Synthesis and crystal structures of novel glycoluril carboxylic acids conglomerates

The two novel conglomerates were obtained by crystallization of racemic (2'S,3aS,6aR)/(2'R,3aR,6aS) (glycoluril-1-yl)-3-methylbutanoic acid and (2'R,3aR,6aR)/(2'S,3aS,6aS) (4,6-dimethylglycoluril-1-yl)pentanoic acid synthesized by highly diastereoselective condensation of 4,5-dihydroxy- imidazolidin-2-ones with racemic ureido acids. The differences in the molecular geometry of synthesized racemates were studied by X-ray diffraction that showed them to crystallize as conglomerates in non-centrosymmetric space groups Pna2₁ and P2₁2₁2₁, respectively     

An efficient edge based data structure for the compressible Reynolds-averaged Navier–Stokes equations on hybrid unstructured meshes

An efficient edge based data structure has been developed in order to implement an unstructured vertex based finite volume algorithm for the Reynolds-averaged Navier–Stokes equations on hybrid meshes. In the present approach, the data structure is tailored to meet the requirements of the vertex based algorithm by considering data access patterns and cache efficiency. The required data are packed and allocated in a way that they are close to each other in the physical memory. Therefore, the proposed data structure increases cache performance and improves computation time. As a result, the explicit flow solver indicates a significant speed up compared to other open-source solvers in terms of CPU time. A fully implicit version has also been implemented based on the PETSc library in order to improve the robustness of the algorithm. The resulting algebraic equations due to the compressible Navier–Stokes and the one equation Spalart–Allmaras turbulence equations are solved in a monolithic manner using the restricted additive Schwarz preconditioner combined with the FGMRES Krylov subspace algorithm. In order to further improve the computational accuracy, the multiscale metric based anisotropic mesh refinement library PyAMG is used for mesh adaptation. The numerical algorithm is validated for the classical benchmark problems such as the transonic turbulent flow around a supercritical RAE2822 airfoil and DLR-F6 wing-body-nacelle-pylon configuration. The efficiency of the data structure is demonstrated by achieving up to an order of magnitude speed up in CPU times.     

Hybrid cyclotriphosphazene–polysiloxane–nano-SiO2 composites with improved mechanical properties

Starting from the functional cyclotriphosphazene, polysiloxane and nano-SiO₂ precursors, three new hybrid nanocomposites with reinforced mechanical properties were prepared. Young’s modulus values for all the composite samples are similar in the range of 7–11 MPa, stress at fracture increases with the nano-SiO₂ content increase in the material and reaches a maximum value of 36 MPa for the composite with 20% nano-SiO₂. The nanocomposites investigated are elastic and demonstrate the ability to be deformed without failure up to 54% strain.     

Efficient Piezoelectric Energy Harvesting from a Discrete Hybrid Bismuth Bromide Ferroelectric Templated by Phosphonium Cation

Bismuth containing hybrid molecular ferroelectrics are receiving tremendous attention in recent years owing to their stable and non-toxic composition. However, these perovskite-like structures are primarily limited to ammonium cations. Herein, we report a new phosphonium based discrete perovskite-like hybrid ferroelectric with a formula [Me(Ph)₃P]₃[Bi₂Br₉] ( MTPBB ) and its mechanical energy harvesting capability. The Polarization-Electric field (P-E) measurements resulted in a well-defined ferroelectric hysteresis loop with a remnant polarization value of 2.1 μC cm⁻². Piezoresponse force microscopy experiments enabled visualization of the ferroelectric domain structure and evaluation of the piezoelectric strain coefficient (d₃₃) for an MTPBB single crystal and thin film sample. Furthermore, flexible devices incorporating MTPBB in polydimethylsiloxane (PDMS) matrix at various concentrations were fabricated and explored for their mechanical energy harvesting properties. The champion device with 20 wt % of MTPBB in PDMS rendered a maximum peak-to-peak open-circuit voltage of 22.9 V and a maximum power density of 7 μW cm⁻² at an optimal load of 4 MΩ. Moreover, the potential of MTPBB -based devices in low power electronics was demonstrated by storing the harvested energy in various electrolytic capacitors.     

