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1.
We report optical and nonlinear optical properties of CuS quantum dots and nanoparticles prepared through a nontoxic, green, one-pot synthesis method. The presence of surface states and defects in the quantum dots are evident from the luminescent behavior and enhanced nonlinear optical properties measured using the open aperture Z-scan, employing 5 ns laser pulses at 532 nm. The quantum dots exhibit large effective third order nonlinear optical coefficients with a relatively lower optical limiting threshold of 2.3 J cm−2, and the optical nonlinearity arises largely from absorption saturation and excited state absorption. Results suggest that these materials are potential candidates for designing efficient optical limiters with applications in laser safety devices. 相似文献
2.
By employing the perturbation formulae of the spin Hamiltonian parameters (SHPs) (g factors gxx, gyy, gzz, hyperfine structure constants Axx, Ayy, Azz and superhyperfine parameters Axx׳, Ayy׳, Azz׳) for a 3d1 ion in orthorhombically elongated octahedra and tetrahedra, the defect structures and the experimental EPR spectra are theoretically and systematically investigated for the two orthorhombic Ti3+ centers C1 and C2 in ZnWO4. Center C1 is ascribed to the impurity Ti3+ at host W6+ site associated with two nearest neighbor oxygen vacancies due to charge compensation. The resultant tetrahedral [TiO4]5– cluster is determined to undergo the local orthorhombic elongation distortion, characterized by the axial distortion angle Δθ (=θ–θ0≈–6.84°) of the local impurity-ligand bond angle θ related to θ0 (≈54.74°) and the perpendicular distortion angle Δε (=ε–ε0≈2.5°) related to ε0 (≈45°) of an ideal tetrahedron because of the Jahn–Teller effect. Center C2 is attributed to Ti3+ on Zn2+ site, and this octahedral [TiO6]9– cluster may experience the local axial elongation ΔZ (≈0.001 Ǻ) and the planar bond angle variation Δφ (≈9.1°) due to the Jahn–Teller effect, resulting in a more regular oxygen octahedron. All the calculated SHPs (i.e., g factors for both centers, the hyperfine structure constants for center C2 and superhyperfine parameters of next nearest neighbor ligand W for center C1) show good agreement with the observed values. However, the theoretical results based on the previous assignment of center C1 as Ti3+ on W6+ site with only one nearest planar oxygen vacancy (i.e., five-fold coordinated octahedral [TiO5]7– cluster) show much worse agreement with the experimental data. The defect structures and the SHPs (especially the g anisotropies) are discussed for both centers. The present studies on the superhyperfine parameters of ligand W6+ for center C1 would be helpful to further investigations on the superhyperfine interactions of cation ligands which were rather scarcely treated before. 相似文献
3.
《Journal of Crystal Growth》2006,286(2):205-208
We demonstrated seeded growth of AlN on large-area Al- and N-polar <0 0 0 1>-oriented AlN seeds using the physical vapor transport method (PVT). In both cases, crystals having a diameter of 15 mm were obtained from 5 mm seeds. Based on growth step and terrace width analyses, it was found that the N-polar face was suitable for growth within a large window of growth parameters while the Al-polar seeds yielded high-quality crystals only at low supersaturation. 相似文献
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Molecular dynamics simulation of thermodynamic properties of NaCl at high pressures and temperatures 总被引:1,自引:0,他引:1
Qifeng Chen Lingcang Cai Dongquan Chen 《Journal of Physics and Chemistry of Solids》2004,65(6):1077-1081
The expansivity, constant-pressure heat capacity, and isothermal bulk modulus of sodium chloride (NaCl) have been obtained by using molecular dynamics method. The calculated thermodynamic parameters are found to be in agreement with the available experimental data. At an extended temperature and pressure ranges, these parameters have also been predicted. The thermodynamic properties of NaCl are summarized in the pressure 0-500 kbar ranges and the temperature up to 1000 K. 相似文献
8.
Xiaowei Sun Zijiang Liu Qifeng Chen Chengwei Wang 《Journal of Physics and Chemistry of Solids》2007,68(2):249-255
Molecular dynamics (MD) method is used to investigate the behavior of the pressure-volume-temperature (P-V-T) relationship, lattice constant and thermal expansivity for ZnO with rock-salt structure at high pressures and temperatures. The interionic potential is taken to be the sum of pair-wise additive Coulomb, van der Waals attraction, and repulsive interactions. The isothermal and isobaric properties are discussed from the corresponding P-V-T relationship, and it is shown that the MD simulation is successful in reproducing the measured volumes of ZnO over a wide range of temperature and pressure. Meanwhile, the equations of state parameters including lattice constant, linear thermal expansion coefficient, and isothermal bulk modulus are calculated and compared with the available experimental data and the latest theoretical results. At an extended pressure and temperature range, P-V-T relationship, lattice constant, and linear thermal expansion coefficient have been predicted. The structural and thermodynamic properties of ZnO with rock-salt structure are summarized in the pressure 0-100 GPa ranges and the temperature up to 3100 K. 相似文献
9.
Crystal-Orientation Dependent Evolution of Edge Dislocations from a Void in Single Crystal Cu 下载免费PDF全文
The micro-void growth by dislocation emission under tensile loading is explored with focus on the influence of crystal orientations. Based on the elastic theory, a dislocation emission criterion is formulated. It is predicted that the preferential location of dislocation nucleation and its threshold stress are dependent on the crystal orientation. Large-scale molecular dynamics (MD) simulations are also performed for single crystal copper to illustrate the dislocation evolution pattern associated with a nano-void growth. The results are in line with those given by the theoretical prediction. As revealed by MD simulations, the characteristics of void growth at micro-scale depend greatly on the crystal-orientation. 相似文献
10.
利用内径为57 mm的压缩气炮,在撞击速度为0.2~1.2 km/s(相应的靶中压力为3~15 GPa)范围内进行对称碰撞实验,以研究TC4(Ti-Al6-V4)钛合金在一维应变冲击压缩条件下的绝热剪切现象。对回收得到的受冲击样品,在扫描电镜(SEM)下进行细观金相分析。结果指出,一维应变冲击压缩条件下,TC4钛合金中绝热剪切带产生的对称碰撞速度阈值为500 m/s(相当于样品中的压力为5.87 GPa);主剪切带与冲击方向约为45°角,带上有圆形和椭圆形两种孔洞且随碰撞速度的增大而增多和长大,这是典型的韧性损伤特征。随碰撞速度增大,产生与主剪切带成15°角的支剪切带。这些与理论预言相符。X射线能谱分析结果指出,剪切带内材料发生了(α+β)→β相的转变,是典型的相变带。剪切带的温度估算与实验提供的信息吻合。 相似文献