Investigations of ductile damage during the process chains of toothed functional components manufactured by sheet-bulk metal forming

Sheet-bulk metal forming processes combine conventional sheet forming processes with bulk forming of sheet semi-finished parts. In these processes the sheets undergo complex forming histories. Due to in- and out-of-plane material flow and large accumulated plastic strains, the conventional failure prediction methods for sheet metal forming such as forming limit curve fall short. As a remedy, damage models can be applied to model damage evolution during those processes. In this study, damage evolution during the production of two different toothed components from DC04 steel is investigated. In both setups, a deep drawn cup is upset to form a circumferential gearing. However, the two final products have different dimensions and forming histories. Due to combined deep drawing and upsetting processes, the material flow on the cup walls is three-dimensional and non-proportional. In this study, the numerical and experimental investigations for those parts are presented and compared. Damage evolution in the process chains is simulated with a Lemaitre damage criterion. Microstructural analysis by scanning electron microscopy is performed in the regions with high mechanical loading. It is observed that the evolution of voids in terms of void volume fraction is strongly dependent on the deformation path. The comparison of simulation results with microstructural data shows that the void volume fraction decreases in the upsetting stage after an initial increase in the drawing stage. Moreover, the concurrent numerical and microstructural analysis provides evidence that the void volume fraction decreases during compression in sheet-bulk metal forming.     

Interactions between immunoglobulin-like and catalytic modules in Clostridium thermocellum cellulosomal cellobiohydrolase CbhA

Cellobiohydrolase CbhA from Clostridium thermocellum cellulosome is a multi-modular protein composed starting from the N-terminus of a carbohydrate-binding module (CBM) of family 4, an immunoglobulin(Ig)-like module, a catalytic module of family 9 glycoside hydrolases (GH9), X1(1) and X1(2) modules, a CBM of family 3 and a dockerin module. Deletion of the Ig-like module from the Ig-GH9 construct results in complete inactivation of the GH9 module. The crystal structure of the Ig-GH9 module pair reveals the existence of an extensive module interface composed of over 40 amino acid residues of both modules and maintained through a large number of hydrophilic and hydrophobic interactions. To investigate the importance of these interactions between the two modules, we compared the secondary and tertiary structures and thermostabilities of the individual Ig-like and GH9 modules and the Ig-GH9 module pair using both circular dichroism (CD) spectroscopy and differential scanning calorimetry (DSC). Thr230, Asp262 and Asp264 of the Ig-like module are located in the module interface of the Ig-GH9 module pair and are suggested to be important in 'communication' between the modules. These residues were mutated to alanyl residues. The structure, stability and catalytic properties of the native Ig-GH9 and its D264A and T230A/D262A mutants were compared. The results indicate that despite being able to fold relatively independently, the Ig-like and GH9 modules interact and these interactions affect the final fold and stability of each module. Mutations of one or two amino acid residues lead to destabilization and change of the mechanism of thermal unfolding of the polypeptides. The enzymatic properties of native Ig-GH9, D264A and T230A/D262A mutants are similar. The results indicate that inactivation of the GH9 module occurs as a result of multiple structural disturbances finally affecting the topology of the catalytic center.     

Towards a Structured Framework for Techno-Economic Analyses of Chemical Recycling Technologies

The role of chemical recycling (CR) as a valuable complementary strategy to mechanical recycling in closing the carbon cycle for carbon-containing waste is currently being discussed in political, economic, and social spheres. However, CR deployment is hindered by uncertainties regarding its environmental impacts and costs compared to conventional waste treatment and chemical production routes. While methods for assessing CR's environmental impacts are the focus of socio-political debates and investigations, techno-economic analyses (TEA) to evaluate costs of CR remain scarce. To contribute to a standardized framework for assessing the economic viability of CR technologies, this article draws on life cycle assessment and TEA literature to develop a six-stage TEA process for CR. A checklist is also presented to support transparent and comprehensive analyses.     

Beyond Plastics-to-Plastics to Waste-to-Products: Opportunities for Closing the Carbon Cycle via Chemical Recycling

The plastic crisis is a key driver for chemical recycling (CR), with focus placed on plastics circularity via Plastics-to-Plastics. This neglects its potential in enabling circularity for a wide range of carbon-containing waste and hinders a critical discussion of its broader contributions to decarbonizing the chemical sector. To address this gap, four CR routes and their integration in the conventional waste treatment and chemical production value chains are briefly reviewed, and reasons proposed for a focus expansion to Waste-to-Products to realize opportunities for closing the carbon cycle via chemical recycling.     

Novel Type II Fatty Acid Biosynthesis (FAS II) Inhibitors as Multistage Antimalarial Agents

Malaria is a potentially fatal disease caused by Plasmodium parasites and poses a major medical risk in large parts of the world. The development of new, affordable antimalarial drugs is of vital importance as there are increasing reports of resistance to the currently available therapeutics. In addition, most of the current drugs used for chemoprophylaxis merely act on parasites already replicating in the blood. At this point, a patient might already be suffering from the symptoms associated with the disease and could additionally be infectious to an Anopheles mosquito. These insects act as a vector, subsequently spreading the disease to other humans. In order to cure not only malaria but prevent transmission as well, a drug must target both the blood‐ and pre‐erythrocytic liver stages of the parasite. P. falciparum (Pf) enoyl acyl carrier protein (ACP) reductase (ENR) is a key enzyme of plasmodial type II fatty acid biosynthesis (FAS II). It has been shown to be essential for liver‐stage development of Plasmodium berghei and is therefore qualified as a target for true causal chemoprophylaxis. Using virtual screening based on two crystal structures of PfENR, we identified a structurally novel class of FAS inhibitors. Subsequent chemical optimization yielded two compounds that are effective against multiple stages of the malaria parasite. These two most promising derivatives were found to inhibit blood‐stage parasite growth with IC₅₀ values of 1.7 and 3.0 μM and lead to a more prominent developmental attenuation of liver‐stage parasites than the gold‐standard drug, primaquine.     

