arXiv subjects

Mykola Isaiev

Publications and source records attributed to Mykola Isaiev.

21 records · Page 2Linked to original sources

arXiv2017

Gibbs adsorption impact on a nanodroplet shape: modification of Young-Laplace equation

An efficient technique for the evaluation of the Gibbs adsorption of a liquid on a solid substrate is presented. The behavior of a water nanodroplet on a silicon surface is simulated with molecular dynamics. An external field with varying strength is applied on the system to tune the solid-liquid interfacial contact area. A linear dependence of droplet's volume on the contact area is observed. Our modified Young--Laplace equation is used to explain the influence of the Gibbs adsorption on the nanodroplet volume contraction. Fitting of the molecular dynamics results with these of an analytical approach allows us to evaluate the number of atoms per unit area adsorbed on the substrate, which quantifies the Gibbs adsorption. Thus, a threshold of a droplet size is obtained, for which the impact of the adsorption is crucial. Moreover, the presented results can be applied for the evaluation of the adsorption impact on the physical--chemical properties of systems with important surface-to-volume fraction.

cond-mat.soft↗

arXiv2017

Impact of Screw and Edge Dislocation on the Thermal Conductivity of Nanowires and Bulk GaN

We report on thermal transport properties of wurtzite GaN in the presence of dislocations, by using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration were analyzed and found to reduce considerably the thermal conductivity while impacting its temperature dependence in a different manner. We demonstrate that isolated screw dislocations reduce the thermal conductivity by a factor of two, while the influence of edge dislocations is less pronounced. The relative reduction of thermal conductivity is correlated with the strain energy of each of the five studied types of dislocations and the nature of the bonds around the dislocation core. The temperature dependence of the thermal conductivity follows a physical law described by a T$^{-1}$ variation in combination with an exponent factor which depends on the material's nature, the type and the structural characteristics of the dislocation's core. Furthermore, the impact of the dislocations density on the thermal conductivity of bulk GaN is examined. The variation and even the absolute values of the total thermal conductivity as a function of the dislocation density is similar for both types of dislocations. The thermal conductivity tensors along the parallel and perpendicular directions to the dislocation lines are analyzed. The discrepancy of the anisotropy of the thermal conductivity grows in increasing the density of dislocations and it is more pronounced for the systems with edge dislocations.

cond-mat.mtrl-sci↗

arXiv2017

Anisotropic heat conduction in silicon nanowire network revealed by Raman scattering

Anisotropic nanomaterials possess interesting thermal transport properties because they allow orientation of heat fluxes along preferential directions due to a high ratio (up to three orders of magnitude) between their in-plane and cross-plane thermal conductivities. Among different techniques allowing thermal conductivity evaluation, micro-Raman scattering is known to be one of the most efficient contactless measurement approaches. In this letter, a new experimental approach based on Raman scattering measurements with variable laser spot sizes is reported. Correlation between experimental and calculated thermal resistances of one-dimensional nanocrystalline solids allows simultaneous estimation of their in-plane and cross-plane thermal conductivities. In particular, our measurement approach is illustrated to be successfully applied for anisotropic thermal conductivity evaluation of silicon nanowire arrays.

cond-mat.mtrl-sci↗