Ab initio diffusional potential energy surface for CO chemisorption on Pd{110} at high coverage:Coupled translation and rotation

The ground state potential energy surface for CO chemisorption across Pd{110} has been calculated using density functional theory with gradient corrections at monolayer coverage. The most stable site corresponds well with the experimental adsorption heat, and it is found that the strength of binding to sites is in the following order: pseudo-short-bridge>atop>long-bridge>hollow. Pathways and transition states for CO surface diffusion, involving a correlation between translation and orientation, are proposed and discussed. (C) 1997 American Institute of Physics.

Microstructure and Mechanical Propertiesof a Nitride-Strengthened Reduced ActivationFerritic/Martensitic Steel

Nitride-strengthened reduced activation ferritic/martensitic (RAFM) steels are developed taking advantage of the high thermal stability of nitrides. In the current study, the microstructure and mechanical properties of a nitride-strengthened RAFM steel with improved composition were investigated. Fully martensitic microstructure with fine nitrides dispersion was achieved in the steel. In all, 1.4 pct Mn is sufficient to suppress delta ferrite and assure the steel of the full martensitic microstructure. Compared to Eurofer97, the steel showed similar strength at room temperature but higher strength at 873 K (600 °C). The steel exhibited very high impact toughness and a low ductile-to-brittle transition temperature (DBTT) of 243 K (–30 °C), which could be further reduced by purification.

Microstructural evolution and mechanical properties of short-term thermally exposed 9/12Cr heat-resistant steels

The microstructural evolution during short-term (up to 3000 hours) thermal exposure of three 9/12Cr heat-resistant steels was studied, as well as the mechanical properties after exposure. The tempered martensitic lath structure, as well as the precipitation of carbide and MX type carbonitrides in the steel matrix, was stable after 3000 hours of exposure at 873 K (600 °C). A microstructure observation showed that during the short-term thermal exposure process, the change of mechanical properties was caused mainly by the formation and growth of Laves-phase precipitates in the steels. On thermal exposure, with an increase of cobalt and tungsten contents, cobalt could promote the segregation of tungsten along the martensite lath to form Laves phase, and a large size and high density of Laves-phase precipitates along the grain boundaries could lead to the brittle intergranular fracture of the steels.

Structure, mechanical, and electrical properties of high-density polyethylene/multi-walled carbon nanotube composites processed by compression molding and blown film extrusion

The structure and properties of melt mixed high-density polyethylene/multi-walled carbon nanotube (HDPE/MWCNT) composites processed by compression molding and blown film extrusion were investigated to assess the influence of processing route on properties. The addition of MWCNTs leads to a more elastic response during deformations that result in a more uniform thick-ness distribution in the blown films. Blown film composites exhibit better mechanical properties due to the enhanced orientation and disentanglement of MWCNTs. At a blow up ratio (BUR) of 3 the breaking strength and elongation in the machine direction of the film with 4 wt % MWCNTs are 239% and 1054% higher than those of compression molded (CM) samples. Resistivity of the composite films increases significantly with increasing BURs due to the destruction of conductive pathways. These pathways can be recovered partially using an appropriate annealing process. At 8 wt % MWCNTs, there is a sufficient density of nanotubes to maintain a robust network even at high BURs.

Effect of cooling rate on the properties of high density polyethylene/multi-walled carbon nanotube composites

High density polyethylene (HDPE)/multi-walled carbon nanotube (MWCNT) nanocomposites were prepared by melt mixing using twin-screw extrusion. The extruded pellets were compression moulded at 200°C for 5min followed by cooling at different cooling rates (20°C/min and 300°C/min respectively) to produce sheets for characterization. Scanning electron microscopy (SEM) shows that the MWCNTs are uniformly dispersed in the HDPE. At 4 wt% addition of MWCNTs composite modulus increased by over 110% compared with the unfilled HDPE (regardless of the cooling rate). The yield strength of both unfilled and filled HDPE decreased after rapid cooling by about 10% due to a lower crystallinity and imperfect crystallites. The electrical percolation threshold of composites, irrespective of the cooling rate, is between a MWCNT concentration of 1∼2 wt%. Interestingly, the electrical resistivity of the rapidly cooled composite with 2 wt% MWCNTs is lower than that of the slowly cooled composites with the same MWCNT loading. This may be due to the lower crystallinity and smaller crystallites facilitating the formation of conductive pathways. This result may have significant implications for both process control and the tailoring of electrical conductivity in the manufacture of conductive HDPE/MWCNT nanocomposites.

