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1.
In this paper we discuss the data structure and algorithms for the direct application of generalized Leibnitz rules to the numerical computation of partial derivatives in forward mode. The proposed data structure provides constant time access to the partial derivatives, which accelerates the automatic differentiation computations. The interaction among elements of the data structure is explained by several numerical examples. The paper contains analysis of the developed data structure and algorithms. Copyright © 2003 John Wiley & Sons, Ltd.  相似文献   
2.
Observations are reported on isotactic polypropylene (i) in a series of tensile tests with a constant strain rate on specimens annealed for 24 h at various temperatures in the range from 110 to 150 °C, (ii) in two series of creep tests in the subyield region of deformations on samples not subjected to thermal treatment and on specimens annealed at 140 °C, and (iii) in a series of tensile relaxation tests on non-annealed specimens. Constitutive equations are derived for the elastoplastic and non-linear viscoelastic responses of semicrystalline polymers. A polymer is treated as an equivalent transient network of macro-molecules bridged by junctions (physical cross-links, entanglements and lamellar blocks). The network is assumed to be highly heterogeneous, and it is thought of as an ensemble of meso-regions with different activation energies for separation of strands from temporary nodes. The elastoplastic behavior is modelled as sliding of junctions in meso-domains with respect to their reference positions driven by macro-deformation. The viscoelastic response is attributed to detachment of active strands from temporary junctions and attachment of dangling chains to the network. Constitutive equations for isothermal deformations with small strains are derived by using the laws of thermodynamics. Adjustable parameters in the stress–strain relations are found by fitting the experimental data.  相似文献   
3.
Elemental depth profiles of PZT films prepared by two sol–gel formulations, differing in the zirconium precursor stabilization, were investigated by SIMS analysis. Early decomposition of the zirconium precursor yielded opposing gradients of zirconium and titanium, while simultaneous late decomposition of zirconium and titanium precursors provided profile uniformity. The gradients formed during initial crystallization are irreversible. Both types of films showed excellent hysteresis; however, uniform films exhibited a much higher dielectric constant, indicating superior piezoelectric properties. Non-uniform films displayed a complex CV pattern, consistent with an inhomogeneous structure. Finally, thermal decomposition of the individual metal precursors is crucial for controlling film uniformity.  相似文献   
4.
DNA family shuffling was used to create chimeric lipase B proteins with improved activity toward the hydrolysis of diethyl 3-(3',4'-dichlorophenyl)glutarate (DDG). Three homologous lipases from Candida antarctica ATCC 32657, Hyphozyma sp. CBS 648.91 and Crytococcus tsukubaensis ATCC 24555 were cloned and shuffled to generate a diverse gene library. A high-throughput screening assay was developed and used successfully to identify chimeric lipase B proteins having a 20-fold higher activity toward DDG than lipase B from C.antarctica ATCC 32657 and a 13-fold higher activity than the most active parent derived from C.tsukubaensis ATCC 24555. In addition, the stability characteristics of several highly active chimeric proteins were also improved as a result of family shuffling. For example, the half-life at 45 degrees C and melting point (T(m)) of one chimera exceeded those of lipase B from C.antarctica ATCC 32657 by 11-fold and 6.4 degrees C, respectively, which closely approached the stability characteristics of the most thermostable parent derived from Hyphozyma sp. CBS 648.91.  相似文献   
5.

This work addresses the reduction of NOx by H2 under O2-rich conditions using Al2O3/SiO2-supported Pt catalysts with different loads of WOx promotor. The samples were thoroughly characterised by N2 physisorption, temperature-programmed desorption of CO, scanning electron microscopy, X-ray diffraction, laser raman spectroscopy, X-ray photoelectron spectroscopy and diffuse reflectance infrared fourier transform spectroscopy with probe molecule CO. The catalytic studies of the samples without WOx showed pronounced NOx conversion below 200 °C, whereas highest efficiency was related to small Pt particles. The introduction of WOx provided increasing deNOx activity as well as N2 selectivity. This promoting effect was referred to an additional reaction path at the Pt-WOx/Al2O3/SiO2 interface, whereas an electronic activation of Pt by strong metal support interaction was excluded.

Graphic Abstract
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6.
This study focuses on hydrological and biotic variables in Lake Glubokoe, which is located in Thala Hills of Enderby Land (East Antarctica). Water and sediment samples and physical measurements were collected once a week in the austral summer (19 December 2010 – 6 February 2011). This lake exhibits perennial ice cover that reached a thickness of 2.5–2.7 m during the study period. A very low concentration of planktonic chlorophyll‐a (0.06–0.45 μg L?1) was measured in the lake, indicating its ultra‐oligotrophic status. The water was poorly populated by algae and metazoans, especially in upper waters below ice cover to a depth of 2 m. Small planktonic organisms (2–5 μm) were observed throughout the study period, but larger organisms (>8 μm) such as the cyanobacteria Planktolyngbya limnetica occurred only during the warmest period (January). Only few individuals of metazoans (rotifers) were found in planktonic samples. Due to deep light penetration (10–15% of incoming active solar radiation reached the depth of 30 m), thick cyanobacterial mats (30 cm) cover all the bottom surface (grey silts) in the lake. Abundant benthic biota associated with these mats was found (up to 1000 ind. m?2). Among the benthic metazoans, bdelloid rotifers and tardigrades were the dominating taxa. The results of this study suggest a typical ecological feature of most subglacial lakes in East Antarctica is that metazoans are very poor in the pelagic zone, preferring instead to occupy an area near the lake bottom because of a favourable constant temperature of 4 °C, good level of dissolved oxygen and available food resources as the bacterial detritus.  相似文献   
7.
8.
Organizing DNA origami building blocks into higher order structures is essential for fabrication of large structurally and functionally diverse devices and molecular machines. Unfortunately, the yields of origami building block attachment reactions are typically not sufficient to allow programed assembly of DNA devices made from more than a few origami building blocks. To investigate possible reasons for these low yields, a detailed single‐molecule fluorescence study of the dynamics of rectangular origami dimerization and origami dimer dissociation reactions is conducted. Reactions kinetics and yields are investigated at different origami and ion concentrations, for different ion types, for different lengths of bridging strands, and for the “sticky end” and “weaving welding” attachment techniques. Dimerization yields are never higher than 86%, which is typical for such systems. Analysis of the dynamic data shows that the low yield cannot be explained by thermodynamic instability or structural imperfections of the origami constructs. Atomic force microscopy and gel electrophoresis evidence reveal self‐dimerization of the origami monomers, likely via blunt‐end interactions made possible by the presence of bridging strands. It is suggested that this mechanism is the major factor that inhibits correct dimerization and means to overcome it are discussed.  相似文献   
9.
Consistent segmentation of 3D models   总被引:2,自引:0,他引:2  
This paper proposes a method to segment a set of models consistently. The method simultaneously segments models and creates correspondences between segments. First, a graph is constructed whose nodes represent the faces of every mesh, and whose edges connect adjacent faces within a mesh and corresponding faces in different meshes. Second, a consistent segmentation is created by clustering this graph, allowing for outlier segments that are not present in every mesh. The method is demonstrated for several classes of objects and used for two applications: symmetric segmentation and segmentation transfer.  相似文献   
10.
Techniques for fabricating nanomechanical diamond systems and their use in modern micro- and nanoelectronics are reviewed. The primary focus is the experimental techniques for controlling the quantum state of nitrogen-vacancy centers in diamond by mechanical actions. Optimization of the working characteristics of diamond resonators is discussed.  相似文献   
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