Study on the replication quality of micro-structures in the injection molding process with dynamical tool tempering systems

The injection molding of micro-structures is a promising mass-production method for a broad range of materials. However, the replication quality of these structures depends significantly on the heat flow during the filling stage. In this paper, the filling and heat transfer of v-groove and random structures below 5 μm is investigated with the help of an AFM (atomic force microscope) and thermo couples. A numerical model is developed to predict the filling of surface structures during the filling and packing stage. The model implies the use of simple fully developed flow models taking the power-law material model into account. This permits investigation into which ways several processing parameters affect the polymer flow in the surface structures. The mold wall temperature, which has significant effects on the polymer flow, is varied by using a variothermal mold temperature control system to validate the model proposed.     

Grain Boundaries in Cu(In,Ga)Se2: A Review of Composition–Electronic Property Relationships by Atom Probe Tomography and Correlative Microscopy

Cu(In,Ga)Se₂ thin-film solar cells have attracted significant research interest in recent decades due to their high efficiency in converting solar energy into electricity for enabling a sustainable future. Although the Cu(In,Ga)Se₂ absorber can be grown as a single crystal, its polycrystalline form is dominating the market not only due to its lower costs, but also due to its unexpectedly higher cell efficiency. However, this absorber contains a high fraction of grain boundaries. These are structural defects where deep-trap states can be localized leading to an increase in recombination activity. This controversy is mirrored in the existing literature studies where two main contradictory believes exist: 1) to be crucial grain boundaries in Cu(In,Ga)Se₂ absorber are anomalous, being benign in terms of cell performance, and 2) grain boundaries are regions characterized by an increased recombination activity leading to deteriorated cell performance. Therefore, the present review tackles this issue from a novel perspective unraveling correlations between chemical composition of grain boundaries and their corresponding electronic properties. It is shown that features such as Cu depletion/In enrichment, segregation of 1-2at.% of alkali dopants, and passivation by a wide-bandgap or type inversion at grain boundaries are crucial ingredients for low open-circuit voltage loss and, hence, for superior cell performance.     

Evaluation of registration methods on thoracic CT: the EMPIRE10 challenge

EMPIRE10 (Evaluation of Methods for Pulmonary Image REgistration 2010) is a public platform for fair and meaningful comparison of registration algorithms which are applied to a database of intrapatient thoracic CT image pairs. Evaluation of nonrigid registration techniques is a nontrivial task. This is compounded by the fact that researchers typically test only on their own data, which varies widely. For this reason, reliable assessment and comparison of different registration algorithms has been virtually impossible in the past. In this work we present the results of the launch phase of EMPIRE10, which comprised the comprehensive evaluation and comparison of 20 individual algorithms from leading academic and industrial research groups. All algorithms are applied to the same set of 30 thoracic CT pairs. Algorithm settings and parameters are chosen by researchers expert in the configuration of their own method and the evaluation is independent, using the same criteria for all participants. All results are published on the EMPIRE10 website (http://empire10.isi.uu.nl). The challenge remains ongoing and open to new participants. Full results from 24 algorithms have been published at the time of writing. This paper details the organization of the challenge, the data and evaluation methods and the outcome of the initial launch with 20 algorithms. The gain in knowledge and future work are discussed.     

Protein Engineering of the Progesterone Hydroxylating P450‐Monooxygenase CYP17A1 Alters Its Regioselectivity

The CYP171 enzyme is known to catalyse a key step in the steroidogenesis of mammals. The substrates progesterone and pregnenolone are first hydroxylated at the C17 position, and this is followed by cleavage of the C17?C20 bond to yield important precursors for glucosteroids and androgens. In this study, we focused on the reaction of the bovine CYP17A1 enzyme with progesterone as a substrate. On the basis of a created homology model, active‐site residues were identified and systematically mutated to alanine. In whole‐cell biotransformations, the importance of the N202, R239, G297 and E305 residues for substrate conversion was confirmed. Additionally, mutation of the L206, V366 and V483 residues enhanced the formation of the 16α‐hydroxyprogesterone side product up to 40 % of the total product formation. Furthermore, residue L105 was found not to be involved in this side activity, which contradicts a previous study with the human enzyme.     

