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71.
In this paper, we proposed the method for improving the accuracy of BEM, which is based on application of bicubic splines for interpolation functions. Application of bicubic splines ensures continuity of class C1 at the boundaries of element. Such an interpolation results in smooth approximation of the surface sources leading to high accuracy of computation. Set of integral equations is solved by implementation of Galerkin method for determination of unknown coefficients.The accuracy of the proposed approach is illustrated by comparison of the solution of electric field in thin-plate capacitor by BEM using bicubic splines, second-order polynomial, linear and piecewise-constant interpolation. 相似文献
72.
Although experimental observations determine the martensite structure of NiTi as monoclinic (B19′), ab-initio calculations show that, after a full optimization of the lattice, the ideal martensite structure relaxes into orthorhombic B33 one. This paper presents a first principles investigation of the structure of (100) compound twins in martensite. The results obtained by means of two different computational codes show that the optimized structure of twin cells is very close to that of B19′ martensite. This indicates that twinning can significantly contribute to mechanisms stabilizing the B19′ structure in real martensite samples. 相似文献
73.
The problem of unsteady compressible fluid flow in an enclosure induced by thermoacoustic waves is studied numerically. Full compressible set of Navier–Stokes equations are considered and numerically solved by boundary-domain integral equations approach coupled with wavelet compression and domain decomposition to achieve numerical efficiency. The thermal energy equation is written in its most general form including the Rayleigh and reversible expansion rate terms. Both, the classical Fourier heat flux model and wave heat conduction model are investigated.The velocity–vorticity formulation of the governing Navier–Stokes equations is employed, while the pressure field is evaluated from the corresponding pressure Poisson equation. Material properties are taken to be for the perfect gas, and assumed to be pressure and temperature dependent. 相似文献
74.
You Zhou Yu-ichi Yoshizawa Kiyoshi Hirao Zoltán Lenčéš Pavol Šajgalík 《Journal of the European Ceramic Society》2011,31(1-2):151-157
LaSi3N5:Eu2+ phosphor powders were prepared by a highly efficient combustion synthesis method. It was found that the compositions of the raw powder mixtures had great influences on the phase compositions and particle morphologies of the synthesized powders. By selecting appropriate starting compositions and combustion parameters, single phase LaSi3N5:Eu2+ phosphors could be synthesized. When excited by a UV light, the LaSi3N5:Eu2+ phosphors emitted green light. The wavelength and intensity of the emission spectra were affected by the amount of Eu2+ dopant. With increasing amount of Eu2+ dopant, concentration quenching could occur and emission spectra shifted to longer wavelengths. 相似文献
75.
76.
Mohammad Javad Nasr Isfahani Marjaneh Jafari Fesharaki Vladimir Šepelák 《Ceramics International》2013,39(2):1163-1167
The bulk NiFe2?xBixO4 ferrites with various Bi3+ concentration (x=0, 0.1, 0.15) were synthesized via sol–gel procedure, starting from nickel, bismuth and iron nitrate powders, followed by the conventional thermal treatment. The structural and magnetic properties of the as-prepared ferrites were studied by means of X-ray diffraction, alternating gradient force magnetometry and Faraday balance. The anisotropy constant was determined by the law of approach to saturation (LAS) model. An increasing Bi3+ concentration in NiFe2?xBixO4 leads to a decrease in the saturation magnetization, Néel temperature and the anisotropy constant of the material. 相似文献
77.
James A. Kimber Sergei G. Kazarian František Štěpánek 《Chemical engineering science》2012,69(1):394-403
This work presents a novel use of the Discrete Element Method (DEM) combined with inter-particle mass transfer in order to simulate polymer swelling and dissolution. Each particle can absorb water and swell, pushing on its neighbours and causing an overall expansion. Once the disentanglement threshold is reached, the polymer dissolves and the particle reduces in size. This paper applies DEM to simulate the radial swelling and dissolution of cylindrical tablets. The method was validated against exact numerical solution of the same system to assess the accuracy of the DEM simulations for different DEM particle sizes. Parametric studies were done to assess the impact of physical parameters – namely the concentration-dependent diffusion coefficient of water through the polymer, the dissolution rate constant of the polymer and the disentanglement threshold of the polymer – on the radial expansion of the tablet. It was found that different settings of the concentration-dependent water diffusion coefficient function could produce similar radial expansion curves but with different internal concentration profiles. Increasing the dissolution rate constant or decreasing the disentanglement threshold of the polymer caused a reduction in the maximum radius of tablet. Lastly, ATR-FTIR spectroscopic imaging was used to obtain chemical images of a pure hydroxy-propyl methylcellulose (HPMC) tablet swelling and dissolving. The model was optimised to match both the HPMC tablet radius and the concentration profiles over time. 相似文献
78.
Robert Hrastar Ling‐Zhi Cheong Xuebing Xu Charlotte Jacobsen Nina Skall Nielsen Rasmus Leth Miller Iztok Jože Košir 《European Journal of Lipid Science and Technology》2011,113(4):513-521
Camelina sativa oil (CO) is characterized by a high content (up to 40 wt %) of essential α‐linolenic acid and characteristic odour and flavour. Deodorization of highly unsaturated oils requires great attention as the refining process involves thermal treatment which affects oil integrity. In the present study RSM and principal component analysis (PCA) were used to optimize bench‐scale deodorization of CO. Mathematical models were generated through multiple regressions with backward elimination, describing the effects of process parameters (temperature, steam flow, time) on oil quality indicators [peroxide value (PV), p‐anisidine value (p‐AV), γ‐tocopherol (γ‐T) and oxidative stability (OS)]. Additionally, sensory evaluation was performed. RSM analysis showed a significant effect of deodorization temperature and to a lesser extent, deodorization steam flow and time on removal of oxidative compounds, flavour and odour. PCA of chemical and sensory results showed that deodorization temperature affected the sensory properties in the samples. The best conditions for removing undesirable flavour and odour were achieved by using a deodorization temperature of 195–210°C. 相似文献
79.
Dr. Veronika Papoušková Dr. Pavel Kadeřávek Olga Otrusinová Alžbeta Rabatinová Dr. Hana Šanderová Jiří Nováček Dr. Libor Krásný Prof. Vladimír Sklenář Dr. Lukáš Žídek 《Chembiochem : a European journal of chemical biology》2013,14(14):1772-1779
The partially disordered δ subunit of RNA polymerase was studied by various NMR techniques. The structure of the well‐folded N‐terminal domain was determined based on inter‐proton distances in NOESY spectra. The obtained structural model was compared to the previously determined structure of a truncated construct (lacking the C‐terminal domain). Only marginal differences were identified, thus indicating that the first structural model was not significantly compromised by the absence of the C‐terminal domain. Various 15N relaxation experiments were employed to describe the flexibility of both domains. The relaxation data revealed that the C‐terminal domain is more flexible, but its flexibility is not uniform. By using paramagnetic labels, transient contacts of the C‐terminal tail with the N‐terminal domain and with itself were identified. A propensity of the C‐terminal domain to form β‐type structures was obtained by chemical shift analysis. Comparison with the paramagnetic relaxation enhancement indicated a well‐balanced interplay of repulsive and attractive electrostatic interactions governing the conformational behavior of the C‐terminal domain. The results showed that the δ subunit consists of a well‐ordered N‐terminal domain and a flexible C‐terminal domain that exhibits a complex hierarchy of partial ordering. 相似文献
80.