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101.
The effect of charge on the dihydrogen storage capacity of Sc2–C6H6 has been investigated at B3LYP-D3/6-311G(d,p) level. The neutral system Sc2–C6H6 can store 8H2 with gravimetric density of 8.76 wt %, and one H2 dissociates and bonds atomically on the scandium atom. The adsorption of 8H2 on Sc2–C6H6 is energetically favorable below 155 K. The atom-centered density matrix propagation (ADMP) molecular dynamics simulations show that Sc2–C6H6 can adsorb 3H2 within 1000 fs at 300K. Compared with Sc2–C6H6, the charged systems can adsorb more hydrogen molecules with higher gravimetric density, and all the H2 are adsorbed in the molecular form. The gravimetric densities of Sc2–C6H6+ and Sc2–C6H62+ are 9.75 and 10.71 wt%. Moreover, the maximum adsorption of charged systems are favorable in wider temperature range. Most importantly, the ADMP-MD simulations indicate that Sc2–C6H62+ can adsorb 6 hydrogen molecules within 1000 fs at 300K. It can be found that the gravimetric density (6.72 wt%) of Sc2–C6H62+ still exceeds the target of US Department of Energy (DOE) under ambient conditions. 相似文献
102.
Hitoshi Muta 《Journal of Nuclear Science and Technology》2019,56(5):367-368
Recent activities in the field of Nuclear Operational Management and Nuclear Safety Engineering, the studies related to risk analysis methodology, design, and operational management, physical phenomena, and emergency preparedness and nuclear security, have been progressed. Especially, ‘risk analysis methodology’ and ‘design and operational management’ are the main categories of the field, in which more than half of published articles on Journal of Nuclear Science and Technology are related to these categories. 相似文献
103.
Deunsol Hwang Jong-Beom Seo Hun-Young Park Jisu Kim Kiwon Lim 《International journal of molecular sciences》2021,22(2)
While exercise training (ET) is an efficient strategy to manage obesity, it is recommended with a dietary plan to maximize the antiobesity functions owing to a compensational increase in energy intake. Capsiate is a notable bioactive compound for managing obesity owing to its capacity to increase energy expenditure. We aimed to examine whether the antiobesity effects of ET can be further enhanced by capsiate intake (CI) and determine its effects on resting energy expenditure and metabolic molecules. Mice were randomly divided into four groups (n = 8 per group) and fed high-fat diet. Mild-intensity treadmill ET was conducted five times/week; capsiate (10 mg/kg) was orally administered daily. After 8 weeks, resting metabolic rate and metabolic molecules were analyzed. ET with CI additively reduced the abdominal fat rate by 18% and solely upregulated beta-3-adrenoceptors in adipose tissue (p = 0.013) but did not affect the metabolic molecules in skeletal muscles. Surprisingly, CI without ET significantly increased the abdominal fat rate (p = 0.001) and reduced energy expenditure by 9%. Therefore, capsiate could be a candidate compound for maximizing the antiobesity effects of ET by upregulating beta-3-adrenoceptors in adipose tissue, but CI without ET may not be beneficial in managing obesity. 相似文献
104.
V.A. Dekhtyarenko T.V. Pryadko D.G. Savvakin V.I. Bondarchuk G.S. Mogylnyy 《International Journal of Hydrogen Energy》2021,46(11):8040-8047
The influence of phase composition and microstructure of Ti42.75Zr27Mn20.25V10 alloy on its hydrogenation kinetic and phase composition of hydrogenated product was studied. It is established that the process of dissociation of hydrogen molecules begins on the surface of Laves phase crystallites. The dissolution of atomic hydrogen in the material volume leads to the formation of cracks in the intermetallic crystallites, which further appear as additional centers of dissociation of hydrogen molecules and noticeably accelerate the diffusion of hydrogen into the bulk material. It was shown that the Laves phase acts as a donor of atomic hydrogen for the BCC solid solution during hydrogenation of two-phase structure, initiating intensive hydrogenation of the BCC phase at room temperature. 相似文献
105.
Gabriel Rodrigues de Almeida Neto Cesar Augusto Gonçalves Beatrice Daniel Rodrigo Leiva Luiz Antonio Pessan 《International Journal of Hydrogen Energy》2021,46(46):23767-23778
This study investigates the preparation of polyetherimide (PEI) – LaNi5 composites films for hydrogen storage. Prior to the polymer addition, LaNi5 was ball-milled at different conditions (250, 350, and 450 RPM) and annealed at 500 °C for 1 h under vacuum. The composites were produced with BM-LaNi5-350 (PEI/LaNi5-350) and annealed BM-LaNi5-350 (PEI/LaNi5-350-TT). Membranes were successfully produced through solvent casting assisted by an ultrasonic bath. The particles dispersion and the film morphology did not change after hydrogenation cycles. In the H2 sorption experiments at 43 °C and 20 bar, the films stored H2 without incubation time; both samples reached a capacity of ~0.6 wt%. The H2 sorption kinetics of PEI/LaNi5-350 was comparable to that of BM-LaNi5-350, whereas PEI/LaNi5-350-TT presented significantly slower kinetics. LaNi5 oxidation was hindered by PEI, showing that it can be explored to improve metal hydrides air resistance. The results demonstrated that PEI films filled with LaNi5 are promising materials for hydrogen storage. 相似文献
106.
