Direct optical-structure correlation in atomically thin dichalcogenides and heterostructures

Atomically thin transition metal dichalcogenides (TMDs) have distinct opto-electronic properties including enhanced luminescence and high on-off current ratios, which can be further modulated by making more complex TMD heterostructures. However, resolution limits of conventional optical methods do not allow for direct nanoscale optical-structural correlation measurements in these materials, particularly of buried interfaces in TMD heterostructures. Here we use, for the first time, electron beam induced cathodoluminescence in a scanning transmission electron microscope (CL-STEM) to measure optical properties of monolayer TMDs (WS₂, MoS₂ and WSSe alloy) encapsulated between layers of hBN. We observe dark areas resulting from localized (~ 100 nm) imperfect interfaces and monolayer folding, which shows that the intimate contact between layers in this application-relevant heterostructure is required for proper inter layer coupling. We also realize a suitable imaging method that minimizes electron-beam induced changes and provides measurement of intrinsic properties. To overcome the limitation of small electron interaction volume in TMD monolayer (and hence low photon yield), we find that encapsulation of TMD monolayers with hBN and subsequent annealing is important. CL-STEM offers to be a powerful method to directly measure structure-optical correspondence in lateral or vertical heterostructures and alloys.

     

Anwendung eines Stranggieß-Simulationsmodells bei Štore Steel – II

This paper represents the elements and the use of the upgraded simulation system, developed in the last half decade for ?tore Steel billet caster. The simulation system is used in the context of the state-of-the-art automation and information of the twenty-five year-old three-strand Concast billet continuous caster for dimensions square 140 and 180 mm with the capacity of 160,000 tons/year. The simulation system is used in the off-line and on-line modes. The off-line mode is used in order to set the proper process parameters and to calculate the temperature field, macrosegregation, and grain structure of the strand. It is also used to calculate the changes in the caster design such as the secondary cooling and the position of the SEN. The on-line model is used in automatic casting control system. The paper represents an update of our BHM publication of 2005 (Application of Continous Casting Simulation at ?tore Steel, BHM, Vol. 150, No. 9, 300–306).     

Enhancing the performance of hybrid genetic algorithms by differential improvement

A differential improvement modification to Hybrid Genetic Algorithms is proposed. The general idea is to perform more extensive improvement algorithms on higher quality solutions. Our proposed Differential Improvement (DI) approach is of rather general character. It can be implemented in many different ways. The paradigm remains invariant and can be easily applied to a wider class of optimization problems. Moreover, the DI framework can also be used within other Hybrid metaheuristics like Hybrid Scatter Search algorithms, Particle Swarm Optimization, or Bee Colony Optimization techniques.     

Prediction of traditionally utilised wheat dough technological quality parameters from Mixolab values: development and evaluation of regression models

The research was conducted with the aim to investigate the possibility of Farinograph, Extensograph and Amylograph values prediction with linear and/or multiple Mixolab regression models. In total, 163 flour samples were divided based on Machalanobis distances into three sets: prediction, validation and external sample set. Determination coefficients ranged from 0.145 to 0.640 for linear regression models and from 0.279 to 0.739 for multiple regression models. Internal and external validation of developed regression models was conducted. Testing of developed models resulted in a high share of samples for which predicted values were out of the ranges of method official reproducibility and a high share of samples for which predicted values were out of the quality level range obtained by analytical measurement. It was concluded that it is impossible to develop applicable regression models for prediction of Farinograph, Extensograph and Amylograph parameters on the basis of Mixolab values from standard protocol.     

Many Plans: Multidimensional Ensembles for Visual Decision Support in Flood Management

Uncertainties in flood predictions complicate the planning of mitigation measures. There is a consensus that many possible incident scenarios should be considered. For each scenario, a specific response plan should be prepared which is optimal with respect to criteria such as protection, costs, or realization time. None of the existing software tools is capable of creating large scenario pools, nor do they provide means for quick exploration and assessment of the associated plans. In this paper, we present an integrated solution that is based on multidimensional, time‐dependent ensemble simulations of incident scenarios and protective measures. We provide scalable interfaces which facilitate and accelerate setting up multiple time‐varying parameters for generating a pool of pre‐cooked scenarios. In case of an emergency, disaster managers can quickly extract relevant information from the pool to deal with the situation at hand. An interactive 3D‐view conveys details about how a response plan has to be executed. Linked information visualization and ranking views allow for a quick assessment of many plans. In collaboration with flood managers, we demonstrate the practical applicability of our solution. We tackle the challenges of planning mobile water barriers for protecting important infrastructure. We account for real‐world limitations of available resources and handle the involved logistics problems.     