Iterative Antimicrobial Candidate Selection from Informed D‐/L‐Peptide Dimer Libraries

Growing resistance to antibiotics, as well as newly emerging pathogens, stimulate the investigation of antimicrobial peptides (AMPs) as therapeutic agents. Here, we report a new library design concept based on a stochastic distribution of natural AMP amino acid sequences onto half‐length synthetic peptides. For these compounds, a non‐natural motif of alternating D ‐ and L ‐backbone stereochemistry of the peptide chain predisposed for β‐helix formation was explored. Synthetic D ‐/L ‐peptides with permuted half‐length sequences were delineated from a full‐length starter sequence and covalently recombined to create two‐dimensional compound arrays for antibacterial screening. Using the natural AMP magainin as a seed sequence, we identified and iteratively optimized hit compounds showing high antimicrobial activity against Gram‐positive and Gram‐negative bacteria with low hemolytic activity. Cryo‐electron microscopy characterized the membrane‐associated mechanism of action of the new D ‐/L ‐peptide antibiotics.     

A contribution to collision-free trajectory planning for handling systems in varying environments

In highly flexible and complex handling systems the risk of collision of moving machine components is continuously increasing. When, for example, several robots share the same workspace and the environment in the workspace is changing due to the operation, the robot trajectories can no longer be planned in advance without the risk of collision. The objective of this paper is the collision-free motion planning of handling system manipulators from the start to the end position within a changing environment. For this purpose, the trajectories on the control system have to be planned during the operating time most efficiently depending on the current state of a varying environment. This paper describes a new approach for trajectory planning based on curve shortening flows combined with potential fields. The functional capability of the method will be demonstrated initially on a simple robot kinematics with two degrees of freedom.     

Upcycling of polypropylene with various concentrations of peroxydicarbonate and dilauroyl peroxide and two processing steps

The influence of two peroxides (peroxydicarbonate/dilauroyl peroxide) with various concentrations (10–200 mmol/kg PP) and their effective opportunity to introduce long chain branched (LCB) were investigated. The dependence of a single and double extrusion step and the changes of the properties were studied. Experiments were carried out in a single screw extruder at 180°C for the first extrusion step (modification) and at 240°C for the second extrusion step (processing simulation). Melt flow rate and dynamic rheological properties were studied at a measuring temperature of 230°C. For the definitive determination of long chain branched polypropylene (LCB-PP) served the extensional rheology measurements. The mechanical properties were examined via tensile test and impact tensile test. Summarized, LCB (melt strength) could be observed via extensional rheology for all modified specimens and the mechanical properties were maintained or even improved for the modified samples. Particularly, samples containing dilauroyl peroxide display excellent mechanical properties in this study.     

Significant ZT enhancement in p-type Ti(Co,Fe)Sb–InSb nanocomposites via a synergistic high-mobility electron injection,energy-filtering and boundary-scattering approach

It has been demonstrated that InSb nanoinclusions, which are formed in situ, can simultaneously improve all three individual thermoelectric properties of the n-type half-Heusler compound (Ti,Zr,Hf)(Co,Ni)Sb (Xie WJ, He J, Zhu S, Su XL, Wang SY, Holgate T, et al. Acta Mater 2010;58:4795). In the present work, the same approach is adopted to the p-type half-Heusler compound Ti(Co,Fe)Sb. The results of resistivity, Seebeck coefficient, thermal conductivity and Hall coefficient measurements indicate that the combined high-mobility electron injection, low energy electron filtering and boundary scattering, again, lead to a simultaneous improvement in all three individual thermoelectric properties: enhanced Seebeck coefficient and electrical conductivity as well as reduced lattice thermal conductivity. A figure of merit of ZT ≈ 0.33 was attained at 900 K for the sample containing 1.0 at.% InSb nanoinclusions, a ～450% improvement over the nanoinclusion-free sample. This represents a rare case that the same nanostructuring approach works successfully for both p-type and n-type thermoelectric materials of the same class, hence pointing to a promising materials design route for higher-performance half-Heusler materials in the future and hopefully will realize similar improvement in thermoelectric devices based on such half-Heusler alloys.     

Modeling kinetic processes controlling hydrogen and acetate concentrations in an aquifer-derived microcosm

Groundwater contaminants may degrade via fermentation to intermediate species, which are subsequently consumed by terminal electron-accepting processes (TEAPs). A numerical model of an aquifer-derived laboratory microcosm is developed to simulate the dynamic behavior of fermentation and respiration in groundwater by coupling microbial growth and substrate utilization kinetics with a formulation that also includes aqueous speciation and other geochemical reactions including surface complexation, mineral dissolution, and precipitation. The model is used to test approaches that currently make use of H2(aq) to diagnose prevalent TEAPs in groundwater. Competition between TEAPs is integral to the conceptual model of the simulation, and the results indicate that competitive exclusion is significant but with some overlap found in the temporal sequence of TEAPs. Steady-state H2(aq) concentrations observed during different TEAPs do not differ significantly. The results are not consistent with previous applications of the partial equilibrium approach since most TEAP redox pairs exhibit free energies that suggest a particular process is able to proceed, yet observations here show that this process does not proceed.