Molecular dynamics study of cluster structure and rotational wave properties in solid-state nanostructures

Molecular dynamics simulation was performed to study the formation of cluster structure, interfaces, and surfaces with different curvature radii in a perfect nanocrystal passed through by a nonlinear wave. It is shown that this process is a type of nanostructure self-organization in response to an external energy flux with subsequent development of a strong rotational field.     

Differential Graded Bocses and A ∞ $A_{\infty }$ -Modules

Algebras and Representation Theory - We introduce and study the category of twisted modules over a triangular differential graded bocs. We show that in this category idempotents split, that it...     

Step cost functions in a fleet size and mix vehicle routing problem with time windows

Annals of Operations Research - The vehicle routing problem is a traditional combinatorial problem with practical relevance for a wide range of industries. In the literature, several specificities...     

Mesoscopic Strain Fields Measurement During the Allotropic α − γ Transformation in High Purity Iron

The allotropic phase change from ferrite to austenite represents a moment of massive interplay between the microstructural and mechanical states of iron. The difference of compacity between the two phases induces a microplastic accommodation in the material at grain scale. However, mechanical heterogeneities resulting from the transformation process remain challenging to characterise due to the high temperature conditions it is associated with. We developed experimental equipment for in situ observation of α ? γ and γ ? α transformations. Images of the surface of an iron sample taken by an optical camera were used as input for a Digital Image Correlation (DIC) routine. Special care was taken to maximize image resolution to capture sub-grain phenomena. Observations show that, at the mesoscopic scale, shear strain fields exhibit strong localisations that are evidence of transformations that are occurring.

     

Structural verification of a tetrahydrotetrazole compound

Tetrahydrotetrazoles are five‐membered‐ring heterocycles containing four contiguous saturated nitrogen atoms. Very few examples of such compounds have been reported in the literature. Our previous attempt at the synthesis of a member of this class of compound suggested that the N—N bonds may be more labile than expected. This finding raised the question as to whether the structures of any of the previously reported tetrahydrotetrazoles had been properly assigned. We have reproduced the synthesis of a reported tetrahydrotetrazole, namely 1,2‐di‐tert‐butyl 3‐phenyl‐1H,2H,3H,10bH‐[1,2,3,4]tetrazolo[5,1‐a]isoquinoline‐1,2‐dicarboxylate, C₂₅H₃₀N₄O₄, and have now confidently confirmed its structure via X‐ray crystallography. However, while sufficiently stable in the crystal phase, we discovered that it remains very labile in solution (having a half‐life of only 15 min at 20 °C in CDCl₃). A tentative reaction pathway for its dissociation based on ¹H NMR spectral evidence is provided.     

Structure of Zinc Nanotubes

Crystallography Reports - The formation of Zn-based nanotubes by electrochemical synthesis in pores of template polymer matrices is considered. It is established that the number of defects in the...     

Experimental comparison of nonlinear damping performance of toroidal and conventional tuned liquid column dampers

Nonlinear Dynamics - Conventional tuned liquid column dampers (TLCDs) are deficient in multidirectionality. In contrast, toroidal TLCDs are designed to extend the application to multidirectional...     

Formation and Characterization of Concentration Inhomogeneities in Melt-Grown Crystals

Crystallography Reports - The specific features of the formation of concentration inhomogeneities in crystals grown by the Czochralski method (GaSb:Te, Ge:Ga) and by the Bridgman method...     

蛋白质-多糖复合体系在活性物质传递中的应用

蛋白质-多糖复合体系作为生物活性物质传递系统的壁材,有着人工合成聚合物或无机物等其他材料不可比拟的多重优势。本文就蛋白质和多糖之间的连接方式及蛋白质-多糖复合体系形成传递系统的多种形式进行了综述,以及对此领域的发展趋势进行了展望。结合蛋白质和多糖的结构特点,二者之间的链接方式分为非共价结合的物理共聚,和共价结合的美拉德偶联、化学交联、酶催化交联等方式,文中分别对各种连接方式的原理和机理,以及其影响因素做了深入阐述。以蛋白质-多糖复合体系为壁材对活性物质的传递形式大体上分成乳化系统、胶束、纳米凝胶、分子复合物以及壳核结构等系统。不同的活性物质的特征和传递需求,可针对性地选择合适结构的蛋白质和多糖种类以及二者的连接方式和传递系统的形式。并且,随着研究的逐步发展和推进,此领域的发展趋势朝着智能化和靶向性的方向进行。目前活性物质的蛋白质-多糖复合体系的传递系统,还依然面临着系统设计、评价和应用等多方面的挑战,这就要求我们在更全面更深入了解认识其对活性物质影响和功效的基础上,安全合理地设计和深入细致地评价活性成分的传递系统。     

Application of TiO2-nanotubes/PbO2 as an anode for the electrochemical elimination of Acid Red 1 dye

Journal of Solid State Electrochemistry - In this study, galvanostatic electrolysis, through the use of the platinum supported on Ti (Ti/Pt) and Ti/TiO2-nanotubes/PbO2 anodes, was conducted in an...