Real‐Time Modelling of Fibrous Muscle

Relatively recently it has become apparent that providing human kind with a better healthcare requires personalized, predictive and integrative medicine, for which the building of virtual physiological human (VPH) framework accessible via virtual patient avatar is necessary. Real‐time modelling and visual exploration of such a complex avatar is a challenging task. In this paper, we propose a real‐time method for automatic modelling of an arbitrarily large number of muscle fibres in the volume of a muscle represented by its surface mesh. The method is based on an iterative morphing of predefined fibres template into the muscle volume exploiting harmonic scalar field computed on the surface of muscle. Experiments with muscles of thighs and pelvis show that the method produces realistic shapes of fibres. Our sequential VTK‐based C++ implementation is capable of producing 64 fine fibres within a muscle of 10K triangles in less than 170 ms on commodity hardware making the method suitable for VPH purposes as well as for interactive educational medical software.     

Visualization of the Centre of Projection Geometrical Locus in a Single Image

Single view reconstruction (SVR) is an important approach for 3D shape recovery since many non‐existing buildings and scenes are captured in a single image. Historical photographs are often the most precise source for virtual reconstruction of a damaged cultural heritage. In semi‐automated techniques, that are mainly used under practical situations, the user is the one who recognizes and selects constraints to be used. Hence, the veridicality and the accuracy of the final model partially rely on man‐based decisions. We noticed that users, especially non‐expert users such as cultural heritage professionals, usually do not fully understand the SVR process, which is why they have trouble in decision making while modelling. That often fundamentally affects the quality of the final 3D models. Considering the importance of human performance in SVR approaches, in this paper we offer a solution that can be used to reduce the amount of user errors. Specifically, we address the problem of locating the centre of projection (CP). We introduce a tool set for 3D visualization of the CP's geometrical loci that provides the user with a clear idea of how the CP's location is determined. Thanks to this type of visualization, the user becomes aware of the following: (1) the constraint relevant for CP location, (2) the image suitable for SVR, (3) more constraints for CP location required, (4) which constraints should be used for the best match, (5) will additional constraints create a useful redundancy. In order to test our approach and the assumptions it relies on, we compared the amount of user made errors in the standard approaches with the one in which additional visualization is provided.     

Numerical modelling of calcination reaction mechanism for cement production

Calcination is a thermo-chemical process, widely used in the cement industry, where limestone is converted by thermal decomposition into lime CaO and carbon dioxide CO₂. The focus of this paper is on the implementation and validation of the endothermic calcination reaction mechanism of limestone in a commercial finite volume based CFD code. This code is used to simulate the turbulent flow field, the temperature field, concentrations of the reactants and products, as well as the interaction of particles with the gas phase, by solving the mathematical equations, which govern these processes. For calcination, the effects of temperature, decomposition pressure, diffusion and pore efficiency were taken into account. A simple three-dimensional geometry of a pipe reactor was used for numerical simulations. To verify the accuracy of the modelling approach, the numerical predictions were compared with experimental data, yielding satisfying results and proper trends of physical parameters influencing the process.     

Effect of solute interaction on interfacial segregation and grain boundary embrittlement in binary alloys

The effect of solute interaction on interfacial segregation and intergranular embrittlement is modeled on the basis of the combined Fowler and Rice–Wang approaches in a binary system using the chosen values of standard thermodynamic parameters of interfacial segregation and varied values of the binary interaction coefficients. It is clearly shown that attractive interaction strengthens interfacial segregation and substantially enhances intergranular embrittlement, while repulsive interaction exhibits an opposite effect. This finding is demonstrated in the available literature data.