Related papers: Deforming Diamond
The fact that a disordered material is not constrained in its properties in the same way as a crystal presents significant and yet largely untapped potential for novel material design. However, unlike their crystalline counterparts,…
In this review, we present our recent computational work on carbon-based nanostructured composites. These materials consist of carbon crystallites embedded in an amorphous carbon matrix and are modeled here through classical and…
A combined experimental and numerical study on the variation of the elastic properties of defective single-crystal diamond is presented for the first time, by comparing nano-indentation measurements on MeV-ion-implanted samples with…
I review some recent results on hadronic decays of charmed mesons. These decays illuminate a wide range of physics, including the absolute normalizations of b and c decays, the understanding of D^0 mixing, the coupling of heavy mesons to…
Based on crystal engineering and density functional theory DFT calculations a transformational pathway is proposed from qtz (quartz-based) topology characterized by distorted tetrahedra to dia (diamond-like) regular tetrahedra topology. The…
Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical…
In this paper, we show that first-principle calculations using a van der Waals density functional (vdW-DF), [Phys. Rev. Lett. $\mathbf{92}$, 246401 (2004)] permits determination of molecular crystal structure. We study the crystal…
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…
Recently, we pointed out that on a class on non exactly decimable fractals two different parameters are required to describe diffusive and vibrational dynamics. This phenomenon we call dynamical dimension splitting is related to the lack of…
Off-lattice Grand Canonical Monte Carlo simulations of the clean diamond (111) surface, based on the effective many-body Brenner potential, yield the $(2\times1)$ Pandey reconstruction in agreement with \emph{ab-initio} calculations and…
Systems in which particles can self-assemble into mono- or bilayers can form variety of stable and metastable structures on a nanometer length scale. For this reason confinement has a particularly strong effect on such systems. We discuss…
Periodically structured materials can sustain both optical and mechanical excitations which are tailored by the geometry. Here we analyze the properties of dispersively coupled planar photonic and phononic crystals: optomechanical crystals.…
The study of charmless hadronic two-body decays of B mesons is one of the most fascinating topics in B physics. A construction of the unitarity triangle based on such decays is presented, which is independent of B-B(bar) and K-K(bar)…
In this study, the structural, electronic and vibrational properties of thinnest possible Cadmium crystal are investigated by performing first-principle calculations. Total energy optimization and dynamic stability calculations reveal that…
The interplay between order and geometry in soft condensed matter systems is an active field with many striking results and even more open problems. Ordered structures on curved surfaces appear in multi-electron helium bubbles, viral and…
Crystal chemistry of M(BH4)n, where M is a 2nd-4th period element, is reviewed. It is shown that except certain cases, the BH4 group has a nearly ideal tetrahedral geometry. Corrections of the experimentally determined H-positions,…
Diamond holds significant promise for a wide range of applications due to its exceptional physicochemical properties. Investigating the controlled diamond preparation from nanocarbon precursors with varying dimensions is crucial to optimize…
Understanding and mastering the mechanical properties of metallic nanoparticles is crucial for their use in a wide range of applications. In this context, we use atomic-scale (Molecular Dynamics) and continuous (Finite Elements)…
The effect of external static charging on borophenes - 2D boron crystals - is investigated by using first principles calculations. The influence of the excess negative charge on the stability of the 2D structures is examined using a very…
Infra-red maps and profiles with high spatial resolution were obtained for two single crystal diamonds with pronounced CO2 IR absorption peaks. Detailed examination allows unambiguous assignment of the spectral features to solid CO2-I…