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1.
为提高催化剂抗砷能力,采用密度泛函理论(DFT)方法研究As2O3在α-Fe2O3(001)表面的吸附行为以及掺杂Mo、Mn、Ni对α-Fe2O3(001)表面As2O3吸附行为的影响。建立As2O3在α-Fe2O3(001)表面吸附模型和Mo、Mn、Ni掺杂的吸附模型,计算As2O3在催化剂表面的吸附能,分析成键态密度以及掺杂前后的As2O3在α-Fe2O3(001)表面的电荷布局。结果表明:这4种体系均发生电子转移,Mo掺杂活化了As2O3分子,使得As2O3倾向于吸附在Mo活性位点上,保护了Fe活性位点,... 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(73):31330-31341
A class of ruthenium-nickel alloy catalysts featured with nanoporous nanowires (NPNWs) were synthesized by a strategy combining rapid solidification with two-step dealloying. RuNi NPNWs exhibit excellent electrocatalytic activity and stability for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in which the RuNi-2500 NPNWs catalyst shows an OER overpotential of 327 mV to deliver a current density of 10 mA cm?2 and the RuNi-0 NPNWs catalyst requires the overpotential of 69 mV at 10 mA cm?2 showing the best HER activity in alkaline media. Moreover, the RuNi-1500 NPNWs catalyst was used as the bifunctional electrocatalyst in a two-electrode alkaline electrolyzer for water splitting, which exhibits a low cell voltage of 1.553 V and a long-term stability of 24 h at 10 mA cm?2, demonstrating that the RuNi NPNWs catalysts can be considered as promising bifunctional alkaline electrocatalysts. 相似文献
3.
《International Journal of Project Management》2022,40(3):192-204
Project complexity consisting of interrelated organizational and technological components is the inherent nature of new product development (NPD) projects. Although substantial empirical research has demonstrated the negative performance effect of project complexity, a handful of studies have provided inconsistent results. Additional in-depth attention is urgently needed to understand the conditional boundaries and internal mechanisms that affect the complexity-performance relationship. Based on a perspective of counterproductive knowledge processes, this study examines the mediating role of knowledge hiding in the linkage between project complexity and project performance as well as the contingent role of informal mechanisms (i.e., trust). Data were collected from a sample of 109 NPD projects in the Chinese high-tech industry. Our findings indicated that project complexity was positively associated with knowledge hiding and exerted an indirect negative influence on project performance via knowledge hiding. Trust was found to significantly moderate the complexity-knowledge hiding and knowledge hiding-performance paths. Moreover, as trust increases, the negative indirect impact of project complexity on project performance was found to become weaker. Finally, theoretical implications, practical guidelines and limitations were discussed. 相似文献
4.
采用计算流体力学的方法,分析常规烟囱内筒的流动特征,包括流动角区的分布、流动压降的分布,以及横截面积和侧面积对流动阻力的影响。针对半圆形内筒压降较大的问题,提出一种优弧弓形内筒,可有效结合圆形内筒和半圆形内筒的优点,具有结构紧凑、横截面积小且流动压降低的特点。研究表明,当内筒横截面积相同时,优弧弓形内筒的压降小于半圆形内筒,略大于圆形内筒的压降。为确保与圆形内筒具有相同压降,半圆形内筒应增大横截面积约5%,而优弧弓形内筒应增大横截面积约3%。该结果可为电厂烟囱内筒的设计提供参考。 相似文献
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6.
在总结前人钨中空位及其团簇的能量学和动力学行为的研究成果基础上,采用第一性原理方法系统计算了钨中空位及其团簇的结合能和扩散能垒。研究发现,交换关联泛函PW91和PBE较PBEsol、AM05和LDA更适合用于计算钨空位的能量学性质。基于第一性原理计算结果对文献中单空位形成能、双空位作用性质等争议性问题进行了讨论,并对钨经验势进行了评估。研究结果表明,钨中孤立单空位间总是相互排斥,而空位团簇(Vn>3)对单空位具有很强的吸引作用,其结合能随着所含空位个数增多呈现波动性增大的趋势。空位团簇稳定结构可通过最小化Wigner-Seitz表面积来确定,其结合能与Vn与Vn-1之间的Wigner-Seitz面积之差呈正比。 相似文献
7.