“联用技术及元素形态”国际课程探索与实践*

充分利用线上教学的优势,对化学院本科生开设了“联用技术及元素形态”国际课程,避免了传统教学中组织、协调外籍/外地专家资源过程中必要的各种消耗,极大程度地整合教学资源、改善教学效果。在该课程的探索与实践过程中,学生们对痕量元素形态及基于等离子体质谱的各种联用技术产生了极大的兴趣,激发了他们的主动学习热情;教师之间及师生之间的沟通趋向更简单、更灵活、更实时,为后续线上线下混合式国际课程建设提供了良好的基础和借鉴。     

Effect of oxygen on regulation of properties of moderately boron-doped diamond films

Regulation of oxygen on properties of moderately boron-doped diamond films is fully investigated. Results show that, with adding a small amount of oxygen (oxygen-to-carbon ratio < 5.0%), the crystal quality of diamond is improved, and a suppression effect of residual nitrogen is observed. With increasing ratio of O/C from 2.5% to 20.0%, the hole concentration is firstly increased then reduced. This change of hole concentration is also explained. Moreover, the results of Hall effect measurement with temperatures from 300 K to 825 K show that, with adding a small amount of oxygen, boron and oxygen complex structures (especially B₃O and B₄O) are formed and exhibit as shallow donor in diamond, which results in increase of donor concentration. With further increase of ratio of O/C, the inhibitory behaviors of oxygen on boron leads to decrease of acceptor concentration (the optical emission spectroscopy has shown that it is decreased with ratio of O/C more than 10.0%). This work demonstrates that oxygen-doping induced increasement of the crystalline and surface quality could be restored by the co-doping with oxygen. The technique could achieve boron-doped diamond films with both high quality and acceptable hole concentration, which is applicable to electronic level of usage.     

Spectrum of Single-Photon Scattering in a Strong-Coupling Hybrid Optomechanical System

The single-photon excitation and transmission spectra of strong-coupling hybrid optomechanics are theoretically analyzed, where a two-level system (TLS) is coupled to a mechanical resonator (MR), generating Jaynes–Cummings-type polariton doublets. In this model, both the optomechanical coupling and the TLS-MR coupling are strong. In this parameter region, polaron-assisted excitation reemission processes can strongly affect the single-photon excitation and output spectra of the cavity. It is found that the fine structure around each sideband can be used to characterize the TLS-MR and the effective TLS-photon couplings, even at the single-quantum level. Thus, the spectrum structures may make it possible to sensitively probe the quantum nature of a macroscopic mechanical element. A possible approach for tomographic reconstruction of the state of a TLS, utilizing the single-photon transmission spectra, is further provided.     

Impact of anisotropic slip on the stagnation-point flow past a stretching/shrinking surface of the Al_2O_3-Cu/H_2O hybrid nanofluid

The characteristics of heat transfer in the three-dimensional stagnationpoint flow past a stretching/shrinking surface of the Al_2O_3-Cu/H_2O hybrid nanofluid with anisotropic slip are investigated. The partial differential equations are converted into a system of ordinary differential equations by valid similarity transformations. The simplified mathematical model is solved computationally by the bvp4c approach in the MATLAB operating system. This solving method is capable of generating more than one solutions when suitable initial guesses are proposed. The results are proven to have dual solutions, which consequently lead to the application of a stability analysis that verifies the achievability of the first solution. The findings reveal infinite values of the dual solutions at several measured parameters causing the non-appearance of the turning points and the critical values. The skin friction increases with the addition of nanoparticles, while the escalation of the anisotropic slip effect causes a reduction in the heat transfer rate.