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941.
采用基于密度泛函理论的第一性原理赝势平面波方法,对稀土元素La,Y单掺杂和La和Y共掺杂GaN的晶格常数、电子结构及光学性质进行了计算与分析.计算结果表明:掺杂改变了GaN的能带结构,未掺杂和Y掺杂形成导带底和价带顶位于G点的直接带隙半导体,而La掺杂和La和Y共掺杂形成导带底位于G点,价带顶位于Q点的间接带隙半导体.可以通过掺杂元素来调制GaN的禁带宽度和带隙类型,掺杂均提高GaN在低能区的静态介电常数、反射率、折射率,使光子的跃迁强度增大,说明稀土元素La,Y掺杂可有效调制GaN的光电性质. 相似文献
942.
Jinke Bai Linfeng Wang Wenyong Chen Xiao Jin Qinghua Li Yuxiao Wang Xueru Zhang Yinglin Song 《Particle & Particle Systems Characterization》2020,37(8):2000115
Device grade quantum dots (QDs) require QDs ensembles to retain their original superior optical properties as in solution. QDs with thick shells are proven effective in suppressing the inter-dot interaction and preserving the emission properties for QDs solids. However, lattice strain–induced defects may form as the shell grows thicker, resulting in a notable photoluminescence quenching. Herein, a well-type CdxZn1−xS/CdSe/CdyZn1−yS QDs is proposed, where ternary alloys CdZnS are adopted to match the lattice parameter of intermediate CdSe by separately adjusting the x and y parameters. The resultant thick-shell Cd0.5Zn0.5S/CdSe/Cd0.73Zn0.27S QDs reveal nonblinking properties with a high PL QY of 99% in solution and 87% in film. The optimized quantum dot light-emitting diodes (QLEDs) exhibit a luminance of 31547.5 cd m−2 at the external quantum efficiency maximum of 21.2% under a bias of 4.0 V. The shell thickness shows great impact on the degradation of the devices. The T50 lifetime of the QLEDs with 11.2 nm QDs reaches 251 493 h, which is much higher than that of 6.5 and 8.4 nm QDs counterparts. The performances of the well-type thick-shell QLEDs are comparable to state-of-the-art devices, suggesting that this type of QDs is a promising candidate for efficient optoelectronic devices. 相似文献
943.
采用超声水浸聚焦斜入射方式进行小棒材表面、近表缺陷检测时,声波在水/棒和棒/缺陷界面会发生反射、折射、散射、衍射及波形转换等一系列物理变换。此时缺陷可检性对声波入射条件十分敏感,常出现由于检测条件设置不当而导致缺陷漏检、误检的情况。为解决这一问题,本文针对小棒材超声斜入射检测中的主要参数——入射角和水距,开展声场及缺陷声响应仿真,研究检测参数对不同部位缺陷检测能力的影响,并对仿真结果进行试验验证。通过研究得到了检测水距、入射角度对缺陷检测能力的影响,并得到最优检测条件。试验验证结果表明研究制定的检测方案可有效检测出表面、近表面裂纹缺陷。 相似文献
944.
为消除传统单元中心型Godunov方法在求解稀疏波问题时的非物理过热现象,发展一种适用于等熵流动的交错拉氏Godunov方法.主要的特征是采用速度与热力学变量交错分布的形式,避免在单元内进行速度平均,从而消除由于动量平均过程导致的动能耗散.与传统的von Neumann型交错网格方法相比,网格的边界通量由节点处的多维黎曼求解器提供,克服了多维人工粘性选取带来的困难.为减少多维黎曼求解器在求解稀疏波问题时的非物理熵增,给出稀疏波出现的合理判据,从而保证了热力学关系式的满足.数值实验表明:该方法能很好地消除稀疏波的过热现象,同时在求解激波问题时又能保持与传统单元中心型拉氏方法相同的激波捕捉能力. 相似文献
945.
946.
ABSTRACT In Ni-based superalloys, it is usually found that borides can strengthen the grain boundaries, thereby resulting in an increase in mechanical strength and high-temperature creep properties. Due to their importance and prevalence in Ni-based superalloys, this study employs first-principles methods to investigate the crystallographic structure, anisotropic elastic response, and electronic properties of the major borides, such as M2B, M5B3 and M3B2 (M: Cr, Mo, W), respectively, which is necessary for the assessment of complex mechanical responses of Ni-based superalloys. The results demonstrate that the studied borides are all thermodynamically and mechanically stable. Among the M x B y binary borides analysed, Cr x B y exhibits the largest shear modulus, Young’s modulus, and Vicker hardness values, and these properties increase with the increase of B contents. The studied borides display nearly isotropic elastic properties except for W5B3 and W3B2. The electronic structure analysis of M x B y shows that the strong hybridisation between M-d and B-p orbitals leads to these borides exhibiting higher theoretical hardness, and the overlapping peaks of M-d and B-p orbitals move to a lower energy area with the increase of B contents, which leads to the increase of shear and Young’s moduli of M x B y . Furthermore, for M3B2 borides, the Cr-B bonds and Cr–Cr bonds are much stronger than the W-B & Mo-B bonds, and W-W & Mo-Mo bonds, respectively, which leads to Cr x B y yielding the largest values of elastic moduli. 相似文献
947.
