Theoretical investigation of the crystallographic structure,anisotropic elastic response,and electronic properties of the major borides in Ni-based superalloys

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.     

Recent Progress on Nickel-Based Oxide/(Oxy)Hydroxide Electrocatalysts for the Oxygen Evolution Reaction

Developing clean and sustainable energies as alternatives to fossil fuels is in strong demand within modern society. The oxygen evolution reaction (OER) is the efficiency-limiting process in plenty of key renewable energy systems, such as electrochemical water splitting and rechargeable metal–air batteries. In this regard, ongoing efforts have been devoted to seeking high-performance electrocatalysts for enhanced energy conversion efficiency. Apart from traditional precious-metal-based catalysts, nickel-based compounds are the most promising earth-abundant OER catalysts, attracting ever-increasing interest due to high activity and stability. In this review, the recent progress on nickel-based oxide and (oxy)hydroxide composites for water oxidation catalysis in terms of materials design/synthesis and electrochemical performance is summarized. Some underlying mechanisms to profoundly understand the catalytic active sites are also highlighted. In addition, the future research trends and perspectives on the development of Ni-based OER electrocatalysts are discussed.     

Existence of nontrivial solutions for fractional Schrödinger equations with critical or supercritical growth

In this paper, we study the following fractional Schrödinger equation with critical or supercritical growth where 0 < s < 1, N > 2s, λ > 0, , , ( ? Δ)^s denotes the fractional Laplacian of order s and f is a continuous superlinear but subcritical function. Under some suitable conditions, we prove that the equation has a nontrivial solution for small λ > 0 by variational methods. Our main contribution is related to the fact that we are able to deal with the case .     

Stabilized Nonconforming Mixed Finite Element Method for Linear Elasticity on Rectangular or Cubic Meshes

Based on the primal mixed variational formulation, a stabilized nonconforming mixed finite element method is proposed for the linear elasticity on rectangular and cubic meshes. Two kinds of penalty terms are introduced in the stabilized mixed formulation, which are the jump penalty term for the displacement and the divergence penalty term for the stress. We use the classical nonconforming rectangular and cubic elements for the displacement and the discontinuous piecewise polynomial space for the stress, where the discrete space for stress are carefully chosen to guarantee the well-posedness of discrete formulation. The stabilized mixed method is locking-free. The optimal convergence order is derived in the $L^2$-norm for stress and in the broken $H^1$-norm and $L^2$-norm for displacement. A numerical test is carried out to verify the optimal convergence of the stabilized method.     

Co/SBA-16:对柴油组分有高选择性的费托合成催化剂(英文)

使用浸渍法制备了一系列Co/SBA-16催化剂,并通过氮物理吸附、X射线衍射、氢程序升温还原、氢化学吸附和透射电镜技术对催化剂行了表征。研究表明,随着负载钴含量的增加,金属钴的分散度降低了,这是同Co3O4晶粒增长和比表面积降低相一致的。Co/SBA-16催化剂展示了高的一氧化碳转化率,低的C1选择性和高的C5+选择性,特别对柴油组分有高选择性。     

Bogdanov‐Takens bifurcations of codimensions 2 and 3 in a Leslie‐Gower predator‐prey model with Michaelis‐Menten–type prey harvesting

The Bogdanov‐Takens bifurcations of a Leslie‐Gower predator‐prey model with Michaelis‐Menten–type prey harvesting were studied. In the paper “Diff. Equ. Dyn. Syst. 20(2012), 339‐366,” Gupta et al proved that the Leslie‐Gower predator‐prey model with Michaelis‐Menten–type prey harvesting has rich dynamics. Some equilibria of codimension 1 and their bifurcations were discussed. In this paper, we find that the model has an equilibrium of codimensions 2 and 3. We also prove analytically that the model undergoes Bogdanov‐Takens bifurcations (cusp cases) of codimensions 2 and 3. Hence, the model can have 2 limit cycles, coexistence of a stable homoclinic loop and an unstable limit cycle, supercritical and subcritical Hopf bifurcations, and homoclinic bifurcation of codimension 1 as the values of parameters vary. Moreover, several numerical simulations are conducted to illustrate the validity of our results.     

深入研究模糊逻辑的必要性与紧迫性

因为"取大取小"不是数学计算,所以基于"取大取小"的模糊逻辑不能为数值转换提供算法支撑,使得模糊理论面临无合适模型可用的被动境地.指出,模糊逻辑是逻辑的一个新的近似推理研究方向,它的量化方法是数值计算;目的是支撑隶属度转换,使得由指标隶属度确定的目标隶属度是"真值"在当前条件下的最优近似.模糊逻辑是在隶属度转换条件下对人类近似推理本领规范的一种方法.而进行规范的依据是区分权滤波的冗余理论,实质性计算是由冗余理论导出的、实现隶属度转换的非线性去冗算法;相应的隶属度转换模型是非线性数学模型.     

Electrochromic Detection of Latent Fingermarks on Metal Surface Using 1,1′-Dibenzyl-4,4′-bipyridinium Dichloride

The electrochromic detection of latent fingermarks on polished or unpolished, flat or curved metal surfaces is described using electrochromic material, 1,1’-dibenzyl-4,4’-bipyridinium dichloride. The surface area covered by fingermarks acts as an insulating mask, causing 1,1’-dibenzyl-4,4’-bipyridinium dichloride to change color and produce inversed images of the fingermark. By changing the applied potential, the optical properties of 1,1’-dibenzyl-4,4’-bipyridinium dichloride can be continuously and reversibly adjusted to optimize the visual contrast of fingermarks, so as to realize the detection of latent fingermarks on stainless steel surface. It is demonstrated that the fabricated electrochromic devices can detect the fingermarks on these types of surfaces within twenty seconds at −1.0∼−2.0 V. This work can qualify as a tangible improvement in fingermark detection of the natural fingermarks on the never-cleaned (more than 3 years) and curved surfaces of daily-used container, e. g. cup, and the handle of cleaning tool, mop.     

治疗非小细胞肺癌脑转新药:Zorifertinib

新药Zorifertinib是阿斯利康公司针对非小细胞肺癌(NSCLC)脑转研发的一种表皮生长因子酪氨酸激酶抑制剂(EGFR-TKI),对EGFR 19外显子缺失和EGFR 21外显子L858R突变有高选择性和高抑制性,相较于其他EGFR-TKIs的突出优势是具有优秀的血脑屏障渗透性。临床研究表明Zorifertinib可以在脑内达到等同血浆的药物浓度,有效抑制脑内肿瘤生长,减少脑内肿瘤面积,并且预防脑内肿瘤形成。本文将对该新药的作用机制、研发历程、药代动力学、临床研究和安全性进行综述,为广大研究者以及今后的临床应用提供参考。