The minimum norm method for the determination of the charge density from elastic electron scattering data

Unphysical behavior in the QR algorithm based least squares determination of the expansion coefficients of the charge density obtained from limited information about the charge form factor occurs when the spread of the singular values in the matrix relating these quantities becomes too large. Setting the smallest singular values equal to zero in the singular value decomposition used in the minimum norm method yields a much more reasonable determination of the charge density. Increasing the size of the basis without increasing the range of the prior information about the charge form factor leads to ambiguities in the determination of the charge density. Numerical results in an analytic model are presented.     

Hard nanocomposite comprising stereoregular syndiotactic polypropylene with chemically bonded gold nanoparticles

An effective method to synthesize directly a hard composite material containing uniformly dispersed nanogold particles chemically bonded with a stereospecific, crystalline polymer matrix has been developed. Syndiotactic polypropylene was synthesized and functionalized to have a hydroxyl terminal group (sPP_OH) via a metallocene catalysis with a selective chain transfer. Next, sPP_OH was activated to react with ethylene sulfide forming the thiol‐terminated polymer, sPP_SH. sPP_SH was then chemically bonded to gold nanoparticles (AuNPs) formed in situ via a reduction of HAuCl₄. The bonding between thiol and AuNP stabilized the AuNPs and led to the formation of sPP_AuNPs composite containing uniformly‐dispersed AuNPs of a 19–40 nm size without noticeable aggregation. Furthermore, the chemical bonding of AuNPs has afforded sPP_AuNPs a thermal degradation temperature (T_D) 49.4 °C higher than the pristine sPP or sPP_OH and 25.7 °C higher than sPP_SH without any adverse effect on the crystalline temperature and melting temperature. In addition, the characteristic UV‐Vis absorption wavelength of sPP_AuNPs remains the same at various temperatures, thus indicating the independence of optical property on temperature as well as the good thermal stability of the sPP_AuNPs composite. ¹H NMR, ¹³C NMR, FESEM, STEM, XPS, TGA and DSC were used to investigate the molecular structure, morphology and thermal properties of the resulting sPP_AuNPs nanocomposite. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010     

Exchange bias dependence on interface spin alignment in a Ni80Fe20/(Ni,Fe)O thin film

A Ni80Fe20/(Ni,Fe)O thin film exhibits a positive exchange bias when cooled in a zero field and a negative exchange bias when field cooled. With transmission electron microscopy and electron energy loss spectrometry, the composition and magnetic structure has been ascertained and a distribution of magnetization easy axes about the interface extrapolated. The results indicate that the positive exchange bias is from antiferromagnetic interface moments perpendicular to their ferromagnetic counterparts. With field cooling the alignment is put into a parallel configuration resulting in a negative exchange bias.     

Friction and forced convective heat transfer in a sintered porous channel with obstacle blocks

This work experimentally studies the flow characteristics and forced convective heat transfer in a sintered porous channel that filled with sintered copper beads of three average diameters ( 0.830, and 1.163 mm). The pressure drop and the local temperature measurements can be applied to figure out the distributions of the friction coefficient and the heat transfer coefficient. Three sintered porous channels differ in the arrangement of obstacle blocks. Model A has no obstacle. Models B and C have five obstacle blocks facing down and up, respectively, in a sintered porous channel. The range of experimental parameters, porosity, heat flux, and effect of forced convection are 0.370 ≤ ɛ ≤ 0.385, q=0.228, 0.872, 1.862 W/cm², and 200 ≤ Re _d ≤ 800. The permeability and inertia coefficient of each of the three sintered porous channels are analyzed. The results for Model A agree with those obtained by previous investigations in C _f distribution. The heat transfer of Model C exceeds that of Model A by approximately 20%. Finally, a series of empirical correlation equations were obtained for practical applications and engineering problems.     

Aryne‐Induced Novel Tandem 1,2‐Addition/(3+2) Cycloaddition to Generate Imidazolidines and Pyrrolidines

A new “single‐flask” method was developed for the synthesis of imidazolidines and pyrrolidines with high stereoselectivity. First, a Schiff base was arylated with an aryne. Second, an intramolecular proton transfer took place from the methylene position to the anionic aryne ring. Third, the resultant ylide reacted with a second equivalent of the same Schiff base in situ or an electron‐deficient alkene through a (3+2) cycloaddition. These sequential tandem 1,2‐addition/(3+2) cycloaddition reactions led to the desired heterocycles in 63–88 % yields.     

Stochastic finite element analysis of non-linear plane trusses

—This study considers the responses of geometrically and materially non-linear plane trusses under random excitations. The stress-strain law in the inelastic range is based on an explicit differential equation model. After a total Lagrangian finite element discretization, the nodal displacements satisfy a system of stochastic non-linear ordinary differential equations with right-hand-sides given by random functions of time. The exact solution of the above stochastic differential equation is generally difficult to obtain. To seek an approximate solution with good accuracy and reasonable computational effort, the stochastic linearization method is used to find the first and second statistical moments (i.e. the mean vector and the one-time covariance matrix) of the nodal displacements. Results of simple structures under Gaussian white-noise excitation indicate that the proposed method has good accuracy (generally underestimates the r.m.s. stationary response by 5–14%) and requires only a small fraction of the computation time of the time-history Monte-Carlo method.     

Structural investigation of high‐transmittance aluminum oxynitride films deposited by ion beam sputtering

Aluminum oxynitride films were deposited by ion beam sputtering technique at room temperature. The optical properties and morphologies of the aluminum oxynitride films were studied and reported previously. It was found that the optical properties are closely related to the O contents in the films. In this study, the structures of the films were investigated by X‐ray diffractometer and XPS. Three oxidation states of N_1s in oxynitride films, N⁺, N²⁺ and N³⁺, were clearly deduced from N_1s spectra in the amorphous films fabricated under various oxygen partial pressures (P_O2). To our knowledge, three oxidation states of N_1s have not been simultaneously observed and reported in the aluminum oxynitride films previously. Corresponding bonding variations in Al_2p and O_1s spectra indicated more oxygen in oxynitride in the film as P_O2 increases. Three aluminum oxynitride networks, AlO₂N, AlO_2.5N and AlO₃N were deduced. Optical properties of aluminum oxynitride films resemble those of AlN and Al₂O₃ films when P_O2 is low and high during the deposition. The refractive indices and extinction coefficients of the aluminum oxynitride films can be adjusted by using proper P_O2 during the film depositions. Copyright © 2010 John Wiley & Sons, Ltd.     

Study on tribological behaviors of short glass fiber and polytetrafluoroethylene reinforced polycarbonate composites via a d‐optimal mixture design

This study analyzed variations of tribological behaviors that depend on the injection molding techniques during the blending of short glass fiber (SGF) and polytetrafluoroethylene (PTFE) reinforced polycarbonate (PC) composites. The proposed planning of blending experiments is to use a D‐optimal mixture design (DMD). The tribological behaviors of friction coefficient and wear mass loss were selected for discussion. Nine experimental runs, based on a DMD method, utilized to train the back‐propagation neural network (BPNN) and then the simulated annealing algorithm (SAA) approach is applied to search for an optimal mixture ratio setting. In addition, the result of BPNN integrating SAA was also compared with response surface methodology (RSM) approach. The results of confirmation experiment show that DMD, RSM, and BPNN integrating SAA method are effective tools for the optimization of reinforced process. Furthermore, the scanning electron microscope (SEM) images show that the abundant debris are peeled off from the matrix materials and predominant delamination mechanisms and plastic deformation are shown on the worn surface after tribological behavior tests. Copyright © 2010 John Wiley & Sons, Ltd.