《Ceramics International》2022,48(8):10885-10894
Lead-free bismuth sodium titanate-strontium titanate (NBT-ST) dielectric ceramic materials have been extensively investigated energy storage materials because of their relaxor characteristics. In this study, four different lanthanide elements were introduced into the ferroelectric NBT-ST ceramic to improve their relaxor properties. The introduction of the lanthanide resulted in an increase in disorder at location A within the perovskite lattice and improved relaxor characteristics, leading to a stored energy density of more than 3.5 J/cm3. In particular, an ultrahigh recoverable stored energy density of 4.94 J/cm3 and efficiency of 88.45% were achieved at 440 kV/cm when the NBT-ST ceramic was modified with neodymium. The modified ceramic also exhibited good thermal stability in the range of 30–120 °C, as well as a fast discharge time of ~153 ns, indicating that Nd-incorporated NBT-ST is a promising candidate for electrical energy storage ceramic. 相似文献
107.
One of the major challenges in wireless body area networks (WBANs) is sensor fault detection. This paper reports a method for the precise identification of faulty sensors, which should help users identify true medical conditions and reduce the rate of false alarms, thereby improving the quality of services offered by WBANs. The proposed sensor fault detection (SFD) algorithm is based on Pearson correlation coefficients and simple statistical methods. The proposed method identifies strongly correlated parameters using Pearson correlation coefficients, and the proposed SFD algorithm detects faulty sensors. We validated the proposed SFD algorithm using two datasets from the Multiparameter Intelligent Monitoring in Intensive Care database and compared the results to those of existing methods. The time complexity of the proposed algorithm was also compared to that of existing methods. The proposed algorithm achieved high detection rates and low false alarm rates with accuracies of 97.23% and 93.99% for Dataset 1 and Dataset 2, respectively. 相似文献
108.
《Ceramics International》2022,48(24):36460-36468
Evaluation of the nonlinear relationship between the surface defect size and fracture strength of ceramics is important for engineering applications. In this study, we aim to predict the apparent nonlinear relationship between the defect size and fracture strength of single-edge notched beams (SENBs) using the finite element method. Specifically, we applied the methodology for predicting fracture strength from microstructure distribution data (relative density, pore size, aspect ratio, and grain size) to a finite element analysis (FEA) model in which the shape and size of the initial defects are defined at notch locations. By reproducing the apparent nonlinearity caused by the competition between the surface and internal defects within the framework of linear elastic fracture mechanics, the effectiveness of the FEA methodology for the evaluation of strength scatter and allowable crack size in ceramics was demonstrated. 相似文献
109.
《International Journal of Hydrogen Energy》2021,46(66):33186-33196
Additive doping is one of the effective methods to overcome the shortcomings of MgH2 on the aspect of relatively high operating temperatures and slow desorption kinetics. In this paper, hollow g-C3N4 (TCN) tubes with a diameter of 2 μm are synthesized through the hydrothermal and high-temperature pyrolysis methods, and then nickel is chemically reduced onto TCN to form Ni/TCN composite at 278 K. Ni/TCN is then introduced into the MgH2/Mg system by means of hydriding combustion and ball milling. The MgH2–Ni/TCN composite starts to release hydrogen at 535 K, which is 116 K lower than the as-milled MgH2 (651 K). The MgH2–Ni/TCN composite absorbs 5.24 wt% H2 within 3500 s at 423 K, and takes up 3.56 wt% H2 within 3500 s, even at a temperature as low as 373 K. The apparent activation energy (Ea) of the MgH2 decreases from 161.1 to 82.6 kJ/mol by the addition of Ni/TCN. Moreover, the MgH2–Ni/TCN sample shows excellent cycle stability, with a dehydrogenation capacity retention rate of 98.0% after 10 cycles. The carbon material enhances sorption kinetics by dispersing and stabilizating MgH2. Otherwise, the phase transformation between Mg2NiH4 and Mg2NiH0.3 accelerates the re/dehydrogenation reaction of the composite. 相似文献
110.
Xianjin Li Tianyu Li Pengcheng Xu Congxin Xie Yunhe Zhang Xianfeng Li 《Advanced functional materials》2021,31(22):2100133
Bromine-based flow batteries (Br-FBs) are considered one of the most promising energy storage systems due to their features of high energy density and low cost. However, they generally suffer from uncontrolled diffusion of corrosive bromine particularly at high temperatures. That is because the interaction between polybromide anions and the commonly used complexing agent (N–methyl–N–ethyl–pyrrolidinium bromide [MEP]) decreases with increasing temperatures, which causes serious self-discharge and capacity fade. Herein, a novel bromine complexing agent, 1–ethyl–2–methyl–pyridinium bromide (BCA), is introduced in Br-FBs to solve the above problems. It is proven that BCA can combine with polybromide anions very well even at a high temperature of 60 °C. Moreover, the BCA contributes to decreasing the electrochemical polarization of Br−/Br2 couple, which in turn improves their power density. As a result, a zinc–bromine flow battery with BCA as the complexing agent can achieve a high energy efficiency of 84% at 40 mA cm−2, even at high temperature of 60 °C and it can stably run for more than 400 cycles without obvious performance decay. This paper provides an effective complexing agent to enable a wide temperature range Br-FB. 相似文献