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41.
Samantha Jenkins 《International journal of quantum chemistry》2013,113(11):1603-1608
The need to make more quantitative use of the total electronic charge density distribution is demonstrated in this short perspective. This is framed in the perspective of the ground breaking early work of Bader and coworkers, along with mathematicians who captured the essential nature of a molecule in a suitably compact form in real space. We see that this simple form is the Poincaré–Hopf relation for molecules and clusters and the Euler–Hopf relation in solids. Thom's theory of elementary catastrophes combined with the Poincaré–Hopf relation provides the inspiration for the new quantum topology. An alternative use of the Poincaré–Hopf relation, molecular recognition, is discussed. Quantum topology is then used to create a topology phase diagram for both molecules and solids. The author adds their perspectives of the huge potential of the quantum topology approach by demonstrating the ease with which new theoretical ideas can be generated. © 2013 Wiley Periodicals, Inc. 相似文献
42.
采用格子玻尔兹曼方法对有三种恒温热源(圆形、三角形、方形)参与的圆管内纳米流体(铜-水)自然对流进行数值研究。主要研究瑞利(Ra)数,纳米颗粒体积分数以及热源几何形状等控制参数对纳米流体的流动与传热的影响。结果发现纳米颗粒体积分数的增加有利于强化传热,且在Ra数较小时,平均努塞尔(Nu)数增加的幅度要优于Ra数较大的情况。在所研究的控制参数范围内,方形热源的平均Nu数最大。根据数值结果给出不同热源表面的平均Nu数、纳米颗粒体积分数、Ra数三者之间的函数关系式,该函数关系可为此类工程的设计提供理论指导。 相似文献
43.
44.
Abdelkader Krifa 《Journal of Difference Equations and Applications》2019,25(1):84-96
In this paper, we prove the possibility of optimization of some free parameters of Meixner-like discrete-time linear filters using orthonormal basis functions (OBF) in an analytical way. Since the z-transform of the Meixner filters is impossible and it is possible for Meixner-like filters, we are motivated to study closely the optimization of the Meixner-like's pole. As a result, the differential equation associated with Meixner-like filters has been developed. On the other hand, the effective width of the energy distribution in the transformation domain is a function of the free parameter (Meixner-like pole) and simple signal measurements and can be calculated by the second-order moment. Analytic minimization of the second-order moment gives an optimal value of the free parameter. To validate the effectiveness of the proposed approach, numerical results are used to determine the free parameters. 相似文献
45.
Jing Wu Ying Qu Kun Shi Bingyang Chu Yanpeng Jia Xue Xiao Qianjun He Zhiyong Qian 《中国化学快报》2018,29(12):1819-1823
The CPT was loaded into the HMSNs with the high loading capacity. Then the CPT@HMSNs were loaded into the PLEL thermosensitive hydrogels for local therapy to prevent the recurrence of breast cancer after the tumor was resected. 相似文献
46.
Abstract The viscosity dependence of the isomerization process with comparatively low potential barrier was studied as a model of one-dimensional barrier crossing. We found that the ground-state isomerization of DODCI fails to fit the Kramers equation. We analyzed this non-Kramers behavior by means of an approach of frequency dependent friction. 相似文献
47.
The Goursat formula for the hypergeometric function extends the Euler–Gauss relation to the case of logarithmic singularities. 相似文献
48.
In this paper, we introduce the concept of topological hypergroups as a generalization of topological groups. A topological hypergroup is a nonempty set endowed with two structures, that of a topological space and that of a hypergroup. Let (H, ○) be a hypergroup and (H, τ) be a topological space such that the mappings (x, y) → x ○ y and (x, y) → x/y from H × H to 𝒫*(H) are continuous. The main tool to obtain basic properties of hypergroups is the fundamental relation β*. So, by considering the quotient topology induced by the fundamental relation on a hypergroup (H, ○) we show that if every open subset of H is a complete part, then the fundamental group of H is a topological group. It is important to mention that in this paper the topological hypergroups are different from topological hypergroups which was initiated by Dunkl and Jewett. 相似文献
49.
Multiaxial mechanical behavior of aramid fibers and identification of skin/core structure from single fiber transverse compression testing 下载免费PDF全文
Judith Wollbrett‐Blitz Sébastien Joannès Rémi Bruant Christophe Le Clerc Marc Romero De La Osa Anthony Bunsell Alba Marcellan 《Journal of Polymer Science.Polymer Physics》2016,54(3):374-384
The transverse and longitudinal mechanical properties of aramid fibers like Kevlar? 29 (K29) fibers are strongly linked to their highly oriented structure. Mechanical characterization at the single fiber scale is challenging especially when the diameter is as small as 15 µm. Longitudinal tensile tests on single K29 fibers and single fiber transverse compression test (SFTCT) have been developed. Our approach consists of coupling morphological observations and mechanical experiments with SFTCT analysis by comparing analytical solutions and finite element modeling. New insights on the analysis of the transverse direction response are highlighted. Systematic loading/unloading compression tests enable to experimentally determine a transverse elastic limit. Taking account of the strong anisotropy of the fiber, the transverse mechanical response sheds light on a skin/core architecture. More importantly, results suggest that the skin of the fiber, typically representing a shell of one micrometer in thickness, has a transverse apparent modulus of 0.2 GPa. That is around more than fifteen times lower than the transverse modulus of 3.0 GPa in the core. By comparison, the measured longitudinal modulus is about 84 GPa. The stress distribution in the fiber is explored and the critical areas for damage initiation are discussed. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 374–384 相似文献
50.
Structural and morphological studies on the deformation behavior of polypropylene/multi‐walled carbon nanotubes nanocomposites prepared through ultrasound‐assisted melt extrusion process 下载免费PDF全文
José M. Mata‐Padilla Carlos A. Ávila‐Orta Francisco J. Medellín‐Rodríguez Ernesto Hernández‐Hernández Rosa M. Jiménez‐Barrera Víctor J. Crúz‐Delgado Janett Valdéz‐Garza Silvia G. Solís‐Rosales Adriana Torres‐Martínez Myriam Lozano‐Estrada Enrique Díaz‐Barriga Castro 《Journal of Polymer Science.Polymer Physics》2015,53(7):475-491
Structural and morphological behavior under stress–strain of polypropylene/multi‐walled carbon nanotubes (PP/MWCNTs) nanocomposites prepared through ultrasound‐assisted melt extrusion process was studied by means of optical microscopy, scanning electron microscopy, transmission electron microscopy, Raman spectroscopy, small angle X‐ray scattering (SAXS), and wide angle X‐ray scattering (WAXS). A high ductile behavior was observed in the PP/MWCNT nanocomposites with low concentration of MWCNTs. This was related to an energy‐dissipating mechanism, achieved by the formation of an ordered PP‐CNTs interphase zone and crystal oriented structure in the undeformed samples. Different strain‐induced‐phase transformations were observed by ex situ SAXS/WAXS, characterizing the different stages of structure development during the deformation of PP and PP/MWCNTs nanocomposites. The high concentration of CNTs reduced the strain behavior of PP due to the agglomeration of nanoparticles. A structural pathway relating the deformation‐induced phase transitions and the dissipation energy mechanism in the PP/MWCNTs nanocomposites at low concentration of nanoparticles was proposed. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 475–491 相似文献