Soft Matter Technology at KIT: Chemical Perspective from Nanoarchitectures to Microstructures

Bioinspiration has emerged as an important design principle in the rapidly growing field of materials science and especially its subarea, soft matter science. For example, biological cells form hierarchically organized tissues that not only are optimized and designed for durability, but also have to adapt to their external environment, undergo self‐repair, and perform many highly complex functions. Being able to create artificial soft materials that mimic those highly complex functions will enable future materials applications. Herein, soft matter technologies that are used to realize bioinspired material structures are described, and potential pathways to integrate these into a comprehensive soft matter research environment are addressed. Solutions become available because soft matter technologies are benefitting from the synergies between organic synthesis, polymer chemistry, and materials science.     

Poly(2-oxazoline)s with a 2,2′-Iminodiacetate End Group Inhibit and Stabilize Laccase

Poly(2-oxazoline)s (POxs) with 2,2′-iminodiacetate (IDA) end groups were investigated as inhibitors for laccase. The polymers with the IDA end groups are reversible, competitive inhibitors for this enzyme. The IC₅₀ values were found to be in a range of 1–3 mm . Compared with IDA alone, the activity was increased by a factor of more than 30; thus indicating that attaching a polymer chain to an inhibitor can already improve the activity of the former. The enzyme activity drops to practically zero upon increasing the concentration of the most active telechelic inhibitor, IDA-PEtOx₃₀-IDA (PEtOx: poly(2-ethyl-2-oxazoline)), from 5 to 8 mm . This unusual behavior was investigated by means of dynamic light scattering, which showed specific aggregation above 5 mm . Furthermore, the laccase could be stabilized in the presence of POx-IDA, upon addition at a concentration of 20 mm and higher. Whereas laccase becomes completely inactive at room temperature after one week, the stabilized laccase is fully active for at least a month in aqueous solution.     

Physical Representation Learning and Parameter Identification from Video Using Differentiable Physics

International Journal of Computer Vision - Representation learning for video is increasingly gaining attention in the field of computer vision. For instance, video prediction models enable activity...     

Investigation of the effects of a variation of fuel assembly position on the ex-core neutron flux detection in a PWR

This work shows the impact of potential displacements of the fuel assembly positions in the reactor core on the signal values of the ex-core instrumentation of a pressurized water reactor in order to understand in detail the impact on the calibration factor of ex-core detectors. This was done with a range of Monte Carlo calculations that simulated the detailed geometrical effect by stepwise changing of the positions of fuel assemblies for selected, conservative scenarios. First, criticality calculations were carried out for the chosen core configurations, and corresponding surface sources on the core barrel were determined. In these calculations, the distances were varied between the fuel assemblies which were in the line of sight of the ex-core instrumentation. A maximal change of the fluxes on the surface of the core barrel of 4%/mm could be calculated under conservative assumptions for the combination of displaced fuel assemblies. In addition, a dependence of this effect as a function of cycle burn-up was analyzed. In a second step, transport calculations for the ionization chambers were performed using the surface sources. An increase of the reaction rate at the chambers of up to 3%/mm has been calculated.     

Structure and Thermal Expansion of YSZ and La2Zr2O7 Above 1500°C from Neutron Diffraction on Levitated Samples

High‐temperature time‐of‐flight neutron diffraction experiments were performed on cubic yttria‐stabilized zirconia (YSZ, 10 mol% YO_1.5) and lanthanum zirconate (LZ) prepared by laser melting. Three spheroids of each composition were aerodynamically levitated and rotated in argon flow and heated with a CO₂ laser. Unit cell, positional and atomic displacement parameters were obtained by Rietveld analysis. Below ~1650°C the mean thermal expansion coefficient (TEC) for YSZ is higher than for LZ (13 ± 1 vs. 10.3 ± 0.6) × 10^?6/K. From ~1650°C to the onset of melting of LZ at ~2250°C, TEC for YSZ and LZ are similar and within (7 ± 2) × 10^?6/K. LZ retains the pyrochlore structure up to the melting temperature with Zr coordination becoming closer to perfectly octahedral. Congruently melting LZ is La deficient. The occurrence of thermal disordering of oxygen sublattice (Bredig transition) in defect fluorite structure was deduced from the rise in YSZ TEC to ~25 × 10^?6/K at 2350°C–2550°C with oxygen displacement parameters (U_iso) reaching 0.1 Å², similar to behavior observed in UO₂. Acquisition of powder‐like high‐temperature neutron diffraction data from solid‐levitated samples is feasible and possible improvements are outlined. This methodology should be applicable to a wide range of materials for high‐temperature applications.     

