Properties and use of TsAG zinc-based microcrystalline brazing alloy

Electron Technology Materials Research Institute, Kaluga. Translated from Metallovedenie i Termicheskaya Obrabotka Metallov, No. 9, pp. 28–30, September, 1992     

Orientation dependence of the heteroepitaxial growth of Ni films on Pd

Molecular-dynamics simulation based on many-particle potentials calculated in terms of the embedded-atom method was performed to study growth of Ni films on singular (001), (110), and (111) surfaces of a Pd single crystal at a temperature T = 1000 K. Upon the growth of a Ni film on (001)Pd and (110)Pd surfaces, there is formed a heterostructure consisting of a Pd substrate, a single-layer epitaxially stabilized solidsolution phase, and a film of an Ni-Pd solid solution. At the initial stages of the film growth, the lattice misfit is compensated via elastic deformation; with increasing average thickness of the film, there occurs a relaxation of the elastic deformation: in the (001)Pd-Ni heterosystem, via the formation of misfit dislocations; in the (110)Pd-Ni heterosystem, via misfit dislocations and point defects (in the [ $1\bar 10$ ] direction) as well as via partial dislocations (in the [001] direction). Upon the growth of an Ni film on the (111)Pd surface, no intermixing of the components occurs; already at the initial stages of growth, the islands (clusters) are not deformed; the matching at the interphase boundary is incoherent.     

Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems

The molecular dynamics method is used to provide fundamental insights into surface segregation, bulk diffusion and alloying reaction phenomena in equiatomic Ni-Al systems. This knowledge can serve as a guide for the search and development of economic routes for controlling microstructure and properties of the intermetallic compound NiAl. This paper gives an overview of recent molecular dynamics simulations in the area along with other theoretical calculations and experimental measurements.     

Waveguide Bandstop Filters Based on Microwave Photonic Crystals with Parameters Controlled by n–i–p–i–n Diodes

Journal of Communications Technology and Electronics - A feasible design of a system with an allowed band with near-unity frequency-independent transmission utilizing the reflective properties of...     

Cluster model of the structural organization of amorphous iron

Within the framework of the method of molecular dynamics and statistic geometrical analysis, laws governing the formation of the structure of a percolation cluster consisting of interpenetrating and mutually contacting icosahedra have been studied in the process of iron vitrification. The results of an analysis of the morphology of clusters consisting of only interpenetrating icosahedra and of the nature of their joining into a percolation cluster are presented.     

Bifunctional Inhibitors of Influenza Virus Neuraminidase: Molecular Design of a Sulfonamide Linker

The growing resistance of the influenza virus to widely used competitive neuraminidase inhibitors occupying the active site of the enzyme requires the development of bifunctional compounds that can simultaneously interact with other regulatory sites on the protein surface. When developing such an inhibitor and combining structural fragments that could be located in the sialic acid cavity of the active site and the adjacent 430-cavity, it is necessary to select a suitable linker not only for connecting the fragments, but also to ensure effective interactions with the unique arginine triad Arg118-Arg292-Arg371 of neuraminidase. Using molecular modeling, we have demonstrated the usefulness of the sulfonamide group in the linker design and the potential advantage of this functional group over other isosteric analogues.     

Structure change of the Cu64Zr36 metallic glass in the conditions of uniaxial deformation

It is shown on the basis of analysis of the Delaunay simplices of the atomic structure of the Cu₆₄Zr₃₆ metallic glass in the process of plastic deformation that the density distribution of the basic structure units of tetrahedrons and quartoctahedrons in the system is practically unchanging. The elementary acts of plastic deformation are reduced to restructuring of local atomic configurations of tetrahedrons into quartoctahedrons and, vice versa, quartoctahedrons into tetrahedrons, while preserving the quantitative relation between the structural units.