Related papers: Behavior of Bucky Ball under extreme Internal and …
We study the behaviour of the C60 molecule under very high internal or external pressure using Tersoff as well as Brenner potentials. As a result, we estimate the critical internal and external pressures that lead to its instability. We…
Abstract. Energetic materials, such as explosives, propellants and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special group because of high density of energetic covalent bonds. The…
We investigate the dimerization and fusion of C60 molecules to form various C60 dimers when pushed against each other at several inter-molecular distances. We study the stability of this dimerized C60 molecule based on its binding strength…
In this article we address the problem of Euler's buckling instability in a charged semi-flexible polymer that is under the action of a compressive force. We consider this instability as a phase transition and investigate the role of…
The effect of high pressure on structural and electronic properties of the novel superconductor \MB has been calculated using the full-potential linearized augmented-plane-wave method. Despite the layered crystal structure of \MB nearly…
The linear compressibilities and the thermal expansion of an untwinned, nearly optimal doped YBa2Cu3O6.94 single crystal were measured along the three crystallographic axes with a high-resolution dilatometer mounted in a high-pressure cell.…
The results on the lattice instability, invoked by applying a negative pressure on pure C60 solid, are described. The results of such a calculation are used to correlate the experimentally achieved results on the superconducting transition…
We study intact and bulging Escherichia coli cells using atomic force microscopy to separate the contributions of the cell wall and turgor pressure to the overall cell stiffness. We find strong evidence of power-law stress-stiffening in the…
Molecular dynamics simulations are performed to investigate the buckling of single-layer MoS2 under uniaxial compression. The strain rate is found to play an important role on the critical buckling strain, where higher strain rate leads to…
A thin-walled tube, e.g., a drinking straw, manifests an instability when bent by localizing the curvature change in a small region. This instability has been extensively studied since the seminal work of Brazier nearly a century ago.…
The scaling behavior of the so-called boson peak in glass-formers and its relation to the elastic properties of the system remains a source of controversy. Here, the boson peak in a binary reactive mixture is measured by Raman scattering…
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here we study the mechanical properties of 3C-SiC over a wide…
Pressurised cylindrical channels made of soft materials are ubiquitous in biological systems, soft robotics, and metamaterial designs. In this paper, we study large deformation of a long, thick-walled, and compressible hyperelastic…
A simple model based on atom-atom potential has been used to calculate various bulk, structural and thermodynamic properties of pure C_{60} solid by including implicit anharmonicity. The pressure and temperature dependent properties such as…
With increasing interest in the use of glassy carbon (GC) for a wide variety of application areas, the need for developing fundamental understanding of its mechanical properties has come to the forefront. Further, recent theoretical and…
The objective of the present paper is to investigate the mechanical properties of carbon nanotubes. We use classical molecular dynamics simulation in order to study the effect of external compression, bending and torsion to nanotubes. We…
Motivated by recent experiments showing the buckling of microtubules in cells, we study theoretically the mechanical response of, and force propagation along elastic filaments embedded in a non-linear elastic medium. We find that, although…
Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a metastable B6C with R-3m symmetry is found to be…
The intrinsic uncertainty of fluid properties, including the equation of state, viscosity, and thermal conductivity, on boundary layer stability has scarcely been addressed. When a fluid is operating in the vicinity of the Widom line…
The equations of state at room temperature as well as the energies of crystal structures up to pressures exceeding 100 GPa are calculated for Na and K . It is shown that the allowance for generalized gradient corrections (GGA) in the…