PAH emissions from an African cookstove

Combustion of wood and other biomass is a significant contributor to poor air quality in many developing countries. Emissions of particulates and Polycyclic Aromatic Hydrocarbons (PAH) are a major health hazard, particularly in Africa where the use of domestic cookstoves has increased alongside population expansion. Because of economic factors firewood is commonly used in place of the more expensive charcoal; particularly in rural areas. This work conducts a study of PAH emissions from an African cookstove comparing the combustion of both charcoal and firewood. It is demonstrated that PAH and particulate emissions are much higher from the firewood compared to the charcoal. The difference in levels can be interpreted due to the importance of the pyrolysis reactions of the volatile components of wood in PAH formation, whereas these volatiles emissions are much smaller from charcoal. Analysis of the combustion phases (flaming, smouldering) is undertaken and a computer model has been developed to link the composition of the fuels to the emissions of the PAH and particulates. The modelled PAH levels are shown to follow a similar trend to the experimental results.     

Comparison of different failure criteria for fiber-reinforced plastics in terms of fracture curves for arbitrary stress combinations

For fiber-reinforced plastics exists a big number of different criteria for the failure prediction. The intention of this paper is to compare the TSAI-HIL-, the LaRC04- and PUCK’s criterion in terms of their fracture curves for a unidirectional glass-fiber reinforced composite layer. Therefore after the implementation of these three criteria, the two-dimensional fracture curves for all possible stress combinations, which can be derived from a general spatial stress tensor, are computed. In this way, the characteristics of the criteria, similarities and differences and possible weak points become obvious.     

The Flexible Rare Event Sampling Harness System (FRESHS)

We present the software package FRESHS (http://www.freshs.org) for parallel simulation of rare events using sampling techniques from the ‘splitting’ family of methods. Initially, Forward Flux Sampling (FFS) and Stochastic Process Rare Event Sampling (SPRES) have been implemented. These two methods together make rare event sampling available for both quasi-static and full non-equilibrium regimes. Our framework provides a plugin system for software implementing the underlying physics of the system of interest. At present, example plugins exist for our framework to steer the popular MD packages GROMACS, LAMMPS and ESPResSo, but due to the simple interface of our plugin system, it is also easy to attach other simulation software or self-written code. Use of our framework does not require recompilation of the simulation program. The modular structure allows the flexible implementation of further sampling methods or physics engines and creates a basis for objective comparison of different sampling algorithms.     

Thermal fluid multiphysics optimization of spherical tokamak centerpost

An experimental Fusion Nuclear Science Facility (FNSF) is required that will create the environment that simultaneously achieves high energy neutrons and high ion fluence necessary in order to bridge the gaps from ITER to the realization of a fusion nuclear power plant. One concept for achieving this is a high duty cycle spherical torus. This study will focus on thermal modeling of the spherical torus centerpost using computational fluid dynamics to effectively model the thermal transfer of the cooling fluid to the centerpost. The design of the fluid channels is optimized in order to minimize the temperature in the centerpost. Results indicate the feasibility of water cooling for a long-pulse spherical torus FNSF.     

Microstructure of the HMX‐Based PBX KS32 after Mechanical Loading

Non‐destructive X‐ray diffraction techniques were applied in order to monitor the influence of mechanical and shock‐loading on the microstructure of the plastic‐bonded high explosive KS32. The investigations uncovered damage to embedded coarse HMX crystals and to the binder system HTPB‐IPDI. Damage to the crystals occurred already during the kneading process in terms of deformation twinning. On higher loading between 400 MPa (static) and 480 MPa (dynamic) also crystal fracture was observed. The change in the binder structure was found after both static and dynamic loading, but not in the cured, differently kneaded samples. Moreover, the change in binder structure after dynamic loading was verified by dynamic mechanical analysis, and interpreted as a partial damage of the binder rubber shell around the explosive particles. The results are compared to literature data from imaging techniques.     

Charaterization of UHMWPE fiber/matrix adhesion by dynamic mechanical spectrometry

The tensile and dynamic mechanical properties of polystyrene and a poly(styrene-co-buty1 acrylate-co-cyclohexy1 methacrylate) statistical terpolymer (terpolymer) reinforced by randomly oriented, discontinuous ultra-high molecular weight polyethylene (UHMWPE) fibers are presented in terms of the fiber/matrix interfacial properties. Using a thermomechanical block model based on the parallel rule of mixtures, the adhesion characteristics of poly(butyl acrylate) (PBA) and poly(cyclohexyl methacrylate) (PCHM) grafted, plasma treated, and untreated fibers were determined. The model successfully predicts the tan δ response of the composites including peak height variations and the development of additional loss dispersions associated with the interphase. Moreover, the model yields a fiber reinforcement efficiency factor, K, which gives a quantitative measure of adhesion. The contact angle of PBA and PCHM grafted high density polyethylene (HDPE) films are also included and are compared to the contact angle of plasma treated fibers. The results indicate that PBA and PCHM grafts enhance adhesion through polymer graft/matrix interactions, not simply by improved wetting.     

Synthesis of magnetic nanocomposite microparticles for binding of chlorinated organics in contaminated water sources

In this work, the development of novel magnetic nanocomposite microparticles (MNMs) via free radical polymerization for their application in the remediation of contaminated water is presented. Acrylated plant-based polyphenols, curcumin multiacrylate (CMA) and quercetin multiacrylate (QMA), were incorporated as functional monomers to create high affinity binding sites for the capture of polychlorinated biphenyls (PCBs), as a model pollutant. The MNMs were characterized by Fourier transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy, dynamic light scattering, and UV–visible spectroscopy. The affinity of these novel materials for PCB 126 was evaluated and fitted to the nonlinear Langmuir model to determine binding affinities (K_D). The results suggest the presence of the polyphenolic moieties enhances the binding affinity for PCB 126, with K_D values comparable to that of antibodies. This demonstrates that these nanocomposite materials have promising potential as environmental remediation adsorbents for harmful contaminants.