The behaviour of damage tolerant hat-stiffened composite panels loaded in uniaxial compression

Damage tolerant hat-stiffened thin-skinned composite panels with and without a centrally located circular cutout, under uniaxial compression loading, were investigated experimentally and analytically. These panels incorporated a highly postbuckling design characterised by two integral stiffeners separated by a large skin bay with a high width to skin-thickness ratio. In both configurations, the skin initially buckled into three half-wavelengths and underwent two mode-shape changes; the first a gradual mode change characterised by a central deformation with double curvature and the second a dynamic snap to five half-wavelengths. The use of standard path-following non-linear finite element analysis did not consistently capture the dynamic mode change and an approximate solution for the prediction of mode-changes using a Marguerre-type Rayleigh-Ritz energy method is presented. Shortcomings with both methods of analysis are discussed and improvements suggested. The panels failed catastrophically and their strength was limited by the local buckling strength of the hat stiffeners. (C) 2001 Elsevier Science Ltd. All rights reserved.

Buckling mode transition in hat-stiffened composite panels loaded in uniaxial compression

A combined experimental and analytical study of a hat-stiffened carbon-fibre composite panel loaded in uniaxial compression was investigated. A buckling mode transition was observed in the panel's skin bay which was not captured using non-linear finite-element analysis. Good correlation between experimental and numerical strain and displacement results was achieved in the prebuckling and initial postbuckling region of the loading history. A Marguerre-type Rayleigh-Ritz energy method was applied to the skin bay using representative displacement functions of permissible mode shapes to explain the mode transition phenomenon. The central criterion of this method was based on the assumption that a change in mode shape occurred such that the total potential energy of the structure was maintained at a minimum. The ultimate strength of the panel was limited by the column buckling strength of the hat-stiffeners.

High energy resolution fluorescence detection XANES - an in situ method to study the interaction of adsorbed molecules with metal catalysts in the liquid phase

The change in the Pt electronic structure following the adsorption of an a,ß-unsaturated aldehyde and ketone was followed by in situ HERFD-XANES in the liquid phase. The resulting shift in the Pt Fermi energy is in good agreement with the molecule adsorption energy trends calculated by DFT and provides insight into the reaction selectivity.

Implementing a structural continuity constraint and a halting method for the topology optimization of energy absorbers

This study investigates topology optimization of energy absorbing structures in which material damage is accounted for in the optimization process. The optimization objective is to design the lightest structures that are able to absorb the required mechanical energy. A structural continuity constraint check is introduced that is able to detect when no feasible load path remains in the finite element model, usually as a result of large scale fracture. This assures that designs do not fail when loaded under the conditions prescribed in the design requirements. This continuity constraint check is automated and requires no intervention from the analyst once the optimization process is initiated. Consequently, the optimization algorithm proceeds towards evolving an energy absorbing structure with the minimum structural mass that is not susceptible to global structural failure. A method is also introduced to determine when the optimization process should halt. The method identifies when the optimization method has plateaued and is no longer likely to provide improved designs if continued for further iterations. This provides the designer with a rational method to determine the necessary time to run the optimization and avoid wasting computational resources on unnecessary iterations. A case study is presented to demonstrate the use of this method.

An energy based force prediction method for UD-CFRP orthogonal machining

The machining of carbon fiber reinforced polymer (CFRP) composite presents a significant challenge to the industry, and a better understanding of machining mechanism is the essential fundament to enhance the machining quality. In this study, a new energy based analytical method was developed to predict the cutting forces in orthogonal machining of unidirectional CFRP with fiber orientations ranging from 0° to 75°. The subsurface damage in cutting was also considered. Thus, the total specific energy for cutting has been estimated along with the energy consumed for forming new surfaces, friction, fracture in chip formation and subsurface debonding. Experiments were conducted to verify the validity of the proposed model.

SrTiO3(001)(2x1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

(1x1) and (2x1) reconstructions of the (001) SrTiO3 surface were studied using the first-principles full-potential linear muffin-tin orbital method. Surface energies were calculated as a function of TiO2 chemical potential, oxygen partial pressure and temperature. The (1x1) unreconstructed surfaces were found to be energetically stable for many of the conditions considered. Under conditions of very low oxygen partial pressure the (2x1) Ti2O3 reconstruction [Martin R. Castell, Surf. Sci. 505, 1 (2002)] is stable. The question as to why STM images of the (1x1) surfaces have not been obtained was addressed by calculating charge densities for each surface. These suggest that the (2x1) reconstructions would be easier to image than the (1x1) surfaces. The possibility that the presence of oxygen vacancies would destabilise the (1x1) surfaces was also investigated. If the (1x1) surfaces are unstable then there exists the further possibility that the (2x1) DL-TiO2 reconstruction [Natasha Erdman Nature (London) 419, 55 (2002)] is stable in a TiO2-rich environment and for p(O2)>10(-18) atm.

Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia

The electron energy-loss near-edge structure (ELNES) at the O K edge has been studied in yttria-stabilized zirconia (YSZ). The electronic structure of YSZ for compositions between 3 and 15 mol % Y2O3 has been computed using a pseudopotential-based technique to calculate the local relaxations near the O vacancies. The results showed phase transition from the tetragonal to cubic YSZ at 10 mol % of Y2O3, reproducing experimental observations. Using the relaxed defect geometry, calculation of the ELNES was carried out using the full-potential linear muffin-tin orbital method. The results show very good agreement with the experimental O K-edge signal, demonstrating the power of using ELNES to probe the stabilization mechanism in doped metal oxides.

Effect of relaxation on the oxygen K-edge electron energy-loss near-edge structure in yttria-stabilized zirconia

The electron energy-loss near-edge structure (ELNES) at the oxygen K-edge has been investigated in a range of yttria-stabilized zirconia (YSZ) materials. The electronic structure of the three polymorphs of pure ZrO2 and of the doped YSZ structure close to the 33 mol %Y2O3 composition have been calculated using a full-potential linear muffin-tin orbital method (NFP-LMTO) as well as a pseudopotential based technique. Calculations of the ELNES dipole transition matrix elements in the framework of the NFP-LMTO scheme and inclusion of core hole screening within Slater's transition state theory enable the ELNES to be computed. Good agreement between the experimental and calculated ELNES is obtained for pure monoclinic ZrO2. The agreement is less good with the ideal tetragonal and cubic structures. This is because the inclusion of defects is essential in the calculation of the YSZ ELNES. If the model used contains ordered defects such as vacancies and metal Y planes, agreement between the calculated and experimental O K-edges is significantly improved. The calculations show how the five different O environments of Zr,Y,O, are connected with the features observed in the experimental spectra and demonstrate clearly the power of using ELNES to probe the stabilization mechanism in doped metal oxides.

Energy levels and transition probabilities for nitrogen-like Fe xx

Energies of the 700 lowest levels in Fe XX have been obtained using the multiconfiguration Dirac-Fock method. Configuration interaction method on the basis set of transformed radial orbitals with variable parameters taking into account relativistic corrections in the Breit-Pauli approximation was used to crosscheck our presented results. Transition probabilities, oscillator and line strengths are presented for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these levels. The total radiative transition probabilities from each level are also provided. Results are compared with data compiled by NIST and with other theoretical work.

A dielectric continuum molecular dynamics method

We introduce a novel method to simulate hydrated macromolecules with a dielectric continuum representation of the surrounding solvent. In our approach, the interaction between the solvent and the molecular degrees of freedom is described by means of a polarization density free energy functional which is minimum at electrostatic equilibrium. After a pseudospectral expansion of the polarization and a discretization of the functional, we construct the equations of motion for the system based on a Car-Parrinello technique. In the limit of the adiabatic evolution of the polarization field variables, our method provides the solution of the dielectric continuum problem "on the fly," while the molecular coordinates are propagated. In this first study, we show how our dielectric continuum molecular dynamics method can be successfully applied to hydrated biomolecules, with low cost compared to free energy simulations with explicit solvent. To our knowledge, this is the first time that stable and conservative molecular dynamic simulations of solutes can be performed for a dielectric continuum model of the solvent. (C) 2001 American Institute of Physics.

Ultrafast laser-driven microlens to focus and energy-select mega-electron volt protons

We present a technique for simultaneous focusing and energy selection of high-current, mega-electron volt proton beams With the use of radial, transient electric fields (107 to 1010 volts per meter) triggered on the inner walls of a hollow microcylinder by an intense subpicosecond laser pulse. Because of the transient nature of the focusing fields, the proposed method allows selection of a desired range out of the spectrum of the polyenergetic proton beam. This technique addresses current drawbacks of laser-accelerated proton beams, such as their broad spectrum and divergence at the source.