为预测湿法脱硫系统(wet flue gas desulfurization, WFGD)浆液温度,提出湿烟气绝热饱和温度的概念,推导浆液温度与入口烟气温度及含湿量的函数关系。基于预测的浆液温度,建立脱硫塔内液滴运动、热质传递及压差分布一维耦合数学模型;分析脱硫系统三维不均匀性对于模型准确度的影响;用龙格-库塔法对模型进行迭代求解,探讨脱硫塔内主要运行变量(浆液颗粒直径、烟气入口温度及液气比)对传热传质的影响,获得相关参数的一维分布规律。为验证模型的正确性,分别进行现场测试和物模试验。结果表明,预测的浆液温度与现场实测温度有较好的一致性,最大相对误差为4.56%;浆液颗粒直径是影响传热传质的主要因素;颗粒在下降过程中速度迅速衰减,并趋向于最终不变值;烟气温度沿塔高呈指数规律分布。与模型预测温度及压力相比,物模试验温度分布与压力分布的最大相对误差分别为4.72%和6.46%。模型具有较高的准确度,对脱硫塔的设计、运行及SO2的传质研究有指导意义。 相似文献
8.
针对行内纵向通道数量和位置具有不确定性的多行设施布局问题,建立了以最小化物流强度、最小化搬运设备空载运行强度及最大化相互关系为设计目标的布局优化模型,并针对所建立的模型提出了一种基于映射规则的随机秘钥蝙蝠算法。在蝙蝠算法中引入随机秘钥编码思想,定义了基于随机秘钥编码的蝙蝠位置向多行设施布局组合解的映射规则与映射步骤,使算法在不进行离散化处理的前提下,可以在连续空间上执行,并在组合空间上映射出码长不同的布局方案。最后,以一个多行设施布局问题为实例,采用所提出的随机秘钥蝙蝠算法进行求解,证明了算法的优越性。 相似文献
9.
单晶硅作为典型的脆性材料,实现其塑性域去除加工的关键是使切削深度小于裂纹萌生切削深度。采用断裂强度理论,建立单晶硅刻划加工时的径向裂纹、中位裂纹和横向裂纹萌生刻划深度计算方法,计算得到裂纹萌生的刻划深度和划痕深度。设计高速刻划单晶硅的玻氏压头试验装置,并进行单晶硅片刻划试验,实测其径向裂纹萌生的划痕深度,其划痕深度计算值与试验测量值一致性较好。 相似文献
10.
《矿业科学技术学报(英文版)》2021,31(4):591-601
Automatically formed roadway(AFR) by roof cutting with bolt grouting(RCBG) is a new deep coal mining technology. By using this technology, the broken roadway roof is strengthened, and roof cutting is applied to cut off stress transfer between the roadway and gob to ensure the collapse of the overlying strata. The roadway is automatically formed owing to the broken expansion characteristics of the collapsed strata and mining pressure. Taking the Suncun Coal Mine as the engineering background, the control effect of this new technology on roadways was studied. To compare the law of stress evolution and the surrounding rock control mechanisms between AFR and traditional gob-side entry driving, a comparative study of geomechanical model tests on the above methods was carried out. The results showed that the new technology of AFR by RCBG effectively reduced the stress concentration of the roadway compared with gob-side entry driving. The side abutment pressure peak of the solid coal side was reduced by 24.3%, which showed an obvious pressure-releasing effect. Moreover, the position of the side abutment pressure peak was far from the solid coal side, making it more beneficial for roadway stability. The deformation of AFR surrounding rock was also smaller than the deformation of the gob-side entry driving by the overload test. The former was more beneficial for roadway stability than the latter under higher stress conditions. Field application tests showed that the new technology can effectively control roadway deformation. Moreover, the technology reduced roadway excavation and avoided resource waste caused by reserved coal pillars. 相似文献