Phase Separation and Spatial Morphology in Sodium Silicate Glasses by AFM,Light Scattering and NMR

The morphological and structural properties of sodium silicate (Na₂O–SiO₂) glasses were analyzed using atomic force microscopy (AFM) and light scattering following thermal treatments. AFM observations indicated that the glass surface microstructure evolves during the phase separation mechanisms from continuous interpenetrating phases in the spinodal decomposition process to separated droplets embedded in a continuous matrix for the nucleation/growth one. Raman mapping gave evidence of a phase separation through the nucleation/growth process with formation of silica‐rich clusters characterized by higher polymerization degree as separate droplets. The variations in inhomogeneities versus temperature investigated by Brillouin are exponential for spinodal decomposition and linear in the case of nucleation/growth mechanism. Nuclear magnetic resonance spectroscopy was used to investigate the spatial distribution of the various Q_n species present in thermally treated glasses and allows determining fractal dimension between two and three.     

Weak identification in the ESTAR model and a new model

Determining good parameter estimates in (exponential smooth transition autoregressive) models is known to be difficult. We show that the phenomena of getting strongly biased estimators is a consequence of the so‐called identification problem, the problem of properly distinguishing the transition function in relation to extreme parameter combinations. This happens in particular for either very small or very large values of the error term variance. Furthermore, we introduce a new alternative model – the TSTAR model – which has similar properties as the ESTAR model but reduces the effects of the identification problem. We also derive a linearity and a unit root test for this model.     

Surface-Induced Interphases During Curing Processes Between Bi- and Pentafunctional Components: Reactive Coarse-Grained Molecular Dynamics Simulations

The present reactive molecular dynamics (RMD) simulations discuss the formation of interphase regions in cured polymer adhesives. The latter are obtained from the curing of reactive liquid mixtures composed of pentafunctional linkers and bifunctional monomers in contact with idealized surfaces. The present reactive scheme mimics the one of epoxies with amine linkers, i.e., processes investigated experimentally by Possart and co-workers. Generic RMD simulations are performed in a coarse-grained (CG) resolution to evaluate basic principles in curing characterized by preferential interactions. The creation of linker-rich domains is promoted by preferential surface-linker as well as linker-linker interactions in the reactive mixtures. The dimension of the interphase both in the starting mixture and the cured network depends on these preferential interactions which lead to a retardation of the curing velocity. This retardation behavior is mapped by conversion curves as a function of the number of reactive steps and by the spatially resolved profiles of the connected linkers. Although derived by generic potentials, the simulated reduction of the curing velocity is in agreement with experimental results in epoxies. The chosen interactions also imply a smaller number of linker bonds in the interphase than in the bulk region. The present RMD approach offers insight into key parameters of curing processes under the influence of preferential surface interactions coupled to selective attractions in the liquid starting mixture.     

A Shelter to Protect a Passive Sampler for Coarse Particulate Matter,PM10 − 2.5

This work designed and tested a shelter to protect a passive sampler for measuring coarse particulate matter, PM _{10 ? 2.5} . The shelter protects the sampler from precipitation and reduces the effects of wind on the deposition of particles to its collection surface. Six shelters were tested in a wind tunnel at three wind speeds: 2, 8, and 24 km hr ^?1 . Shelter performance was expressed as the ratio of PM _{10 ? 2.5} measured with the passive samplers to that measured with a filter-based dichotomous sampler. For most shelters, the PM _{10 ? 2.5} ratio averaged across wind speeds was well above one (2.4 to 8.5) and was generally dependent on wind speed. However, the PM _{10 ? 2.5} ratio for one shelter, the Flat Plates shelter, was 1.04 with substantially less effect on particle deposition from wind speed. Eight week-long field tests were conducted to compare PM _{10 ? 2.5} measured with a passive sampler installed in a Flat Plates shelter to that measured with a collocated filter-based dichotomous sampler. In these tests, the mean PM _{10 ? 2.5} ratio was 1.29. The linear relationship between PM _{10 ? 2.5} measured passively to that measured with the filter-based sampler had a Pearson correlation coefficient of 0.97 and was not significantly affected by the addition of weekly mean wind speed (p = 0.35). Although temperature was significant in this regression model (p = 0.02), it only improved the relationship marginally. The passive sampler in a Flat Plates shelter offers an inexpensive means to assess ambient PM _{10 ? 2.5} without on-site measurement of wind speed.     

Evaluation of the Loading Characteristics of the EPA WINS PM2.5 Separator

The loading characteristics of the USEPA Well Impactor Ninety Six (WINS) PM_2.5 separator was an important design consideration during the separator's development. In recognition that all inertial separators eventually overload, the loading surface of the WINS was designed to be easily accessible, replaceable, and cleanable. Prior to promulgation of the method, the loading capacity of the WINS separator was evaluated by measuring its performance after repeated loading with laboratory-generated, high concentration, coarse-mode aerosol. For this purpose, a low flow rate loading wind tunnel was designed and constructed to artificially create coarse mode aerosols composed of Arizona Test Dust. This controlled test atmosphere was sampled by the PM_2.5 reference method sampling train, as specified in 40 CFR Part 50, Appendix L, at total aerosol mass concentrations averaging 332