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Relative importance of grain boundaries and size effects in thermal conductivity of nanocrystalline materials
A theoretical model for describing effective thermal conductivity of nanocrystalline materials has been proposed, and it has been demonstrated that with increasing grain size, both GBs and size effects become weaker, while size effect effects become stronger on thermal Conductivity than GBs effects.
Bandstructures of conical quantum dots with wetting layers
The influence of wetting-layer states on quantum-dot states and vice versa is analysed numerically for electrons in the conduction band in the general case with arbitrary kinetic energy in the plane…
Coarse-graining RNA nanostructures for molecular dynamics simulations.
The three-beads-per-nucleotide models, described by a set of just a few universal parameters, are able to describe different RNA conformations and are comparable in structural precision to the models where detailed values of the backbone P-C4' dihedrals taken from a reference structure are included.
First-principles studies of Al–Ni intermetallic compounds
Model-based analysis and simulation of airflow control systems of ventilation units in building environments
Generalised solutions, discrete models and energy estimates for a 2D problem of coupled field theory
- R. Melnik
- MathematicsAppl. Math. Comput.
Computationally efficient algorithms for modelling thermal degradation and spiking phenomena in polymeric materials
- R. Melnik
- EngineeringComput. Chem. Eng.
- 15 October 2003
The Stability Condition and Energy Estimate for Nonstationary Problems of Coupled Electroelasticity
- R. Melnik
- 1 June 1997
In this article, a coupled problem of dynamic electroelasticity is investigated using the variational approach and the concept of generalized solutions. The author derives a numerical procedure…
Temperature dependent elastic constants and ultimate strength of graphene and graphyne.
- T. Shao, B. Wen, R. Melnik, S. Yao, Y. Kawazoe, Yongjun Tian
- Materials ScienceThe Journal of chemical physics
- 5 February 2012
Based on the analysis of temperature dependent lattice geometries, thermal expansion coefficients, elastic constants, and ultimate strength of graphene and graphyne, it is found that graphene's mechanical properties have strong resistance against temperature increase up to 1000 K.