QiuHong Wang Abdusalam Abdukerim Wei Chen Xun Chen YunHua Chen XiangYi Cui YingJie Fan DeQing Fang ChangBo Fu LiSheng Geng Karl Giboni Franco Giuliani LinHui Gu XuYuan Guo Ke Han ChangDa He Di Huang Yan Huang YanLin Huang Zhou Huang Peng Ji XiangDong Ji YongLin Ju YiHui Lai Kun Liang HuaXuan Liu JiangLai Liu WenBo Ma YuGang Ma YaJun Mao Yue Meng Parinya Namwongsa KaiXiang Ni JinHua Ning XuYang Ning XiangXiang Ren ChangSong Shang Lin Si AnDi Tan AnQing Wang HongWei Wang Meng Wang SiGuang Wang XiuLi Wang Zhou Wang MengMeng Wu ShiYong Wu JingKai Xia MengJiao Xiao PengWei Xie BinBin Yan JiJun Yang Yong Yang ChunXu Yu Jumin Yuan Dan Zhang HongGuang Zhang Tao Zhang Li Zhao QiBin Zheng JiFang Zhou Ning Zhou XiaoPeng Zhou 《中国科学:物理学 力学 天文学(英文版)》2020,(3):54-63
In dark matter direct detection experiments,neutron is a serious source of background,which can mimic the dark matter-nucleus scattering signals.In this paper,we present an improved evaluation of the neutron background in the PandaX-II dark matter experiment by a novel approach.Instead of fully relying on the Monte Carlo simulation,the overall neutron background is determined from the neutron-induced high energy signals in the data.In addition,the probability of producing a dark-matter-like background per neutron is evaluated with a complete Monte Carlo generator,where the correlated emission of neutron(s)andγ(s)in the(α,n)reactions and spontaneous fissions is taken into consideration.With this method,the neutron backgrounds in the Run 9(26-ton-day)and Run 10(28-ton-day)data sets of PandaX-II are estimated to be(0.66±0.24)and(0.47±0.25)events,respectively. 相似文献
948.
In order to meet the practical needs of all-fiber conductivity-temperature-depth sensors with high sensitivity,compact structure,and easy packaging,this Letter uses a microfiber coupler combined with fiber loop(MCFL)reflective photonic device to conduct salinity,temperature,and deep sensing experiments.These MCFLs’dynamic range and resolution of salinity,temperature,and depth can meet the requirements of actual marine environment monitoring.This structure opens up a new design idea for the practical research of microfiber coupler-based marine environmental parameter sensors. 相似文献
949.
Zhitao Cui Wei Du Chengwei Xiao Qiaohong Li Rongjian Sa Chenghua Sun Zuju Ma 《Frontiers of Physics》2020,15(6):63502
MoS2 is a promising candidate for hydrogen evolution reaction (HER), while its active sites are mainly distributed on the edge sites rather than the basal plane sites. Herein, a strategy to overcome the inertness of the MoS2 basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory (DFT) computations. The ab initio molecular dynamics (AIMD) simulation on B@MoS2 suggests high thermodynamic and kinetic stability. We found that the rather strong adsorption of hydrogen by B@MoS2 can be alleviated by stress engineering. The optimal stress of −7% can achieve a nearly zero value of ΔGH (~ −0.084 eV), which is close to that of the ideal Pt–SACs for HER. The novel HER activity is attributed to (i) the B– doping brings the active site to the basal plane of MoS2 and reduces the band-gap, thereby increasing the conductivity; (ii) the compressive stress regulates the number of charge transfer between (H)–(B)–(MoS2), weakening the adsorption energy of hydrogen on B@MoS2. Moreover, we constructed a SiN/B@MoS2 heterojunction, which introduces an 8.6% compressive stress for B@MoS2 and yields an ideal ΔGH. This work provides an effective means to achieve high intrinsic HER activity for MoS2. 相似文献
950.