Epitaxial Growth of 2D Materials on High-Index Substrate Surfaces

Recently, the successful synthesis of wafer-scale single-crystal graphene, hexagonal boron nitride (hBN), and MoS₂ on transition metal surfaces with step edges boosted the research interests in synthesizing wafer-scale 2D single crystals on high-index substrate surfaces. Here, using hBN growth on high-index Cu surfaces as an example, a systematic theoretical study to understand the epitaxial growth of 2D materials on various high-index surfaces is performed. It is revealed that hBN orientation on a high-index surface is highly dependent on the alignment of the step edges of the surface as well as the surface roughness. On an ideal high-index surface, well-aligned hBN islands can be easily achieved, whereas curved step edges on a rough surface can lead to the alignment of hBN along with different directions. This study shows that high-index surfaces with a large step density are robust for templating the epitaxial growth of 2D single crystals due to their large tolerance for surface roughness and provides a general guideline for the epitaxial growth of various 2D single crystals.     

Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments.     

Metabolic Glycoengineering in hMSC-TERT as a Model for Skeletal Precursors by Using Modified Azide/Alkyne Monosaccharides

Metabolic glycoengineering enables a directed modification of cell surfaces by introducing target molecules to surface proteins displaying new features. Biochemical pathways involving glycans differ in dependence on the cell type; therefore, this technique should be tailored for the best results. We characterized metabolic glycoengineering in telomerase-immortalized human mesenchymal stromal cells (hMSC-TERT) as a model for primary hMSC, to investigate its applicability in TERT-modified cell lines. The metabolic incorporation of N-azidoacetylmannosamine (Ac₄ManNAz) and N-alkyneacetylmannosamine (Ac₄ManNAl) into the glycocalyx as a first step in the glycoengineering process revealed no adverse effects on cell viability or gene expression, and the in vitro multipotency (osteogenic and adipogenic differentiation potential) was maintained under these adapted culture conditions. In the second step, glycoengineered cells were modified with fluorescent dyes using Cu-mediated click chemistry. In these analyses, the two mannose derivatives showed superior incorporation efficiencies compared to glucose and galactose isomers. In time-dependent experiments, the incorporation of Ac₄ManNAz was detectable for up to six days while Ac₄ManNAl-derived metabolites were absent after two days. Taken together, these findings demonstrate the successful metabolic glycoengineering of immortalized hMSC resulting in transient cell surface modifications, and thus present a useful model to address different scientific questions regarding glycosylation processes in skeletal precursors.     

木质纤维与水泥共同改良软土的力学性能与微观机制分析

通过压实试验、无侧限抗压强度试验和劈裂试验,分析不同木质纤维含量、水泥含量和固化时间对软土力学性能的影响规律,探讨木质纤维、水泥改良软土的微观机制。结果表明,木质纤维的加入对水泥改良软土的击实特性有显著的影响;木质纤维与水泥可有效改善土体的抗压和劈裂抗拉强度,随着木质纤维含量的增加,改良土的抗压和劈裂抗拉强度呈现出明显的“驼峰”现象,并在木质纤维含量为0.25%时最大;木质纤维与水化产物、软土颗粒形成互锁效应,增大了改良土的摩擦力,同时木质纤维还承担一定的拉伸强度,使改良土的劈裂强度增加。     

Effect of Newtonian heating/cooling on free convection in an annular permeable region in the presence of heat source/sink

The influence of Newtonian heating/cooling in the presence of heat source/sink has been investigated on laminar free convective flow in a vertical annular permeable region. The mathematical model for the problem has been considered as a boundary value problem consisting of two simultaneous ordinary differential equations. The boundary value problem has been transformed to nondimensional form. This has given rise to a number of parameters representing both geometrical and physical features of the problem. Closed‐form analytical solutions of the governing equations have been obtained for two different cases of internal heat generation/absorption. To assess the effects of governing parameters on the fluid velocity and temperature, a number of profiles of these field variables have been presented. The efficacy of the distinct processes on the field variables has been discussed extensively. The main outcome obtained in this study is that the velocity as well as temperature is enhanced in the case of the Newtonian heating while the opposite behavior occurs in the Newtonian cooling for both cases of source and sink. Furthermore, the influence of the governing parameters has been shown on the skin friction, volume flow rate, and the Nusselt number.     

Numerical simulation analysis and experimental validation on wear/fracture mechanisms of polycrystalline cubic boron nitride superabrasives in high-speed grinding

In this study, a two-dimensional finite element model is proposed to investigate the wear/fracture mechanisms of polycrystalline cubic boron nitride (PCBN) superabrasives in high-speed grinding process. The special geometric microstructures of PCBN grains are constructed by using the classic Voronoi tessellation technique, and cohesive elements are embedded into the geometric model of PCBN grains as the potential crack propagation paths for simulating the wear/fracture behaviours of PCBN grains under grinding loads. The effects of uncut chip thickness per grain (a_gmax) on the stress distribution characteristics and wear/fracture behaviours of PCBN grains during grinding are discussed in detail. Results show that the wear behaviour of PCBN grains during grinding mainly occurs around the grain vertex region; however, the fracture behaviour, leading to the quick failure of PCBN grains, is prone to appear around the grain–filler bonding interface, which is usually on the opposite side of the in-feed direction. Moreover, to separate the PCBN grains from the macro-fracture during grinding, the uncut chip thickness per grain should be kept smaller than 1.0?µm to prevent the unfavourable fracture behaviour from appearing around the grain–filler bonding interface. Furthermore, the corresponding single-grain grinding trials are performed to validate the numerical simulation results by evaluating the wear/fracture morphologies of the PCBN superabrasives in the actual grinding operation.     

道路用聚氨酯改性沥青的制备工艺探讨

结合不同改性剂掺量单因素试验,确定了采用88mm叶轮、115mm容器、圆盘锯齿式搅拌器(转速1400r/min)、175℃共混温度、改性剂掺量4.27%、单次搅拌300g的制备工艺参数。在此条件下制备的聚氨酯改性沥青具有优异的水稳定性、储存稳定性且耐老化、耐高温,拥有比普通聚合物改性沥青更高的车辙因子G*/sinδ和15℃动态模量,基本满足高模量沥青要求。     

基于改进LFM算法的主动解列断面搜索方法

针对传统解列断面算法复杂度高的问题,提出一种基于改进LFM算法的解列断面搜索方式。首先,基于节点间电气联系和能量转移分布熵完成电网加权复杂网络建模;其次,基于主动解列断面约束条件,对LFM算法做适应性改良;最后,通过改进LFM算法得到解列断面,并在IEEE39节点系统中验证了算法有效性。仿真结果表明,改进LFM算法可充分考虑传统解列断面的约束条件,在算法具有较低复杂度的同时对系统运行状态更强的适应性。     

一种5 重real-time PCR筛查转基因水稻方法的建立

以转基因水稻中最常用的CaMV35S启动子、NOS终止子、Cry1Ab/Ac基因、HPT基因及SPS水稻内标基因为研究对象，利用5 种不同的荧光信号（FAM、HEX、Taxas Red、Cy5、Cy5.5）进行多重实时聚合酶链式反应（real-time polymerase chain reaction，real-time PCR）检测方法的研究。通过引物组合筛选、反应体系优化、特异性测试、灵敏度测试、适用性测试等一系列实验，建立了5 重real-time PCR方法，灵敏度可达0.032%。此方法具有灵敏度高、结果准确、通量大等优点，可实现水稻中转基因成分的快速、高效检测。