Effect of high temperature, biaxial stretching on the thermal and mechanical properties of HDPE/MWCNT sheet

High density polyethylene (HDPE)/multi-walled carbon nanotube (MWCNT) composites containing 4 wt% MWCNTs were prepared by melt mixing followed by compression moulding into sheet. Compression moulded sheets were heated to just below the melting temperature and biaxially stretched at ratios (SRs) of 2, 2.5 and 3.0. The effect of stretching on the thermal and mechanical properties of the sheet was studied by differential scanning calorimetry (DSC) and tensile testing. DSC results show that the crystallinity of all the stretched samples increases by approximately 13% due to strain induced crystallization. The melting temperature of the biaxially stretched samples increases only slightly while crystallization temperature is not affected. Tensile test results indicate that at a SR of 2.5 the elastic modulus of the stretched composites increases by 17.6% relative to the virgin HDPE, but the breaking strength decreases by 33%. While the elastic modulus and breaking strength of the HDPE/MWCNT samples continue to increase as SR increases they drop off after a SR of 2.5 for the virgin HDPE. This is probably due to the constraining influence of the nanotubes preventing the relaxation of polymer chains caused by adiabatic heating at high SRs. The addition of MWCNTs results in significant strain hardening during deformation. While this will lead to increased energy requirement in forming it will also result in a more stable process and the ability to produce deep draw containers with more uniform wall thickness

Effects of unconfined concrete strength on FRP confinement of concrete

Research has shown that fibre reinforced polymer (FRP) wraps are effective for strengthening concrete columns for increased axial and flexural load and deformation capacity, and this technique is now used around the world. The experimental study presented in this paper is focused on the mechanics of FRP confined concrete, with a particular emphasis on the influence of the unconfined concrete compressive strength on confinement effectiveness and hoop strain efficiency. An experimental programme was undertaken to study the compressive strength and stress-strain behaviour of unconfined and FRP confined concrete cylinders of different concrete strength but otherwise similar mix designs, aggregates, and constituents. This was accomplished by varying only the water-to-cement ratio during concrete mixing operations. Through the use of high-resolution digital image correlation to measure both axial and hoop strains, the observations yield insights into the mechanics of FRP confinement of concretes of similar composition but with varying unconfined concrete compressive strength.

Predicting impact damage, residual strength and crashworthiness of composite structures

The development of the latest generation of wide-body carbon-fibre composite passenger aircraft has heralded a new era in the utilisation of these materials. The premise of superior specific strength and stiffness, corrosion and fatigue resistance, is tempered by high development costs, slow production rates and lengthy and expensive certification programmes. Substantial effort is currently being directed towards the development of new modelling and simulation tools, at all levels of the development cycle, to mitigate these shortcomings. One of the primary challenges is to reduce the extent of physical testing, in the certification process, by adopting a ‘certification by simulation’ approach. In essence, this aspirational objective requires the ability to reliably predict the evolution and progression of damage in composites. The aerospace industry has been at the forefront of developing advanced composites modelling tools. As the automotive industry transitions towards the increased use of composites in mass-produced vehicles, similar challenges in the modelling of composites will need to be addressed, particularly in the reliable prediction of crashworthiness. While thermoset composites have dominated the aerospace industry, thermoplastics composites are likely to emerge as the preferred solution for meeting the high-volume production demands of passenger road vehicles. This keynote presentation will outline recent progress and current challenges in the development of finite-element-based predictive modelling tools for capturing impact damage, residual strength and energy absorption capacity of thermoset and thermoplastic composites for crashworthiness assessments.