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1.
This article deals with the various heat source responses in a transversely isotropic hollow cylinder under the purview of three-phase-lag (TPL) generalized thermoelasticity theory. In presence of magnetic field and due to the rotating behavior of the cylinder, the governing equations are redefined for generalized thermoelasticity with thermal time delay. In order to obtain the stress, displacement and temperature field, the field functions are expressed in terms of modified Bessel functions in Laplace transformed domain. When the outer radius of hollow cylinder tends to infinity, the corresponding results are discussed. Finally an appropriate Laplace transform inversion technique is adopted.  相似文献   
2.
Herein, we show that acyclic amides that have recently enabled a series of elusive transition‐metal‐catalyzed N?C activation/cross‐coupling reactions are highly twisted around the N?C(O) axis by a new destabilization mechanism of the amide bond. A unique effect of the N‐glutarimide substituent, leading to uniformly high twist (ca. 90°) irrespective of the steric effect at the carbon side of the amide bond has been found. This represents the first example of a twisted amide that does not bear significant steric hindrance at the α‐carbon atom. The 15N NMR data show linear correlations between electron density at nitrogen and amide bond twist. This study strongly supports the concept of amide bond ground‐state twist as a blueprint for activation of amides toward N?C bond cleavage. The new mechanism offers considerable opportunities for organic synthesis and biological processes involving non‐planar amide bonds.  相似文献   
3.
曾赛  杜选民  范威 《应用声学》2020,39(3):482-491
水下对转螺旋桨流致辐射噪声的预报对于水下目标的特征提取和分类识别具有重要意义。由桨叶的旋转引起的湍流场是水下对转螺旋桨流致辐射噪声的源场。分述了水下对转螺旋桨湍流边界层脉动、旋转干涉效应和空化效应引发的水动力噪声机制和研究进展,比较了目前工程应用中的3种对转螺旋桨流致辐射噪声预报方法的特点。在分析对转螺旋桨流致辐射噪声数值预报难点的基础上,综述了对转螺旋桨流致辐射噪声计算方法的研究进展,指出间接数值模拟方法是工程中进行对转螺旋桨流致辐射噪声预报的有效方法。  相似文献   
4.
We find conditions for the boundedness of integral operators K commuting with dilations and rotations in a local generalized Morrey space. We also show that under the same conditions, these operators preserve the subspace of such Morrey space, known as vanishing Morrey space. We also give necessary conditions for the boundedness when the kernel is non-negative. In the case of classical Morrey spaces, the obtained sufficient and necessary conditions coincide with each other. In the one-dimensional case, we also obtain similar results for global Morrey spaces. In the case of radial kernels, we also obtain stronger estimates of Kf via spherical means of f. We demonstrate the efficiency of the obtained conditions for a variety of examples such as weighted Hardy operators, weighted Hilbert operator, their multidimensional versions, and others.  相似文献   
5.
The structure and rotational barrier for the mesityl-silicon bond of 2,2-dimesityl-1,1,1,3,3,3-hexamethyltrisilane have been investigated by 1H- and 13C-variable temperature nuclear magnetic resonance (NMR) as well as by density functional theory structural calculations. The calculations show that the lowest energy structure has C2 symmetry with nonequivalent ortho methyl groups, consistent with the crystal structure and solution NMR. The nonequivalent ortho methyl groups exchange through a Cs transition state with a calculated relative free energy of 11.0 kcal mol−1. The barrier for this rotation found by dynamic NMR is 13.4 ± 0.2 kcal mol−1 at 298 K.  相似文献   
6.
The current craze for research around the spin crossover phenomenon can be justified to some extent by the mechanical properties due to the decrease of volume associated with the transition of the metal ion from the HS state to the LS state. As demonstrated here, the molecular complex [Fe(PM-pBrA)2(NCS)2] exhibits, on the contrary, an increase of the unit-cell volume from HS to LS. This counter-intuitive and unprecedented behavior that concerns both the thermal and the photoexcited spin conversions is revealed by a combination of single-crystal and powder X-ray diffraction complemented by magnetic measurements. Interestingly, this abnormal volume change appears concomitant with the wide rotation of a phenyl ring which induces a drastic modification, though reversible, of the structural packing within the crystal. In addition, the light-induced HS state obtained through the Light-Induced Excited Spin-State Trapping shows a remarkably high relaxation temperature, namely T(LIESST), of 109 K, one of the highest so far reported. The above set of quite unusual characteristics opens up new fields of possibilities within the development of spin crossover materials.  相似文献   
7.
The gas‐phase structures and parameters describing acetyl methyl torsion of N‐ethylacetamide are determined with high accuracy, using a combination of molecular beam Fourier‐transform microwave spectroscopy and quantum chemical calculations. Conformational studies at the MP2 level of theory yield four minima on the energy surface. The most energetically favorable conformer, which possesses C1 symmetry, is assigned. Due to the torsional barrier of 73.4782(1) cm?1 of the acetyl methyl group, fine splitting up to 4.9 GHz is found in the spectrum. The conformational structure is not only confirmed by the rotational constants, but also by the orientation of the internal rotor. The 14N quadrupole hyperfine splittings are analyzed and the deduced coupling constants are compared with the calculated values.  相似文献   
8.
边红涛 《化学教育》2021,42(2):90-93
在大学本科一二年级的物理化学教学中,化学动力学章节的学习涉及到对不同时间尺度的认识。本文利用过渡态理论得到的速率常数表达公式,以乙烷分子碳/碳单键旋转和水分子氢键交换的动力学过程为例,对这2个应用实例的动力学过程所发生的时间尺度做出估算。这些时间尺度的估算对于学生理解不同动力学过程的物理图像至关重要,同时也有助于加强学生对重要公式的理解并能够将这些公式在化学体系中灵活运用。  相似文献   
9.
An accurate potential energy surface of sulfur dioxide, SO2, in its ground electronic state has been determined from ab initio calculations using the coupled‐cluster approach in conjunction with the correlation‐consistent basis sets up to septuple‐zeta quality. The results obtained with the conventional and explicitly correlated coupled‐cluster methods are compared. The role of the core–electron correlation, higher‐order valence–electron correlation, scalar relativistic, and adiabatic effects in determining the structure and dynamics of the SO2 molecule is discussed. The vibration‐rotation energy levels of the 32SO2 and 34SO2 isotopologues were predicted using a variational approach. It was shown that the inclusion of the aforementioned effects was mandatory to attain the “spectroscopic” accuracy. © 2017 Wiley Periodicals, Inc.  相似文献   
10.
The quasistatic stability of a rotating drillstring under longitudinal force and torque is analyzed. Constitutive equations are derived, and a technique to solve them is proposed. It is shown that the buckling mode of the drillstring is helical within a section subjected to compressive forces __________ Translated from Prikladnaya Mekhanika, Vol. 42, No. 6, pp. 101–109, June 2006.  相似文献   
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