Non-linear dynamics of a mechanical system with a frictional unilateral constraint

We analyze the dynamics of a two-dimensional system constituted by two masses subjected to elastic, gravitational and viscous forces and constrained by a moving frictional mono-lateral surface. The model exhibits a time-varying dynamics capable of reproducing the hopping phenomenon, an unwanted phenomenon observed in many applications such as the motion of a robotic arm on a surface or that of a wiper on a windscreen. The system dynamics, besides being affected by geometrical non-linearities, has a non-smooth nature due to the impact and friction laws involved in the model. The complexity of the resulting equations and of the transition conditions require the problem to be solved numerically. Various periodic motions are found and the effect of varying the system parameters, in particular the friction coefficient, is investigated. Finally, simulations are used to gain some insight the behavior of the windscreen wiper.     

(K)-nucleus dynamics: from quasibound states to kaon condensation

Coupled-channel (K)N dynamics near threshold and its repercussions in few-body (K)-nuclear systems are briefly reviewed, highlighting studies of a K-pp quasibound state. In heavier nuclei, the extension of mean-field calculations to multi-(K) nuclear and hypernuclear quasibound states is discussed. It is concluded that strangeness in finite self-bound systems is realized through hyperons, with no room for kaon condensation.     

UV Photodissociation Dynamics of Nitric Acid： The Hydroxyl Elimination Channel

Sliced velocity mapping ion imaging technique was employed to investigate the dynamics of the hydroxyl elimination channel in the photodissociaiton of nitric acid in the ultraviolet region. The OH product was detected by （2＋1） resonance enhanced multiphoton ionization via the D^2∑^- electronic state. The total kinetic energy spectra of the OH＋NO2 channel from the photolysis of HONO2 show that both ：NO2（X2A1） and NO2（A2B2） channels are present, suggesting that both 1^1A″ and 2^1A″ excited electronic states of HONO2 are involved in the excitation. The parallel angular distributions suggest that the dissociation of the nitric acid is a fast process in comparison with the rotational period of the HNO3 molecule. The anisotropy parameter β for the hydroxyl elimination channel is found to be dependent on the OH product rotational state as well as the photolysis energy.     

Prediction of polyimide materials with high glass‐transition temperatures

The prediction of chemical structures that possess higher glass‐transition temperatures (T_g's) is crucial for designing polyimides. Because of a lack of suitable parameters, several estimation methods cannot be used for this purpose. In this study, therefore, we used molecular dynamic simulation with the DREIDING II force field to predict T_g's for polyimides. Simulated results indicated a good agreement with experimental observations. A barrier analysis of the bridging bonds between moieties along the main‐chain backbone showed a correlation between T_g and the barrier height. This proved to be helpful in a preliminary selection before the molecular dynamic simulation for accelerating the process of research and development on new polyimides. © 2001 John Wiley & Sons, Inc. J Polym Sci Part B: Polym Phys 39: 2243–2251, 2001     

Magnetization dynamics in thin films and multilayers

The behavior of spin waves is influenced by essentially all the parameters which characterize a magnetic material – exchange interactions, anisotropy, surface effects, dipolar interactions, phase transitions and imperfections. Thus measurements of spin wave frequencies can give important information on characterizing different magnetic materials and structures. In this paper we outline the major results and calculational methods for long-wavelength spin waves in thin films and multilayers. While the primary attention is on ferromagnet-based structures, long-wavelength spin waves in antiferromagnets are also discussed. We indicate how particular measurements of spin wave frequencies can be used to extract the fundamental parameters of the different structures.     

On hydraulic permeability of random packs of monodisperse spheres: Direct flow simulations versus correlations

Hydraulic permeability is studied in porous media consisting of randomly distributed monodisperse spheres by means of computational fluid dynamics (CFD) simulations. The packing of spheres is generated by inserting a certain number of nonoverlapping spherical particles inside a cubic box at both low and high packing fractions using proper algorithms. Fluid flow simulations are performed within the interparticulate porous space by solving Navier-Stokes equations in a low-Reynolds laminar flow regime. The hydraulic permeability is calculated from the Darcy equation once the mean values of velocity and pressure gradient are calculated across the particle packing. The simulation results for the pressure drop across the packing are verified by the Ergun equation for the lower range of porosities (<0.75), and the Stokes equation for higher porosities (∼1). Using the results of simulations, the effects of porosity and particle diameters on the hydraulic permeability are investigated. Simulations precisely specified the range of applicability of empirical or semi-empirical correlations for hydraulic permeability, namely the Carman-Kozeny, Rumpf-Gupte, and Howells-Hinch formulas. The number of spheres in the model is gradually decreased from 2000 to 20 to discover the finite-size effect of pores on the hydraulic permeability of spherical packing, which has not been clearly addressed in the literature. In addition, the scale dependence of hydraulic permeability is studied via simulations of the packing of spheres shrunk to lower scales. The results of this work not only reveal the validity range of the aforementioned correlations, but also show the finite-size effect of pores and the scale-independence of direct CFD simulations for hydraulic permeability.     

First-principles molecular dynamics simulations of the structure of germanium dioxide under pressures

We have carried out first-principles molecular dynamics simulations of glass and liquid germanium dioxide (GeO₂) over a wide range of pressure. Our results show that in the glass GeO₂ system nearly all Ge–O coordination environments are fourfold at low compression, whereas at high compression five- and sixfold coordination types coexist. In the liquid GeO₂ system although most Ge–O coordination environments are fourfold, some threefold coordination types exist at low compression. Pentahedral units also exist in the liquid state while less than that in the glass state. At high compression, pentahedral units disappear and GeO₆ octahedron is dominant in the liquid state going with some sevenfold coordination.     

Symmetrization of the nonlinear system of gas dynamics equations

We describe a method for representing the nonlinear system of gas dynamics equations in quasilinear form with symmetric coefficient matrices and, moreover, with a positive definite matrix at the time derivative.     

Pressure‐induced polymerization of tetraethylene glycol dimethacrylate

The polymerization and crosslinking of tetraethylene glycol dimethacrylate were induced by high pressure. The product was analyzed by both swelling experiments and broadband dielectric spectroscopy to determine the structure, with IR measurements used to follow the extent of reaction and its temperature dependence. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 3795–3801, 2008