The potential energy profile of the reaction between dimethyl disulfide and OH? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10?10?cm3?molecule?1?s?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH3S?(OH)SCH3 decomposing rapidly to yield CH3S?+CH3SOH. 相似文献
This article presents an adaptive neural compensation scheme for a class of large-scale time delay nonlinear systems in the presence of unknown dead zone, external disturbances, and actuator faults. In this article, the quadratic Lyapunov–Krasovskii functionals are introduced to tackle the system delays. The unknown functions of the system are estimated by using radial basis function neural networks. Furthermore, a disturbance observer is developed to approximate the external disturbances. The proposed adaptive neural compensation control method is constructed by utilizing a backstepping technique. The boundedness of all the closed-loop signals is guaranteed via Lyapunov analysis and the tracking errors are proved to converge to a small neighborhood of the origin. Simulation results are provided to illustrate the effectiveness of the proposed control approach. 相似文献
Well-ordered and surface engineered hierarchical hydroxyapatite microspheres (HAM) were prepared via a template free hydrothermal process. Ethylene diamine tetra (methylene phosphonic acid) (EDTMP) was used as chelating or regulating agent for the first time in this study. The results indicated the formation of sheet-like particles in the absence of EDTMP. On the other hand, microspheres with radially grown nanorods (HAMNR) or nanosheets (HAMNS) on the surface were obtained (with average diameter of 5?µm) in the presence of EDTMP. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy were used to characterize the crystalline phases in the synthesized samples. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) showed that EDTMP concentration played an important part in regulating the morphology to form well organized microspheres with nanosheets or nanorods on the surface. Brunauer-Emmett-Teller (BET) revealed an increase in the specific surface area with the change in morphology from the HAMNS to HAMNR. Possible mechanisms are proposed to account for the formation of different morphologies based upon thermodynamic and kinetic theories. 相似文献
Essential work of fracture methodology was used to determine plane-stress ductile fracture toughness of high impact polystyrene film of thickness 0.26 mm. Results obtained indicated that specific essential work of fracture, we, is independent of loading rate, and for certain specimen sizes, independent of both gauge length and width of the specimen. On the other hand, we was found to be affected by the temperature, molecular anisotropy and the geometry of the test specimens. Reasonable estimate of we was obtained via crack opening displacement value. 相似文献
For characterization of the fracture resistance of materials used in the upper shelf toughness regime,J-R curves are widely considered the most promising candidates. However, there still remain problems concerning both the generation and measurement ofJ-R curves as material characterizing parameters and their application in ductile fracture analyses for failure prediction in polymeric materials. This paper reports the results of investigations conducted on two rubbertoughened nylons at room temperature. Two different methods ofJ-R curve determination are covered, namely multi-specimen and single specimen test methods. The resultingJ-R curves have also been evaluated to obtain values of the initiation toughness,JIC, following the extrapolation and interpolation schemes prescribed by ASTM E813-81 and ASTM E813-87 test procedures, respectively. The results show that the multiple specimen unloading method and the single specimen partial unloading compliance method can be used to generate comparable crack growth resistanceJ-R curves of the toughened nylons. The value ofJIC for the crystalline rubber-toughened nylon was approximately twice the value obtained for the amorphous rubber-toughened nylon. The former material also exhibited a greater resistance to ductile crack growth. 相似文献
A technology for increasing both the two-terminal gate-drain breakdown and subsequently the three-terminal-off-state breakdown of AlInAs/GaInAs high-electron-mobility transistors (HEMTs) to record values without substantial impact on other parameters is presented. The breakdown in these structures is dependent on the multiplication of electrons injected from the source (channel current) and the gate (gate leakage) into the channel. In addition, holes are generated by high fields at the drain and are injected back into the gate and source electrodes. These phenomena can be suppressed by increasing the gate barrier height and alleviating the fields at the drain. Both have been achieved by incorporating a p+-2DEG junction as the gate that modulates the 2DEG gas and by utilizing selective regrowth of the source and drain regions by MOCVD. The 1-μm-gate-length devices fabricated have two-terminal gate-drain and three-terminal-off-state breakdown voltages of 31 V and 28 V, respectively 相似文献
Vicious codes, especially viruses, as a kind of impressive malware have caused many disasters and continue to exploit more vulnerabilities. These codes are injected inside benign programs in order to abuse their hosts and ease their propagation. The offsets of injected virus codes are unknown and their targets usually are latent until they are executed and activated, what in turn makes viruses very hard to detect. In this paper enriched control flow graph miner, ECFGM in short, is presented to detect infected files corrupted by unknown viruses. ECFGM uses enriched control flow graph model to represent the benign and vicious codes. This model has more information than traditional control flow graph (CFG) by utilizing statistical information of dependent assembly instructions and API calls. To the best of our knowledge, the presented approach in this paper, for the first time, can recognize the offset of infected code of unknown viruses in the victim files. The main contributions of this paper are two folds: first, the presented model is able to detect unknown vicious code using ECFG model with reasonable complexity and desirable accuracy. Second, our approach is resistant against metamorphic viruses which utilize dead code insertion, variable renaming and instruction reordering methods. 相似文献
Engineering with Computers - In the paper, we derive a geometric meshless method for coupled nonlinear sine-Gordon (CNSG) equations. Approximate solutions of the CNSG equations are supposed to be... 相似文献
Over the last decade, application of soft computing techniques has rapidly grown up in different scientific fields, especially in rock mechanics. One of these cases relates to indirect assessment of uniaxial compressive strength (UCS) of rock samples with different artificial intelligent-based methods. In fact, the main advantage of such systems is to readily remove some difficulties arising in direct assessment of UCS, such as time-consuming and costly UCS test procedure. This study puts an effort to propose four accurate and practical predictive models of UCS using artificial neural network (ANN), hybrid ANN with imperialism competitive algorithm (ICA–ANN), hybrid ANN with artificial bee colony (ABC–ANN) and genetic programming (GP) approaches. To reach the aim of the current study, an experimental database containing a total of 71 data sets was set up by performing a number of laboratory tests on the rock samples collected from a tunnel site in Malaysia. To construct the desired predictive models of UCS based on training and test patterns, a combination of several rock characteristics with the most influence on UCS has been used as input parameters, i.e. porosity (n), Schmidt hammer rebound number (R), p-wave velocity (Vp) and point load strength index (Is(50)). To evaluate and compare the prediction precision of the developed models, a series of statistical indices, such as root mean squared error (RMSE), determination coefficient (R2) and variance account for (VAF) are utilized. Based on the simulation results and the measured indices, it was observed that the proposed GP model with the training and test RMSE values 0.0726 and 0.0691, respectively, gives better performance as compared to the other proposed models with values of (0.0740 and 0.0885), (0.0785 and 0.0742), and (0.0746 and 0.0771) for ANN, ICA–ANN and ABC–ANN, respectively. Moreover, a parametric analysis is accomplished on the proposed GP model to further verify its generalization capability. Hence, this GP-based model can be considered as a new applicable equation to accurately estimate the uniaxial compressive strength of granite block samples.