A Unified Mechanism on the Formation of Acenes,Helicenes, and Phenacenes in the Gas Phase

A unified low‐temperature reaction mechanism on the formation of acenes, phenacenes, and helicenes—polycyclic aromatic hydrocarbons (PAHs) that are distinct via the linear, zigzag, and ortho‐condensed arrangements of fused benzene rings—is revealed. This mechanism is mediated through a barrierless, vinylacetylene mediated gas‐phase chemistry utilizing tetracene, [4]phenacene, and [4]helicene as benchmarks contesting established ideas that molecular mass growth processes to PAHs transpire at elevated temperatures. This mechanism opens up an isomer‐selective route to aromatic structures involving submerged reaction barriers, resonantly stabilized free‐radical intermediates, and systematic ring annulation potentially yielding molecular wires along with racemic mixtures of helicenes in deep space. Connecting helicene templates to the Origins of Life ultimately changes our hypothesis on interstellar carbon chemistry.     

Gas-Phase Synthesis of Triphenylene (C18H12)

For the last decades, the hydrogen-abstraction−acetylene-addition (HACA) mechanism has been widely invoked to rationalize the high-temperature synthesis of PAHs as detected in carbonaceous meteorites (CM) and proposed to exist in the interstellar medium (ISM). By unravelling the chemistry of the 9-phenanthrenyl radical ([C₁₄H₉]^.) with vinylacetylene (C₄H₄), we present the first compelling evidence of a barrier-less pathway leading to a prototype tetracyclic PAH – triphenylene (C₁₈H₁₂) – via an unconventional hydrogen abstraction–vinylacetylene addition (HAVA) mechanism operational at temperatures as low as 10 K. The barrier-less, exoergic nature of the reaction reveals HAVA as a versatile reaction mechanism that may drive molecular mass growth processes to PAHs and even two-dimensional, graphene-type nanostructures in cold environments in deep space thus leading to a better understanding of the carbon chemistry in our universe through the untangling of elementary reactions on the most fundamental level.     

Modelling of the blanking process of high-carbon steel using Lemaitre damage model

This paper presents a methodology to model a blanking process using a continuum mechanical damage model. A variant of the Lemaitre model, in which the quasi-unilateral conditions are taken into consideration to modify the damage behavior under compressive stress states, is selected as material model. S45C high-carbon steel is analyzed experimentally. To characterize the damage behavior of the material, notched round bar tensile tests with three different notch radii (6 mm, 10 mm, and 20 mm) using image analysis are performed. Using digital image processing, the strain at the deformation zone can be computed for the load–strain curves. Those curves are used as an objective function to determine the parameters of the Lemaitre damage model. The experimental results are compared with the results of the FE analysis of the tensile test. The identified model parameters are used in numerical investigations of axisymmetric blanking. The effect of the model's extension to quasi-unilateral damage evolution is discussed. The crack progress in high-carbon steel sheet during blanking and the final sheared part morphology are predicted and compared with the experimental results. Sheared surface and burr height obtained by the analysis coincide with the results of the blanking experiment.     

Cabbibo Suppressed Semileptonic Decay D0→π－e+ve

The transition rate for the Cabibbo suppressed decay d0→π–e+ν e is calculated. This allows the extractions of the form factor |fπ +(0)| and the CKM matrix element |v cd| using the measured branching ratio.     

New Realization of N=2 Supersymmetric QuantumMechanics and Shape Invariance

The new supercharges are constructed and the weight function is defined to study the N=2 one-dimensional supersymmetric quantum mechanics. Several examples are discussed in the new realization.     

Aromaticity of Heterofullerenes C18BxNy (x+y=2) and Their Molecular Ions

The aromaticity of all possible substituted fullerene isomers of C18N2, C18B2, C18BN, and their molecularions which originate from the C20 (Ih) cage were studied by the topological resonance energy (TRE) and the percentage topological resonance energy methods. The relationship between the aromaticity of C18BxNy isomers and the sites where the heteroatoms dope at the C20 (Ih) cage is discussed. Calculation results show that at the neutral and cationic states all the isomers are predicted to be antiaromatic with negative TREs, but their polyvalent anions are predicted to be aromatic with positive TREs. The most stable isomer is formed by heteroatom doping at the 1,11-sites in C18N2, C18B2, and C18BN. Heterofullerenes are more aromatic than C20. The stability order in the neutral states is C18N2>C18BN>C18B2>C20. The stability order in closed-shell is C18B2 8->C20 6->C18BN6->C18N2 4-. This predicts theoretically that their polyvalent anions have high aromaticity.     

薁，苯并环丁二烯和戊搭烯的拓扑共振能

为了阐明芳香性及磁性原因，用Ａｉｈａｒａ提出的ＴＲＥ概念计算了　，苯并环丁二烯和戊搭烯等烃的共振能，环共振能和环电流．计算结果表明　因有正共振能具有芳香性并产生反磁性环电流，而苯并环丁二烯和戊塔烯因有负共振能具有反芳香性并产生顺磁性环电流．     

Transient thermal response of phase change material embedded with graphene nanoplatelets in an energy storage unit

This research was focused on the preparation of mixed metal oxide pigments doped with terbium ions with the general formula of Sn_0.752Co_0.08P_0.16Tb_0.008O₂. These pigments were synthesised by solid-state reactions at high calcination temperatures. The temperature range was chosen from 1350 to 1500 °C. The goal was to develop conditions for the synthesis of this type of pigments and to determine the influence of terbium ions on the colour properties of these compounds. All prepared pigments were applied into the organic matrix and into the ceramic glaze. Thermal behaviours of the reaction mixtures were investigated using differential thermal and thermogravimetric analysis. Synthesised Sn_0.752Co_0.08P_0.16Tb_0.008O₂ pigments were compared with concurrently prepared pigment Sn_0.760Co_0.08P_0.16O₂ depending on the calcination temperature with respect to the colour properties in CIE L*a*b* colour space, furthermore from the point of particle size distribution and phase composition. All compounds provided blue–violet hues that are stable in ceramic glazes.