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941.
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
942.
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
943.
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
944.
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
945.
946.
在HIT太阳电池非晶硅沉积过程中,单晶硅衬底的绒面金字塔沟壑处易发生外延生长,影响电池输出性能.采用碱性体系(NaClO溶液)对硅片进行绒面形貌修饰,在NaOH的各向异性刻蚀和NaClO的氧化作用下,金字塔结构由尖锐的四面体向较圆滑的“锥形”转变,尤其金字塔底部变得平滑.随着形貌修饰时间的增加,样品表面平均反射率呈线性增大,从未修饰样品的12.48;升高至13.79;,钝化后硅片少子寿命显著提升,绒面形貌修饰有效改善了界面钝化质量,中长波外量子效率提升,从而实现电池电性能的提升.样品绒面形貌修饰45 min后,开路电压从656.3 mV升高至699.8 mV,转换效率提高1.8;.此外,研究了反应温度对表面形貌修饰及HIT太阳电池性能的影响,基于70℃、10; NaClO溶液、45 min的绒面修饰条件下制备的HIT太阳电池转换效率达到最高,为12.02;. 相似文献
947.
Sulfated porous carbon (PC-SO3H) catalyst was successfully synthesized from one-pot treatment of porous polydivinylbenzene in H2SO4 at 250 C, which exhibited very good catalytic performances in the production of 5-hydroxymethylfurfural from fructose. 相似文献
948.
合成了一种含有多吡啶基配体2,6-双((双(吡啶-2-基甲基)氨基)甲基)吡啶(BPA-TPA)的双核单功能铂(Ⅱ)配合物[Pt2(BPA-TPA)Cl2]Cl2(Pt2-BPA-TPA),以核磁共振波谱和高分辨质谱进行表征,并通过X射线单晶衍射确定了Pt2-BPA-TPA的结构。琼脂凝胶电泳实验表明 Pt2-BPA-TPA 在 10 μmol·L-1的低浓度下可有效切割 pBR322 DNA。通过 CCK-8(cell counting kit-8)实验检测了Pt2-BPA-TPA 对人肺癌细胞系A549的细胞毒性,结果显示Pt2-BPA-TPA 表现出比顺铂更好的抗癌活性,其主要通过触发DNA损伤和上调下游凋亡相关细胞信号通路蛋白(p21蛋白和cleaved-caspase-3)诱导细胞凋亡。 相似文献
949.
A new sandwiched polyoxometalate [HK11Cd4Cl2(PW9034)2]·18H2O (1), incor- porating a unique hybrid tetranuclear cadmium cluster (abbreviated to {Cd4}) with two trivacant polyanions [B-α-PW9O34]9-, has been hydrothermally synthesized and structurally characterized by elemental analyses, IR spectroscopy, UV-vis, and single-crystal X-ray diffraction analysis. Crystal data for 1: monoclinic, space group C2/c, a = 19.2997(4), b = 13.8014(3), c = 31.9819(8) A, β = 102.764(2)°, V= 8308.3(3) A3, Z = 4, P2O86Cl2K11Cd4W18H37, Mr = 5735.13, Dc = 4.584 mg-mm-3, F(000) = 10084, μ = 26.579 mm-1, the final R = 0.0378 and wR = 0.0989 for 6558 observed reflections (I〉 2σ(I)). X-ray crystallographic study shows that the molecular structure of 1 contains four cadmium atoms. Two CdO6 distorted octahedra and two CdOsC1 distorted octahedra combine with each other in turn via edge-sharing, resulting in a regular rhomb-like cluster sandwiched between two {B-a-PW9034} units. Further, the sandwich-type polyoxoanions were connected by K+ ions to form a complicated 3-D open-framework through connecting with each terminal O atom of the [Cd4C12(PW9O34)2]12- polyoxoanions. In addition, compound 1 exhibits photoluminescence property at room temperature and the band gap can be assessed at 3.25 eV. 相似文献
950.
Ultrathin Co3S4 Nanosheets that Synergistically Engineer Spin States and Exposed Polyhedra that Promote Water Oxidation under Neutral Conditions 下载免费PDF全文
Youwen Liu Dr. Chong Xiao Mengjie Lyu Dr. Yue Lin Weizheng Cai Pengcheng Huang Prof. Wei Tong Prof. Youming Zou Prof. Yi Xie 《Angewandte Chemie (International ed. in English)》2015,54(38):11231-11235
Development of efficient and affordable electrocatalysts in neutral solutions is paramount importance for the renewable energy. Herein, we report that the oxygen evolution reaction (OER) performance of Co3S4 under neutral conditions can be enhanced by exposed octahedral planes and self‐adapted spin states in atomically thin nanosheets. A HAADF image clearly confirmed that the active octahedra with Jahn–Teller distortions were exposed exclusively. Most importantly, in the atomically thin nanosheets, the spin states of Co3+ in the octahedral self‐adapt from low‐spin to high‐spin states. As a result, the synergistic effect endow the Co3S4 nanosheets with superior OER performance, with exceptional low onset overpotentials of circa 0.31 V in neutral solutions, which is state‐of‐the‐art among inorganic non‐noble metal compounds. 相似文献