Genome-Wide Investigation of Multifocal and Unifocal Prostate Cancer—Are They Genetically Different?

Prostate cancer is widely observed to be biologically heterogeneous. Its heterogeneity is manifested histologically as multifocal prostate cancer, which is observed more frequently than unifocal prostate cancer. The clinical and prognostic significance of either focal cancer type is not fully established. To investigate prostate cancer heterogeneity, the genetic profiles of multifocal and unifocal prostate cancers were compared. Here, we report observations deduced from tumor-tumor comparison of copy number alteration data of both focal categories. Forty-one fresh frozen prostate cancer foci from 14 multifocal prostate cancers and eight unifocal prostate cancers were subjected to copy number variation analysis with the Affymetrix SNP 6.0 microarray tool. With the investigated cases, tumors obtained from a single prostate exhibited different genetic profiles of variable degrees. Further comparison identified no distinct genetic pattern or signatures specific to multifocal or unifocal prostate cancer. Our findings suggest that samples obtained from multiple sites of a single unifocal prostate cancer show as much genetic heterogeneity and variability as separate tumors obtained from a single multifocal prostate cancer.     

Market penetration analysis of electric vehicles in the German passenger car market towards 2030

There is currently intensive public discussion of fuel cell electric vehicles (FCEV) and other electric powertrains, such as battery electric vehicles (BEV), plug-in hybrid electric vehicles (PHEV) and hybridized combustion engine vehicles (HEV). In this context, the German government has set the target of one million electric vehicles on the road by 2020, and six million by 2030 [1]. The goal of this paper is to identify the possible market share of electric vehicles in the German new car fleet in three scenarios in the timeframe from 2010 to 2030. The VECTOR21 vehicle technology scenario model is used to model the fleet in three scenarios. In the reference scenario with business-as-usual parameters, 189,000 electric vehicles will be sold in Germany by 2020. Scenario two with purchase price incentives from 5000 EUR, high oil prices, and low prices for hydrogen and electricity will result in 727,000 vehicles. In the last scenario with substantial OEM mark-up reductions and external conditions as in the business-as-usual scenario, 3.28 million vehicles will be sold.     

Lubricant Effects on White Etching Cracking Failures in Thrust Bearing Rig Tests

Abstract

White etching cracking (WEC) is a subsurface bearing failure mechanism influenced by a number of factors, including lubricant composition. Certain metal-containing lubricants have been reported to promote WEC-induced failure; however, the exact mechanisms linking lubricant effects on WEC propensity are still not fully understood. An interesting field that has not been elucidated is the influence of additive concentration and tribofilm growth on WEC initiation, propagation, and failure. The investigations conducted in this work involved two series of oil formulations: one with additives that give rise to WEC (WEC oils) in different combinations and concentrations and another with additives that do not cause WEC (non-WEC oils). A mini traction machine (MTM) in combination with a spacer layer imaging machine (SLIM) was employed to study the growth of tribofilms and their influence on friction response. Insights from the MTM-SLIM study allowed for better interpretation of FE8 bearing tests. When using oils that contribute to WEC formation, the tribofilm-induced WEC mechanism was confirmed, with cracks initiating as early as after 20 h of FE8 testing. Metal-containing additives were found to favor the formation of WECs by generating a high-friction tribofilm and increasing the water content in the lubricant. Furthermore, the source of subsurface H associated with WEC failure is investigated using heavy water (D2O)-saturated oil. A mechanism of water dissociation induced in tribofilm growth (incubation period) is proposed in this article.     

Quantitative atomic 3-D imaging of single/double sheet graphene structure

Graphene sheets can be regarded as base structure of many carbon nanostructures, and atomic arrangements and variations in the atomic structure have a drastic impact on their unique properties. Using a single/double layer graphene model structure, we present a strategy to “see” single carbon atoms in 3-D. In high-resolution transmission electron microscopy, exit-wave images are essential to obtain and to understand 3-D atomic structure. Using electrons at 80 kV not only minimizes the knock-on damage, but also improves the detection sensitivity due to the higher scattering power of carbon at lower acceleration voltage of the electron. Using experiments and image simulations, positions of individual carbon atoms in a single/double layer structure in graphene have been identified.