Heat propagation in thermally conductive polymers of PA6 and hexagonal boron nitride

Thermally conductive polymers offer new possibilities for the heat dissipation in electric and electronic components, for example, by a three‐dimensional shaping of the heat sinks. To face safety regulations, improved fire performance of those components is required. In contrast to unfilled polymers, those materials exhibit an entirely different thermal behavior. To investigate the flammability, a phosphorus flame retardant was incorporated into thermally conductive composites of polyamide 6 and hexagonal boron nitride. The flame retardant decreased the thermal conductivity only slightly. However, the burning behavior changed significantly, due to a different heat propagation, which was investigated using a thermographic camera. An optimum content of hexagonal boron nitride for a sufficient thermal conductivity and fire performance was found between 20 and 30 vol%. The improvement of the fire performance was due to a faster heat release out of the pyrolysis zone and an earlier decomposition of the flame retardant. For higher contents of hexagonal boron nitride, the heat was spread faster within the part, promoting an earlier ignition and increasing the decomposition rate of the flame retardant.     

Evaluation of dynamic modulus measurement for C/C-SiC composites at different temperatures

The determination of elastic properties at application temperature is fundamental for the design of fibre reinforced ceramic composite components. An attractive method to characterize the flexural modulus at room and high temperature under specific atmosphere is the nondestructive Resonant Frequency Damping Analysis (RFDA). The objective of this paper was to evaluate and validate the modulus measurement via RFDA for orthotropic C/C-SiC composites at the application temperature. At room temperature flexural moduli of C/C-SiC with 0/90° reinforcement were measured under quasi-static 4-point bending loads and compared with dynamic moduli measured via RFDA longitudinally to fibre direction. The dynamic modulus of C/C-SiC was then measured via RFDA up to 1250°C under flowing inert gas and showed an increase with temperature which fitted with literature values. The measured fundamental frequencies were finally compared to those resulting from numerical modal analyses. Dynamic and quasi-static flexural moduli are comparable and the numerical analyses proved that bending modes are correctly modeled by means of dynamic modulus measured via RFDA. The nondestructive RFDA as well as the numerical modeling approach are suitable for evaluation of C/C-SiC and may be transferred to other fibre reinforced ceramic composite materials.     

Polymer derived ceramic materials from Si,B and MoSiB filler-loaded perhydropolysilazane precursor for oxidation protection

Silica-based coating systems were developed using polymer derived ceramics (PDCs) technology. Ceramic composites on the base of a SiO₂ and SiNO matrix and homogeneously distributed Mo₅SiB₂, SiB₆, Si and B fillers were manufactured. The coating systems have low porosity and provide a high oxidation resistance up to 100 h at 800 °C and 1100 °C in air. The influence of temperature and atmosphere of pyrolysis on the polymer precursor, the volume fraction of filler materials on the chemical composition of compacts as well as their high-temperature oxidation protection was investigated.     

MgAl2O4-Spinel Synthesized by High-Energy Ball Milling and Reaction Sintering

A new way to prepare magnesia-alumina-spinel was investigated making use of a mixed powder system of MgO and metallic Al-3 wt% Mg. Intensive ball milling was applied which provides the formation of new powder particles as composite of both components in intimate contact. The new configuration of the particles had a significant impact on the reaction sintering behavior leading to single phase spinel microstructures at moderate temperatures below 1400°C. Optimized milling of the powder mixture was therefore required providing reduced crystallite sizes and strongly enlarged interfacial area shared by the reacting components. The optimal milling time was identified by the complete reaction of the starting powders to spinel during sintering. Shorter milling times led to incomplete reactions and longer milling times contaminated the milling product by debris from the milling tools. The amount of interfaces generated by the intimate mixing dominated the sintering reaction kinetics whereas the specific surfaces area was of secondary importance.     

Prediction of plastic surface defects for 5-axis ball end milling of Ti-6Al-4 V with rounded cutting edges using a material removal simulation

The resulting surface quality after 5-axis ball end milling is of superior importance because finish milling is often the last process step determining the functional performance of a component. However, the prediction of surface topography is still a challenging task. Especially in ball end milling with the characteristic sickle shaped chip cross section, ploughing effects in the area of low chip thickness result in plastic deformation and surface defects (also known as burr). This paper provides a new approach to predict those surface defects by considering the minimum chip thickness for complex milling engagement conditions within a virtual process design. This allows the choice of suitable process parameters without extensive experimental efforts.     

