Results 1 - 10 of 17873
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[en] In this paper within the frameworks of the synergetic approach the review of dynamical transformations in the material defects atmosphere of atomic technique during synthesis and exploitation process is given
[en] We describe the development of a density-dependent transferable coarse-grain model of crystalline hexahydro-1,3,5-trinitro-s-triazine (RDX) that can be used with the energy conserving dissipative particle dynamics method. The model is an extension of a recently reported one-site model of RDX that was developed by using a force-matching method. The density-dependent forces in that original model are provided through an interpolation scheme that poorly conserves energy. The development of the new model presented in this work first involved a multi-objective procedure to improve the structural and thermodynamic properties of the previous model, followed by the inclusion of the density dependency via a conservative form of the force field that conserves energy. The new model accurately predicts the density, structure, pressure-volume isotherm, bulk modulus, and elastic constants of the RDX crystal at ambient pressure and exhibits transferability to a liquid phase at melt conditions.
[en] Over the past few years, many researchers have been excited with the advent of two-dimensional (2D) materials such as graphene and molybdenum disulfide (MoS2) because of their intriguing physical and chemical properties. Furthermore, they have great potential in various applications including nanoelectronics, flexible or stretchable devices, energy conversion or storage devices, sensors, nanocomposites, and others. In addition to their electrical, mechanical, optical, and thermal properties, interfacial properties of 2D materials such as adhesion energy have recently attracted attention from researchers since interfacial interactions of 2D materials with others are of great importance in obtaining mechanical integrity of nanomanufacturing processes and related devices. In this respect, this paper reviews the adhesion properties of 2D materials. Measurement methods and characteristics of adhesion behaviors were summarized and discussed mainly for graphene and MoS2. (paper)
[en] For binary liquid aluminium alloys at infinite dilution, it is demonstrated that there exists a certain correlation between the partial enthalpies of mixing, ΔH-bario, and the partial excess entropies of mixing, ΔS-bario,ex. This correlation is resulted from the fact that both ΔH-bario and ΔSio,ex have similar contribution terms which are related with atomic interaction. With very few exceptions, the ΔH-bario values are in accordance with the values calculated on the basis of the Miedema model. Furthermore, the ΔH-bario values are observed to systematically depend on the atomic number. With the help of the Samsonov's cosideration, this systematic dependence can be explained with the electronic structure of the elements. (Author)