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41.
We discuss the efficiency of parallelization on graphical processing units (GPUs) for the simulation of the one-dimensional Potts model with long-range interactions via parallel tempering. We investigate the behavior of some thermodynamic properties, such as equilibrium energy and magnetization, critical temperatures as well as the separation between the first- and second-order regimes. By implementing multispin coding techniques and an efficient parallelization of the interaction energy computation among threads, the GPU-accelerated approach reached speedup factors of up to 37.  相似文献   
42.
We propose an efficient approach for interactive visualization of massive models with CPU ray tracing. A voxel‐based hierarchical level‐of‐detail (LOD) framework is employed to minimize rendering time and required system memory. In a pre‐processing phase, a compressed out‐of‐core data structure is constructed, which contains the original primitives of the model and the LOD voxels, organized into a kd‐tree. During rendering, data is loaded asynchronously to ensure a smooth inspection of the model regardless of the available I/O bandwidth. With our technique, we are able to explore data sets consisting of hundreds of millions of triangles in real‐time on a desktop PC with a quad‐core CPU.  相似文献   
43.
Film archives are continuously in need of automatic restoration tools to accelerate the correction of film artifacts and to decrease the costs. Blotches are a common type of film degradation and their correction needs a lot of manual interaction in traditional systems due to high false detection rates and the huge amount of data of high resolution images. Blotch detectors need reliable motion estimation to avoid the false detection of uncorrupted regions. In case of erroneous detection, usually an operator has to remove the false alarms manually, which significantly decreases the efficiency of the restoration process. To reduce manual intervention, we developed a two-step false alarm reduction technique including pixel- and object-based methods as post-processing. The proposed pixel-based algorithm compensates motion, decreasing false alarms at low computational cost, while the following object based method further reduces the residual false alarms by machine learning techniques. We introduced a new quality metric for detection methods by measuring the required amount of manual work after the automatic detection. In our novel evaluation technique, the ground truth is collected from digitized archive sequences where defective pixel positions are detected in an interactive process.  相似文献   
44.
In the present paper a distance concept of databases is investigated. Two database instances are of distance 0, if they have the same number of attributes and satisfy exactly the same set of functional dependencies. This naturally leads to the poset of closures as a model of changing database. The distance of two databases (closures) is defined to be the distance of the two closures in the Hasse diagram of that poset. We determine the diameter of the poset and show that the distance of two closures is equal to the natural lower bound, that is to the size of the symmetric difference of the collections of closed sets. We also investigate the diameter of the set of databases with a given system of keys. Sharp upper bounds are given in the case when the minimal keys are 2 (or r)-element sets.  相似文献   
45.
AMI molecular orbital calculations with full geometry optimisation of 4/6, 5/5 and 4/5/6 isomers of E20 (E=Si, Ge) show a clear preference of germanium to be accommodated in four membered rings and to achieve coordination numbers greater than 3 (V A). as a consequence, unlike C20 or Si20, the dodecahedral form of Ge20 was not localised on the potential surface, instead an opened structure derived from an octagermaprismane (IV B) can be predicted. Notable kinetic stabilisation in the (SiR)20 systems is suggested by the HOMO-LUMO differences.  相似文献   
46.
Hydroxyapatite (HAp) was successfully produced by using recycled eggshell. The observed phases of the synthesised materials were dependent on the mechanochemical activation method (ball milling and attrition milling). The structures of the HAp were characterized by X-ray diffraction, scanning electron microscopy and infrared spectroscopy. Attrition milling proved to be more efficient than ball milling, as resulted nanosize, homogenous HAp even after milling.  相似文献   
47.
To understand the photochemical behaviour of the polydopamine polymer in detail, one would also need to know the behaviour of its building blocks. The electronic absorption, as well as the fluorescence emission and excitation spectra of the dopamine were experimentally and theoretically investigated considering time-resolved fluorescence spectroscopy and first-principles quantum theory methods. The shape of the experimental absorption spectra obtained for different dopamine species with standard, zwitterionic, protonated, and deprotonated geometries was interpreted by considering the advanced equation-of-motion coupled-cluster theory of DLPNO-STEOM. Dynamical properties such as fluorescence lifetimes or quantum yield were also experimentally investigated and compared with theoretically predicted transition rates based on Fermi’s Golden Rule-like equation. The results show that the photochemical behaviour of dopamine is strongly dependent on the concentration of dopamine, whereas in the case of a high concentration, the zwitterionic form significantly affects the shape of the spectrum. On the other hand, the solvent pH is also a determining factor for the absorption, but especially for the fluorescence spectrum, where at lower pH (5.5), the protonated and, at higher pH (8.0), the deprotonated forms influence the shape of the spectra. Quantum yield measurements showed that, besides the radiative deactivation mechanism characterized by a relatively small QY value, non-radiative deactivation channels are very important in the relaxation process of the electronic excited states of different dopamine species.  相似文献   
48.
Hajdu  Andr&#;s  Terdik  Gy&#;rgy  Tiba  Attila  Tom&#;n  Henrietta 《Machine Learning》2022,111(4):1551-1595
Machine Learning - Ensemble-based methods are highly popular approaches that increase the accuracy of a decision by aggregating the opinions of individual voters. The common point is to maximize...  相似文献   
49.
Our goal is the determination of the material flow processes around the mixing screws and introducing a new mixing index which can characterize the perform  相似文献   
50.
Water management is of critical importance in a proton exchange membrane (PEM) fuel cell, in particular, those based on a sulfonic acid polymer, which requires water to conduct protons. Yet there are limited in situ studies of water transfer through the membrane and no data are available for water transfer due to individual mechanisms through the membrane in an operational fuel cell. Thus it is the objective of this study to measure water transfer through the membrane due to each individual mechanism in an operational PEM fuel cell. The three different mechanisms of water transfer, i.e., electro-osmotic drag, diffusion and hydraulic permeation are isolated by specially imposed boundary conditions. Therefore water transfer through the membrane due to each mechanism is measured separately. In this study, all the data is collected in an actual assembled operational fuel cell. The experimental results show that water transfer due to hydraulic permeation, i.e. the pressure difference between the anode and cathode is at least an order of magnitude lower than those due to the other two mechanisms. The data for water transfer due to diffusion through the membrane are in good agreement with some of the ex situ data in the literature. The data for electro-osmosis show that the number of water molecules dragged per proton increases not only with temperature but also with current density, which is different from existing data in the literature. The methodology used in this study is simple and can be easily adopted for in situ water transfer measurement due to different mechanisms in other PEM fuel cells without any cell modifications.  相似文献   
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