Rotational predissociation of the Ar-H2 van der Waals molecule

A test has been made of various potentials for the Ar-H₂ van der Waals molecule by calculating linewidths and energies for rotational predissociated levels, using a body-fixed distortion approximation. A multiconfigurational self-consistent treatment, including correction for basis set superposition errors, was found to be adequate for a study of rotational predissociation of the Ar-H₂ complex.     

On the d.c. conductivity in semi-insulating GaAs

We investigate the temperature dependence of electrical conductivity of SI-GaAs. We have shown that the surface conductivity obeys the Berthelot type of dependence, the bulk component, on the other hand, fulfills the Arrhenius dependence.     

Double resonance spectroscopy of freon 12: Hot bands of CF235Cl2 and CF235Cl37Cl and the ν6 fundamental of CF237Cl2

Computer-assisted analysis of hundreds of double resonance signals from CF₂Cl₂ has yielded constants for the hot bands ν₆ + ν₄ − ν₄ of CF₂³⁵Cl₂ and CF₂³⁵Cl³⁷Cl and ν₆ + ν₅ − ν₅ of CF₂³⁵Cl₂. It has also produced the first experimental data over the ν₆ fundamental of CF₂³⁷Cl₂.     

Infrared diode laser spectroscopy of the ν3 band of the fluoromethyl radical,CH2F

The ν₃ (CF stretching) band of the CH₂F radical was observed with Doppler-limited resolution, by using infrared diode laser spectroscopy with Zeeman and discharge current modulation. The CH₂F radical was generated directly in a multiple reflection absorption cell by the electrical discharge in CH₂FCOOCH₃. The observed spectrum was analyzed to yield the band origin of 1170.4165(6) cm⁻¹ with one standard error in parentheses, in addition to the rotational constants, centrifugal distortion constants, and spin-rotation interaction constants in the v₃ = 1 state.     

Bimetal-organic frameworks derived Co/N-doped carbons for lithium-sulfur batteries

Lithium-sulfur (Li-S) batteries have received extensive attention due to their high theoretical specific energy density. However, the utilization of sulfur is seriously reduced by the shuttle effect of lithium polysulfides and the low conductivity of sulfur and lithium sulfide (Li₂S). Herein, we introduced bimetal-organic frameworks (Co/Zn-ZIF) derived cobalt and nitrogen-doped carbons (Co/N-C) into Li-S batteries through host design and separator modification. The Co/N-C in Li-S batteries effectively limits the shuttle effect through simultaneously serving as polysulfide traps and chemical catalyst. As a result, the Li-S batteries deliver a high reversible capacity of 1614.5 mAh/g and superior long-term cycling stability with a negligible capacity decay of only 0.04% per cycle after 1000 cycles. Furthermore, they have a high area capacity of 5.5 mAh/cm².     

Optimal allocation of simulation experiments in discrete stochastic optimization and approximative algorithms

Approximate solutions for discrete stochastic optimization problems are often obtained via simulation. It is reasonable to complement these solutions by confidence regions for the argmin-set. We address the question how a certain total number of random draws should be distributed among the set of alternatives. Two goals are considered: the minimization of the costs caused by using a statistical estimate of the true argmin, and the minimization of the expected size of the confidence sets. We show that an asymptotically optimal sampling strategy in the case of normal errors can be obtained by solving a convex optimization problem. To reduce the computational effort we propose a regularization that leads to a simple one-step allocation rule.     

Real and Pseudo Pedestrian Detection Method with CA-YOLOv5s Based on Stereo Image Fusion

With the development of convolutional neural networks, the effect of pedestrian detection has been greatly improved by deep learning models. However, the presence of pseudo pedestrians will lead to accuracy reduction in pedestrian detection. To solve the problem that the existing pedestrian detection algorithms cannot distinguish pseudo pedestrians from real pedestrians, a real and pseudo pedestrian detection method with CA-YOLOv5s based on stereo image fusion is proposed in this paper. Firstly, the two-view images of the pedestrian are captured by a binocular stereo camera. Then, a proposed CA-YOLOv5s pedestrian detection algorithm is used for the left-view and right-view images, respectively, to detect the respective pedestrian regions. Afterwards, the detected left-view and right-view pedestrian regions are matched to obtain the feature point set, and the 3D spatial coordinates of the feature point set are calculated with Zhengyou Zhang’s calibration method. Finally, the RANSAC plane-fitting algorithm is adopted to extract the 3D features of the feature point set, and the real and pseudo pedestrian detection is achieved by the trained SVM. The proposed real and pseudo pedestrian detection method with CA-YOLOv5s based on stereo image fusion effectively solves the pseudo pedestrian detection problem and efficiently improves the accuracy. Experimental results also show that for the dataset with real and pseudo pedestrians, the proposed method significantly outperforms other existing pedestrian detection algorithms in terms of accuracy and precision.     

Distinct electronic and transport properties between 1T-HfSe2 and 1T-PtSe2

In this study, we employed the first-principles calculation to investigate the structural, electronic and transport properties of 1T-HfSe₂ and 1T-PtSe₂ transition metal dichalcogenides, and further explain why they share the same 1T (octahedral) layered structure but exhibit very different electronic and transport properties. There are two underlying concepts: the degree of interlayer bond ionicity and the number of 5d valence electrons of transition metal. The high degree of Hf-Se bond ionicity not only gives rise to the indirect energy gap of HfSe₂ bulk and thin films, but also results in the weak Se-Se vdW interlayer coupling to further restrict the electron transport only within a HfSe₂ layer. On the other hand, the modulation of metallic/semiconducting property of PtSe₂ bulk and thin films can be understood by the significant vdW interlayer coupling, which induces charge redistribution of Se atom and allows electrons to transport within a PtSe₂ layer as well as cross neighboring layers. Finally, our transport calculation for 1T-HfSe₂/1T-PtSe₂ bulks and monolayers suggests the great electron transport within Hf-Se/Pt-Se layer but suppresses/allows electron from neighboring layers. The robust two-dimensional characteristic of 1T-HfSe₂ and the metal-to-semiconductor transition of 1T-PtSe₂ may provide more knowledge for future application in nanoelectronic and optoelectronic devices.     

Statistical analysis of spikes in bioburden

A spike in a set of bioburden data can be considered a bioburden number or numbers that are several times greater in value than the average value of the data set. A spike is not considered a manifestation of a quality issue, but a consistent component of product bioburden that should be taken into account in establishing the minimum acceptable dose in the radiation sterilization process. Rather than a subjective approach, statistical techniques were used to determine when a bioburden number or numbers represent spikes in a set of bioburden data. Bioburden data taken from a cross section of different products over a few months were analyzed. Results of the study identified spikes when the spike bioburden was approximately three or more times the average bioburden for the data set. In those cases where bioburden spikes were identified, use of the spike bioburden rather than the average bioburden increased the sterilization dose by up to 10%.