Thermal properties of transition-metal dichalcogenide

Beyond graphene, the layered transition metal dichalcogenides(TMDs) have gained considerable attention due to their unique properties. Herein, we review the lattice dynamic and thermal properties of monolayer TMDs, including their phonon dispersion, relaxation time, mean free path(MFP), and thermal conductivities. In particular, the experimental and theoretical studies reveal that the TMDs have relatively low thermal conductivities due to the short phonon group velocity and MFP, which poses a significant challenge for efficient thermal management of TMDs-based devices. Importantly,recent studies have shown that this issue could be largely addressed by connecting TMDs and other materials(such as metal electrode and graphene) with chemical bonds, and a relatively high interfacial thermal conductance(ITC) could be achieved at the covalent bonded interface. The ITC of MoS_2/Au interface with chemical edge contact is more than 10 times higher than that with physical side contact. In this article, we review recent advances in the study of TMD-related ITC.The effects of temperature, interfacial vacancy, contact orientation, and phonon modes on the edge-contacted interface are briefly discussed.     

分形基底上刻蚀模型动力学标度行为的 数值模拟研究

为探讨分形基底结构对生长表面标度行为的影响, 本文采用Kinetic Monte Carlo(KMC)方法模拟了刻蚀模型(etching model)在谢尔宾斯基箭头和蟹状分形基底上刻蚀表面的动力学行为. 研究表明,在两种分形基底上的刻蚀模型都表现出很好的动力学标度行为, 并且满足Family-Vicsek标度规律. 虽然谢尔宾斯基箭头和蟹状分形基底的分形维数相同, 但模拟得到的标度指数却不同, 并且粗糙度指数 α与动力学指数z也不满足在欧几里得基底上成立的标度关系α+z=2. 由此可以看出, 标度指数不仅与基底的分形维数有关, 而且和分形基底的具体结构有关.     

汉中青少年头发5种元素分析

The Fivr elements in hair of 266 cases in healthy young boys and girls in local hanzhong, SHaanxi province were determined atomic absorption spectrophotometry. The results show that the content of five metal elements Cu、Zn、Fe、Ca、Mg in hair of the puberty females was significantly higher than those in the males It shows that five elements in hair have correlations to sowe degreel     

Surface structures of equilibrium restricted curvature model on two fractal substrates

With the aim to probe the effects of the microscopic details of fractal substrates on the scaling of discrete growth models, the surface structures of the equilibrium restricted curvature(ERC) model on Sierpinski arrowhead and crab substrates are analyzed by means of Monte Carlo simulations. These two fractal substrates have the same fractal dimension df, but possess different dynamic exponents of random walk zrw. The results show that the surface structure of the ERC model on fractal substrates are related to not only the fractal dimension df, but also to the microscopic structures of the substrates expressed by the dynamic exponent of random walk zrw. The ERC model growing on the two substrates follows the well-known Family–Vicsek scaling law and satisfies the scaling relations 2α + df≈ z ≈ 2zrw. In addition, the values of the scaling exponents are in good agreement with the analytical prediction of the fractional Mullins–Herring equation.     

分子动力学方法在研究材料力学行为中的应用进展

报道近年来分子动力学方法应用于研究位错、裂纹、晶界及其相互作用方面的进展．主要包括:裂纹尖端的位错发射,位错发射的不稳定堆垛能,晶体与裂纹’几何关系对位错发射的影响,温度对位错发射的影响以及由裂纹尖端发射的位错列与不对称倾侧晶界的相互作用．报道主要以我们的工作为主,重点讨论裂纹尖端位错发射的研究结果      

位移模式对Cross－PLY矩形板热弹性响应的影响

本文建立了以Ｒｅｉｓｓｎｅｒ混合变分原理为基础的迭层板剪切变形理论来求解Ｃｒｏｓｓ－ＰＬＹ矩形板的热弯曲问题，用二种方式来模拟平面位移沿厚度的变化：将一阶剪切变形理论的平面位移叠加一项交错线性函数；设平面住移是分段线性连续函数。为保证层间应力的连续性，将横向剪切应力处理成厚度坐标的二次函数，温度沿厚度线性变化。通过对称及反对称Ｃｒｏｓｓ－ＰＬＹ矩形板的热应力及挠度分析比较，指出了位移模式对热弹性响应的影响。     

考虑非Schmid效应的与率相关滑移规律

对韧性单晶体塑性变形的非Ｓｃｈｍｉｄ效应进行了分析和描述，提出了有效Ｓｃｈｍｉｄ应力的概念，从位错弹性理论出发，根据位错交滑移机制及位错核心结构变化的微观力学过程，估算了非Ｓｃｈｍｉｄ效应中的参数，结果发现这些参数相对各自应力分量并非常数，而大约成线性变化，正负应力分量对这些参数的影响是不同的。并把有效Ｓｃｈｍｉｄ应力的概念引入与率相关的晶体滑移规律中，使这一滑移规律能反映非Ｓｃｈｍｉｄ效应的影响。从而使晶体塑性理论在研究大变形非均塑性流动时也能反映这一影响。     

ZnMoO4/芦荟衍生多孔碳的化学共沉淀法制备及催化性能

通过两步活化和化学共沉淀法分别制备了芦荟衍生多孔碳(aloe-derived porous carbon,APC)、ZnMoO₄和ZnMoO₄/APC催化剂,并研究了3种催化剂作为染料敏化太阳能电池(dye-sensitized solar cells,DSSCs)对电极时在D35/Y123染料和Cu²⁺/Cu⁺体系中的电化学特性和光伏性能。通过场发射扫描电子显微镜(FESEM)、X射线光电子能谱(XPS)和N₂吸附-脱附测试表征了APC、ZnMoO₄和ZnMoO₄/APC的微观结构、化学成分、比表面积和孔结构。结果表明：APC为多孔网络结构,比表面积为1 439m²·g^-1,ZnMoO₄纳米颗粒均匀嵌入或分散在APC表面。ZnMoO₄/APC在D35或Y123染料和Cu²⁺/Cu⁺电解液的DSSC中,分...     

3,4-亚甲二氧基苯甲醛缩氨基硫脲与铜(Ⅱ)显色反应的研究和应用

本文合成了新显色剂——3,4-亚甲二氧基苯甲醛缩氨基硫脲(缩写PTSC)并研究了Cu(Ⅱ)-PTSC-乙醇显色体系的光度特性,确定了测定铜的最佳条件。应用于测定水、矿样,试剂中微量铜,结果满意。     

TiO2电子结构与其双折射性、各向异性 关联的理论研究

采用基于密度泛函理论的第一性原理平面波超软赝势方法对锐钛矿相TiO₂的晶体结构、能带结构、态密度等电子结构进行了理论分析, 在此基础上对介电函数、能量损失函数、光电导率等光学性质进行系统的理论计算, 分析了TiO₂双折射现象、各向异性与电子结构之间的关联, 其结果与文献报道的相关实验结果相符合, 从理论上探讨了TiO₂电子结构和其双折射现象、各向异性的特征.