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The torsional vibrations of star molecules are studied with a reduced dimensionality model. In this model, the molecule is described by two equivalent sets of lumped inertial cylinders and vibrational frequencies are predicted by solution of the coupled equations of motion. Force constants are determined by including them as free parameters in the model and fitting the computed frequencies to their analogs as determined using full normal coordinate analysis at the HFSCF level of theory. Best agreement between the methods occurs when torsional force constants are included for the first two layers of the molecule. This reveals that non-bonded torsional interactions are important in the vibrational dynamics of these systems. Further insight is afforded by an analysis of why simple harmonic oscillator models are sufficient for modeling some related systems but fail to reproduce the trend in global mode frequencies for saturated aliphatic star molecules. The analysis reveals that the origin of this failure lies in backbone flexibility in these branched polymeric systems. 相似文献
34.
Elham Doroodchi Thomas Michael Evans Behdad Moghtaderi 《Journal of nanoparticle research》2009,11(6):1501-1507
This article provides critical examinations of two mathematical models that have been developed in recent years to describe
the impact of nano-layering on the enhancement of the effective thermal conductivity of nanofluids. Discrepancy between the
two models is found to be an artefact of an incorrect derivation used in one of the models. With correct formulation, both
models predict effective thermal conductivity enhancements that are not significantly greater than those predicted by classical
Maxwell theory. This study indicates that nano-layering by itself is unable to account for the effective thermal conductivity
enhancements observed in nanofluids. 相似文献
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Nonlinear contrast imaging modes such as second harmonic imaging (HI) and subharmonic imaging (SHI) are increasingly important for clinical applications. However, the performance of currently available transducers for HI and SHI is significantly constrained by their limited bandwidth. To bypass this constraint, a novel transducer concept termed multi-frequency harmonic transducer arrays (MFHA's) has been designed and a preliminary evaluation has been conducted. The MFHA may ultimately be used for broadband contrast enhanced HI and SHI with high dynamic range and consists of three multi-element piezo-composite sub-arrays (A-C) constructed so the center frequencies are 4f(A) = 2f(B) = f(C) (specifically 2.5/5.0/10.0 MHz and 1.75/3.5/7.0 MHz). In principle this enables SHI by transmitting on sub-array C receiving on B and, similarly, from B to A as well as HI by transmitting on A receiving on B and, likewise, from B to C. Initially transmit and receive pressure levels of the arrays were measured with the elements of each sub-array wired in parallel. Following contrast administration, preliminary in vitro HI and SHI signal-to-noise ratios of up to 40 dB were obtained. In conclusion, initial design and in vitro characterization of two MFHA's have been performed. They have an overall broad frequency bandwidth of at least two octaves. Due to the special design of the array assembly, the SNR for HI and SHI was comparable to that of regular B-mode and better than commercially available HI systems. However, further research on multi-element MFHA's is required before their potential for in vivo nonlinear contrast imaging can be assessed. 相似文献
38.
Grzegorz Stepniak Lukasz Maksymiuk Jerzy Siuzdak 《Optical and Quantum Electronics》2007,39(15):1281-1288
Frequency response of passive optical network (PON) based on multimode fibers is investigated. The network comprises fibers,
connectors and splitters/couplers. It is shown that due to mode filtering at splitters, the frequency response is different
for different network nodes in otherwise symmetrical network. 相似文献
39.
The sooting behaviour of binary fuel mixtures was evaluated both experimentally and through computer simulations. The soot volume fraction in laminar diffusion flames of mixtures of ethylene/propane, methane/ethylene, methane/propane, methane/ethane, methane/butane, ethane/propane and ethane/ethylene fuels was measured using 2-dimensional line of sight attenuation. A synergistic effect was observed for the ethylene/propane, methane/ethylene, methane/ethane and ethane/ethylene mixtures. The synergistic effect translated into a higher soot concentration for a mixture fraction than could be yielded by the added contribution of both pure fuels. Such an effect was not observed for the methane/propane, methane/butane and ethane/propane mixtures. Through experiments in which the flame temperature was kept constant, it was determined that the synergistic effect in the methane/ethylene mixture is very temperature dependent whereas, that in the ethylene/propane mixture is not. This phenomenon was further studied through the modeling of the ethylene/propane mixture. Numerical simulations were carried out using two different soot models. The simulations confirmed the presence of a synergistic effect. It was found that the effect could be directly correlated to a synergistic effect in the concentration of n-C4H5 and n-C4H3, which could be traced back to an interaction between ethylene and methyl radical species. These results yield further insight into the pathways to soot formation and highlight the importance of further analyzing binary fuel mixtures as a means of understanding soot formation in practical devices using industrial fuels. 相似文献
40.
Modeling the effects of cohesive energy for single particle on the material removal in chemical mechanical polishing at atomic scale 总被引:1,自引:0,他引:1
This paper proposes a novel mathematical model for chemical mechanical polishing (CMP) based on interface solid physical and chemical theory in addition to energy equilibrium knowledge. And the effects of oxidation concentration and particle size on the material removal in CMP are investigated. It is shown that the mechanical energy and removal cohesive energy couple with the particle size, and being a cause of the non-linear size-removal rate relation. Furthermore, it also shows a nonlinear dependence of removal rate on removal cohesive energy. The model predictions are in good qualitative agreement with the published experimental data. The current study provides an important starting point for delineating the micro-removal mechanism in the CMP process at atomic scale. 相似文献