排序方式: 共有66条查询结果,搜索用时 188 毫秒
51.
52.
First-principles study of the effects of selected interstitial atoms on the generalized stacking fault energies,strength, and ductility of Ni 下载免费PDF全文
We analyze the influences of interstitial atoms on the generalized stacking fault energy (GSFE), strength, and ductility of Ni by first-principles calculations. Surface energies and GSFE curves are calculated for the (112) (111) and / 101) ( 1 1 1) systems. Because of the anisotropy of the single crystal, the addition of interstitials tends to promote the strength of Ni by slipping along the (10T) direction while facilitating plastic deformation by slipping along the (115) direction. There is a different impact on the mechanical behavior of Ni when the interstitials are located in the slip plane. The evaluation of the Rice criterion reveals that the addition of the interstitials H and O increases the brittleness in Ni and promotes the probability of cleavage fracture, while the addition of S and N tends to increase the ductility. Besides, P, H, and S have a negligible effect on the deformation tendency in Ni, while the tendency of partial dislocation is more prominent with the addition of N and O. The addition of interstitial atoms tends to increase the high-energy barrier γmax, thereby the second partial resulting from the dislocation tends to reside and move on to the next layer. 相似文献
53.
Finger interruptions are common problems in screen printed solar cells, resulting in poor performance in efficiency because of high effective series resistance. Electroluminescence(EL) imaging is typically used to identify interrupted fingers. In this paper, we demonstrate an alternative method based on photoluminescence(PL) imaging to identify local series resistance defects, with a particular focus on finger interruptions. Ability to detect finger interruptions by using PL imaging under current extraction is analyzed and verified. The influences of external bias control and illumination intensity on PL images are then studied in detail. Finally, in comparison with EL imaging, the using of PL imaging to identify finger interruptions possesses the prominent advantages: in PL images, regions affected by interrupted fingers show higher luminescence intensity, while regions affected by recombination defects show lower luminescence intensity. This inverse signal contrast allows PL imaging to more accurately identify the defect types. 相似文献
54.
基于密度泛函理论,对Ag在MgF2低指数表面(100)面、(001)面、(110)面的吸附行为及吸附机理进行分析,并研究了吸附对体系结构稳定性及光学性能的影响。结果表明:Ag在MgF2表面的吸附为稳定的化学吸附,在(100)面、(001)面、(110)面的最佳吸附位分别为最外层F的四重穴位、短桥位、长桥位;吸附机理主要表现为Ag与附近F的共价键作用。吸附Ag后,MgF2表面稳定性增加,稳定性顺序由吸附前的(001)(100)(110),变为吸附后的(100)(110)(001)。在300 nm到1000 nm波段,MgF2(100)面、(001)面吸附Ag体系,折射率实部较吸附前减小。 相似文献
55.
56.
Employing density functional theory, we study the tensile and fracture processes of the phase interfaces in Mg–Li binary alloy. The simulation presents the strain–stress relationships, the ideal tensile strengths, and the fracture processes of three phase interfaces. The results show that the α/α and α/β interfaces have larger tensile strength than that of β/β interface. The fractures of both α/α and β/β interfaces are ductile fractures, while the α/β fractures abruptly._Further analyses show that the fracture of the α/β occurs at the interface. 相似文献
57.
58.
59.
60.
Ti掺杂SnO2固溶体是钛基氧化物耐酸阳极的重要组成部分. 采用基于密度泛函理论的第一性原理对Sn1-xTixO2(x=0, 1/12, 1/8, 1/6, 1/4, 1/2, 3/4, 5/6)固溶体的电子结构进行计算, 分析了能带结构、 电子态密度和电荷密度以及晶格参数的变化. 结果表明, Ti掺入SnO2晶格后, 其晶格参数随组分增加近似呈直线降低, Ti-O键的共价性强于Sn-O键. 掺杂后带隙仍为直接带隙, 且随着掺杂比例的增加, 带隙逐渐减小. 当掺杂比例x=0.5时, 形成能达到最低值(-6.11 eV), 固溶体最稳定. 本文的计算结果为钛基氧化物电极材料的研究与开发提供了一定的理论依据. 相似文献