Meshless simulation of equilibrium swelling/deswelling of pH‐sensitive hydrogels

Hydrogels have been widely used in microelectromechanical systems (MEMS) and Bio‐MEMS devices. In this article, the equilibrium swelling/deswelling of the pH‐stimulus cylindrical hydrogel in the microchannel is studied and simulated by the meshless method. The multi‐field coupling model, called multi‐effect‐coupling pH‐stimulus (MECpH) model, is presented and used to describe the chemical field, electric field, and the mechanical field involved in the problem. The partial differential equations (PDEs) describing these three fields are either nonlinear or coupled together. This multi‐field coupling and high nonlinear characteristics produce difficulties for the conventional numerical methods (e.g., the finite element method or the finite difference method), so an alternative—meshless method is developed to discretize the PDEs, and the efficient iteration technique is adopted to solve the nonlinear problem. The computational results for the swelling/deswelling diameter of the hydrogel under the different pH values are firstly compared with experimental results, and they have a good agreement. The influences of other parameters on the mechanical properties of the hydrogel are also investigated in detail. It is shown that the multi‐field coupling model and the developed meshless method are efficient, stable, and accurate for simulation of the properties of the stimuli‐sensitive hydrogel. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 326–337, 2006     

Theoretical and computational studies of vectorial processes in biomolecular systems

Efficient vectorial processes such as the transduction of bioenergy and signals are characteristics that strikingly distinguish living systems from inanimate materials. Recent developments in biophysical and biochemical techniques have provided new information about the structure, dynamics and interaction of biomolecules involved in vectorial life processes at multiple length and temporal scales. This wealth of data makes it possible to carry out theoretical and computational studied of key mechanistic questions associated with complex life processes at an unprecedented level. Using two “vectorial biomolecular machines”, myosin and cytochrome c oxidase, as examples, we discuss the identification of interesting and biologically relevant questions that require thorough theoretical analysis. Technical challenges and recent progress related to these theoretical investigations are briefly summarized     

Double neutron/proton ratio of nucleon emissions in isotopic reaction systems as a robust probe of nuclear symmetry energy

The double neutron/proton ratio of nucleon emissions taken from two reaction systems using four isotopes of the same element, namely, the neutron/proton ratio in the neutron-rich system over that in the more symmetric system, has the advantage of reducing systematically the influence of the Coulomb force and the normally poor efficiencies of detecting low energy neutrons. The double ratio thus suffers less systematic errors. Within the IBUU04 transport model the double neutron/proton ratio is shown to have about the same sensitivity to the density dependence of nuclear symmetry energy as the single neutron/proton ratio in the neutron-rich system involved. The double neutron/proton ratio is therefore more useful for further constraining the symmetry energy of neutron-rich matter.     

Finite-element calculation of the influence of interdiffusion on eigenstates in a GaAs/Al x Ga1-x As single-quantum-well structure

The influence of interdiffusion on eigenstates in an interdiffusion-induced GaAs/Al_xGa_1-xAs single-quantum-well structure is analysed numerically by the finite element method. In this approach, the confinement potential profile of the interdiffused quantum well structure is nonlinear and is modelled by an error function and, in particular, the nature of the effective mass of an electron is considered. The results show that the number of eigenstates and energy levels varies with the extent of the interdiffusion. Numerical results for the quasi-bound states in the quantum well structure with an applied electric field are also presented.     

Direct ion beam deposition of polymeric styrene films and in situ characterization by electron spectroscopy

Polymeric styrene films with thicknesses ranging from about one nm up to a few m have been deposited by means of a direct ion beam deposition (IBD) technique. The deposition energy, which can be chosen independently of the parameters which govern the plasma conditions, has been varied between few eV and 1000 eV. The correlation between the deposition parameters and the resulting film properties in terms of the electronic structure is discussed. The in situ characterization by electron spectroscopy has proved to be a very useful characterization method and ultraviolet photoelectron spectroscopy in particular revealed an extremely high sensitivity to structural differences in the deposited films. The polymeric films have also been characterized by scanning electron microscopy and optical spectroscopy. These techniques have also served to compare films prepared by the direct IBD technique with films obtained by standard rf plasma polymerization (RFPP) in a tubular reactor. Significant differences have been found which are dependent on the deposition parameters; these are discussed in detail.Department of Chemical Engineering, Beijing Institute of Technology, P.O. Box 327 Beijing, 100081 Beijing, P.R. China