Surface characterization by X-ray photoelectron spectroscopy and cyclic voltammetry of products formed during the potentiostatic reduction of chalcopyrite

Surface characterization of the transient products that precede chalcocite formation during chalcopyrite reduction was carried out. The experimental strategy employed in the present work consisted of the application of different potential pulses (fixed energetic conditions) on the surface of chalcopyrite electrodes in 1.7 M H₂SO₄. The chemical products formed at different potential pulses were characterized by cyclic voltammetry (CV) and XPS. Each electrogenerated species presented a specific voltammetric behavior and an XPS spectrum, in which the values of principal photoelectronic peak bond energies for Cu 2p_3/2, Fe 2p_3/2 and S 2p_3/2 and the atomic concentrations were considered. Several potential intervals could be identified: in 0.115 ≥ E_cat ≥ −0.085 V vs. SHE, an intermediate copper sulfide is formed whose composition is between those of chalcopyrite and bornite, such as talnakhite. The reduction of this product occurs slowly, giving bornite at potentials less than −0.085 V. In the applied potential region −0.085 ≥ E_cat > −0.185 V, the bornite gradually decomposes causing the incomplete conversion to chalcocite. In the potential interval −0.185 > E_cat ≥ −0.285 V, energetic conditions are large enough to allow the immediate decomposition of bornite, forming chalcocite in a more quantitative manner.     

The corrin moiety of coenzyme B12 is the determinant for switching the btuB riboswitch of E. coli

Riboswitches are regulatory elements in the 5'-untranslated region (5'-UTR) of bacterial mRNAs that bind certain metabolites with high specificity and affinity. The 202 nucleotide (nt)-long btuB riboswitch RNA of E. coli interacts specifically with coenzyme B12 and its derivatives thereby leading to changes in the RNA structure and hence to an altered expression of the downstream btuB gene. We report the investigations of the rearrangement of the three-dimensional structure of the btuB riboswitch upon binding to four different B12 derivatives: coenzyme B12, vitamin B12, adenosyl factor A and adenosyl-cobinamide. In-line probing experiments have shown that the corrin ring plays the crucial role in switching the three-dimensional riboswitch structure. Instead, the apical ligands influence only the binding affinity of the B12 derivative to the btuB riboswitch.     

Crosslinking vs. interdiffusion rates in melamine-formaldehyde cured latex coatings: A model for waterborne automotive basecoat

Designing optimal formulations for automotive waterborne basecoats can be fairly complex, often requiring knowledge of events that occur at the molecular level. The ultimate performance of the coating can depend upon the success with which this knowledge is applied. We examine a system in which an aqueous dispersion of an acrylic latex with -OH functionality reacts with a melamine derivative when heated. We use fluorescence-labeling and energy transfer measurements to obtain information on the relative rates of crosslinking and interparticle polymer diffusion in these films. We show that temperature and particle morphology play an important role in the development of film properties. Finally, these energy transfer experiments provide information on the location of the melamine-formaldehyde resin in the dry film before the onset of crosslinking. This system can serve as a model for waterborne basecoat development in many automotive applications. Presented at the 1998 Annual Meeting of the Federation of Societies for Coatings Technology, on October 15, 1998, in New Orleans, LA. Department of Chemistry, 80 St. George St., Toronto, Canada M5S 3H6. Finishes Division, 377 Fairall St., Ajax, ON Canada L1S 1R7.     

Comparison of Structure‐ and Ligand‐Based Virtual Screening Protocols Considering Hit List Complementarity and Enrichment Factors

Structure‐ and ligand‐based virtual‐screening methods (docking, 2D‐ and 3D‐similarity searching) were analysed for their effectiveness in virtual screening against four different targets: angiotensin‐converting enzyme (ACE), cyclooxygenase 2 (COX‐2), thrombin and human immunodeficiency virus 1 (HIV‐1) protease. The relative performance of the tools was compared by examining their ability to recognise known active compounds from a set of actives and nonactives. Furthermore, we investigated whether the application of different virtual‐screening methods in parallel provides complementary or redundant hit lists. Docking was performed with GOLD, Glide, FlexX and Surflex. The obtained docking poses were rescored by using nine different scoring functions in addition to the scoring functions implemented as objective functions in the docking algorithms. Ligand‐based virtual screening was done with ROCS (3D‐similarity searching), Feature Trees and Scitegic Functional Fingerprints (2D‐similarity searching). The results show that structure‐ and ligand‐based virtual‐screening methods provide comparable enrichments in detecting active compounds. Interestingly, the hit lists that are obtained from different virtual‐screening methods are generally highly complementary. These results suggest that a parallel application of different structure‐ and ligand‐based virtual‐screening methods increases the chance of identifying more (and more diverse) active compounds from a virtual‐screening campaign.