An algebraic procedure of getting of canonical variables in a rigid body dynamics is presented. The method is based on using a structure of an algebra of Lie—Poisson brackets with which a Hamiltonian dynamics is set. In a particular case of a problem of a top in a homogeneous gravitation field the method leads to well–known Andoyer—Deprit variables. Earlier, the method of getting of them was ba...

Computational methods can play a significant role in characterization of the carbon-based nanocomposites by providing simulation results. In this paper, we prepared a brief review of the mechanical properties of carbon nanotubes (CNTs), Graphene, and coiled carbon nanotube (CCNTs) reinforced nanocomposites. Varies simulation studies in mechanical properties of nanocomposites including represent...

Abstract Disordered solids are ubiquitous in engineering and everyday use. Although research has made considerable progress the last decades, our understanding of mechanics these materials is, at best, an embryonic state. Since nature disorder complicates realization physically meaningful continuum-mechanical models, particle-based molecular descriptions provide a powerful alternative. This pap...

A robust approach for dealing with electrostatic interactions for spherical boundary conditions has been implemented in the QM/MM framework. The development was based on the generalized solvent boundary potential (GSBP) method proposed by Im et al. [J. Chem. Phys. 114, 2924 (2001)], and the specific implementation was applied to the self-consistent-charge density-functional tight-binding approa...

Preservation of coherence is a fundamental yet subtle phenomenon in open systems. We uncover its relation to symmetries respected by the system Hamiltonian and coupling environment. discriminate between local global classes decoherence-free subspaces for many-body systems through introduction "ghost variables". The latter are orthogonal symmetry environment does not depend on them. Constructing...