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《Mendeleev Communications》2022,32(2):234-237
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. 相似文献
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Dr. Swati Deswal Rishukumar Panday Dr. Dipti R. Naphade Prashant Dixit Dr. Balu Praveenkumar Dr. Jan K. Zaręba Prof. Dr. Thomas D. Anthopoulos Prof. Dr. Satishchandra Ogale Prof. Dr. Ramamoorthy Boomishankar 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(33):e202200751
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. 相似文献
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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. 相似文献
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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. 相似文献
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In this article, we have developed an overlapping Schwarz method for a weakly coupled system of convection-diffusion equations. The method splits the original domain into two overlapping subdomains. A hybrid difference scheme is proposed in which on the boundary layer region, we use the central finite difference scheme on a uniform mesh, whereas on the nonlayer region, we use the mid-point difference scheme on a uniform mesh. It is shown that the numerical approximations converge in the maximum norm to the exact solution. We have proved that, when appropriate subdomains are used, the method produces almost second-order convergence. Furthermore, it is shown that two iterations are sufficient to achieve the expected accuracy. Numerical examples are presented to support the theoretical results. The main advantage of this method used with the proposed scheme is that it reduces iteration counts very much and easily identifies in which iteration the Schwarz iterate terminates. 相似文献
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随着我国技术经济水平的提高,电子商务产业快速发展,货运动车组应运而生。采用有限体积方法和重叠网格方法,以及SST k-ω高雷诺数湍流模型,数值模拟研究时速350 km的货运动车组在隧道内交会的压力波,探究货运动车组车体结构即装载门凹陷对隧道内交会压力波的影响。实车试验结果验证了本文数值模拟方法的准确性。研究结果表明,凹陷的装载门使平直车身处的最大正压值增大约20%~30%,且有无凹陷的装载门中心最大正压值的差异百分比维持在35%~80%,最大负压值差异百分比在20%~25%。 相似文献
10.
Cheng-Cheng Tsai Zhi-Yao Tsai Ming-Yu Tseng Wei-Ping Hu 《International journal of quantum chemistry》2020,120(14):e26238
We have developed a new database of structures and bond energies of 59 noble-gas-containing molecules. The structures were calculated by CCSD(T)/aug-cc-pVTZ methods and the bond energies were obtained using the CCSD(T)/complete basis set method. Many wavefunction-based and density functional theory methods have been benchmarked against the 59 accurate bond energies. Our results show that the MPW1B95, B2GP-PLYP, and DSD-BLYP functionals with the aug-cc-pVTZ basis set excel in predicting the bond energies of noble-gas molecules with mean unsigned errors (MUEs) of 2.0 to 2.1 kcal/mol. When combinations of Dunning's basis sets are used, the MPW1B95, B2GP-PLYP, DSD-BLYP, and BMK functionals give significantly lower MUEs of 1.6 to 1.9 kcal/mol. Doubly hybrid methods using B2GP-PLYP and DSD-BLYP functionals and MP2 calculation also provide satisfactory accuracy with MUEs of 1.4 to 1.5 kcal/mol. If the Ng bond energies and the total atomization energies of a group of 109 main-group molecules are considered at the same time, the MPW1B95/aug-cc-pVTZ single-level method (MUE = 2.7 kcal/mol) and the B2GP-PLYP and DSD-PLYP functionals with combinations of basis sets or using the doubly hybrid method (MUEs = 1.9-2.2 kcal/mol) give the overall best result. 相似文献