are simulated through Matlab/Simulink environment. Multilayer perceptron is used to predict the operating current and power of the PV module. The best network configuration to predict panel current had a 3–7–4–1 topology. So, this two hidden layer topology was selected as the best model for predicting panel current with similar conditions. Results obtained from the PV module simulation and the optimal ANN model has been validated experimentally. Results showed that ANN model provide a better prediction of the current and power of the PV module than the analytical models. The coefficient of determination (R²), mean square error (MSE) and the mean absolute percentage error (MAPE) values for the optimal ANN model were 0.971, 0.002 and 0.107, respectively. A comparative study among ANN and analytical models was also carried out. Among the analytical models, the five-parameter model, with MAPE = 0.112, MSE = 0.0026 and R² = 0.919, gave better prediction than the four-parameter model (with MAPE = 0.152, MSE = 0.0052 and R² = 0.905). Overall, the 3–7–4–1 ANN model outperformed four-parameter model, and was marginally better than the five-parameter model.