Reverse buoyancy in a vibrated granular bed: Computer simulations

We have performed molecular dynamics simulations of an intruder in a vibrated granular bed including interstitial fluid effects to account for the phenomenon of reverse buoyancy. We show that our model is able to reproduce the overall behaviour observed by previous experimental works and is the first finite-elements simulation to show the sinking of intruders lighter than the granular bed. To further advance our comprehension of this phenomenon, we studied the motion of the intruders in a single vibration cycle with respect to the bottom of the granular column, finding a substantial qualitative difference for heavy and light intruders and we compare these results with experiments using fine-sized glass beads. We show that, though heavy intruders seem unaffected by the force due to the fluid, the effect on light intruders is remarkable.      

Entanglement and Density Matrix of a Block of Spins in AKLT Model

We study a 1-dimensional AKLT spin chain, consisting of spins S in the bulk and S/2 at both ends. The unique ground state of this AKLT model is described by the Valence-Bond-Solid (VBS) state. We investigate the density matrix of a contiguous block of bulk spins in this ground state. It is shown that the density matrix is a projector onto a subspace of dimension . This subspace is described by non-zero eigenvalues and corresponding eigenvectors of the density matrix. We prove that for large block the von Neumann entropy coincides with Renyi entropy and is equal to . NSF Grant DMS-0503712.     

Thermodynamics based on the principle of least abbreviated action: Entropy production in a network of coupled oscillators

We present some novel thermodynamic ideas based on the Maupertuis principle. By considering Hamiltonians written in terms of appropriate action-angle variables we show that thermal states can be characterized by the action variables and by their evolution in time when the system is nonintegrable. We propose dynamical definitions for the equilibrium temperature and entropy as well as an expression for the nonequilibrium entropy valid for isolated systems with many degrees of freedom. This entropy is shown to increase in the relaxation to equilibrium of macroscopic systems with short-range interactions, which constitutes a dynamical justification of the Second Law of Thermodynamics. Several examples are worked out to show that this formalism yields the right microcanonical (equilibrium) quantities. The relevance of this approach to nonequilibrium situations is illustrated with an application to a network of coupled oscillators (Kuramoto model). We provide an expression for the entropy production in this system finding that its positive value is directly related to dissipation at the steady state in attaining order through synchronization.     

Laser induced mixing in multilayered Ti/Ta thin film structures

The possibility of interlayer mixing in a Ti/Ta multilayer system, induced by laser irradiation, was the main purpose of these experiments. Ti/Ta multilayer system, consisting of ten alternating Ti and Ta thin films and covered by slightly thicker Ti layer, was deposited on Si (100) wafers to a total thickness of 205 nm. Laser irradiation was performed in air by picoseconds Nd:YAG laser pulses in defocused regime with fluences of 0.057 and 0.11 J cm^?2. Laser beam was scanned over the 5?×?5 mm surface area with different steps along y-axes. Structural and compositional characterisation was done by auger electron spectroscopy, X-ray photoelectron spectroscopy, atomic force microscopy, and scanning electron microscopy. Laser processing at lower fluence caused only oxidation of the top Ti layer, despite of the number of applied laser pulses. Interlayer mixing was not observed. Application of laser pulses at fluence of 0.11 J cm^?2 caused partial and/or complete ablation of deposited layers. In partially ablated regions considerable mixing between Ti and Ta films was registered.     

Pulling-induced rupture of ligand-receptor bonds between a spherically shaped bionanoparticle and the support

Contacts of biological or biologically-inspired spherically shaped nanoparticles (e.g., virions or lipid nanoparticles used for intracellular RNA delivery) with a lipid membrane of cells are often mediated by multiple relatively weak ligand-receptor bonds. Such contacts can be studied at a supported lipid bilayer. The rupture of bonds can be scrutinized by using force spectroscopy. Bearing a supported lipid bilayer in mind, the author shows analytically that the corresponding dependence of the force on the nanoparticle displacement and the effect of the force on the bond-rupture activation energy are qualitatively different compared to what is predicted by the conventional Bell approximation.     

Bright‐Dark Rogue Waves

During the last two decades, revealing mechanisms of origin waves with anomalous amplitude (rogue waves) have been in the focus of researchers from different fields ranging from oceanography to laser physics. Mode‐locked lasers, as a test bed system, provide a unique opportunity to collect more data on rogue waves in the form of random pulses (soliton rain) and to clarify the mechanisms of rogue‐wave emergence caused by soliton–soliton and soliton–dispersive wave interactions. Here, for the first time, for an Er‐doped mode‐locked laser, a new type of vector rogue waves is demonstrated experimentally and theoretically, which is driven by desynchronization of the orthogonal linear states of polarization, so leading to output power oscillations in the form of anomalous spikes‐dips (bright‐dark rogue waves). The results can pave the way to unlocking the universal nature of the origin of rogue waves and thus can be of interest to the broad scientific community.     

A model of nanosecond laser ablation of compound semiconductors accounting for non-congruent vaporization

We report a model of nanosecond laser ablation of compound semiconductors taking into account stoichiometry loss as a result of different volatilities of the material components. The model is based on the heat-flow equation for the bulk material and the diffusion equation for its atomic constituents and takes into account variations of material properties as functions of temperature and composition. Changing the optical response which results from stoichiometry violation is described within the concept of an effective medium and a multi-layer reflection model is applied. For cadmium telluride, as an example, the processes of ablation, melting, and resolidification under the action of a KrF laser have been studied in dynamics for particular experimental conditions in a wide range of laser fluences from the ablation threshold to the plasma shielding regimes described by the effective plasma plume representation. Multi-shot irradiation regimes have been investigated and the mechanism of the irradiation-controlled stoichiometry reversal has been elucidated.     

Diversity oriented heterocyclizations of pyruvic acids,aldehydes and 5-amino-<Emphasis Type=Italic>N</Emphasis>-aryl-1<Emphasis Type=Italic>H</Emphasis>-pyrazole-4-carboxamides: catalytic and temperature control of chemoselectivity

Heterocyclization reactions of pyruvic acids, aromatic aldehydes and 5-amino-N-aryl-1H-pyrazole-4-carboxamides yielding four different types of final compounds are described. The reactions involving arylidenpyruvic acids lead with high degree of selectivity to either 4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acids or 5-[(2-oxo-2,5-dihydrofuran-3-yl)amino]-1H-pyrazoles, depending on the catalyst type or temperature regime. The interactions based on arylpyruvic acids can take place under kinetic or thermodynamic control producing 7-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-7-carboxylic acids or 3-hydroxy-1-(1H-pyrazol-5-yl)-1,5-dihydro-2H-pyrrol-2-ones, respectively.     

Inequalities for Purity Parameters of Multiqudit and Single-Qudit States

We analyze the recently found inequality for eigenvalues of the density matrix and purity parameters describing either a bipartite-system state or a single-qudit state. We rewrite the Minkowski-type trace inequality for the density matrices of the qudit states in terms of the purity parameters and discuss the properties of the inequality obtained, paying special attention to the X-states of two qubits and a single qudit. Also we study the relation of the purity inequalities obtained with the entanglement.