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Kupfer- und Eisenoxide als Konversions-Elektrodenmaterialien fuer Lithium-Ionen-Batterien: Thermodynamische und Elektrochemische Untersuchungen
Conversion-type electrodes are promising electrode materials for future lithium ion batteries since they exhibit high specific capacities compared to intercalation-type eclectrodes. In this work, a thermodynamic approach was used to elucidate the electrochemical behavior of conversion-type electrodes using Li-Cu-O and Li-Fe-O as model material systems. electrochemical properties can be calculated using self-sonstistent thermodynamic descriptions developed in this work.
Consequences of hydroxyl generation by the silica/water reaction - Part II: Global and local Swelling - Part III: Damage and Young's Modulus
Water diffusing into silica surfaces gives rise for several effects on diffusion behaviour and mechanical properties. In a preceding booklet, we focused on diffusion and fiber strengths and deformations which were obtained by water soaking under external loading. In the present booklet we deal with results and interpretations of strength increase in the absence of applied stresses.
A novel micro-mechanical model for prediction of multiaxial high cycle fatigue at small scales
The grain microstructure and damage mechanisms at the grain level are the key factors that influence fatigue of metals at small scales. This is addressed in this work by establishing a new micro-mechanical model for prediction of multiaxial high cycle fatigue (HCF) at a length scale of 5-100?m. The HCF model considers elasto-plastic behavior of metals at the grain level and microstructural parameters, specifically the grain size and the grain orientation.
Modeling transport properties and electrochemical performance of hierarchically structured lithium-ion battery cathodes using resistor networks and mathematical half-cell models
Hierarchically structured active materials in electrodes of lithium-ion cells are promising candidates for increasing gravimetric energy density and improving rate capability of the system. To investigate the influence of cathode structures on the performance of the whole cell, efficient tools for calculating effective transport properties of granular systems are developed and their influence on the electrochemical performance is investigated in specially adapted cell models.
Phase-field modeling of microstructural pattern formation in alloys and geological veins
With the advent of high performance computing, the application areas of the phase-field method, traditionally used to numerically model the phase transformation in metals and alloys, have now spanned into geoscience. A systematic investigation of the two distinct scientific problems in consideration suggest a strong influence of interfacial energy on the natural and induced pattern formation in diffusion-controlled regime.
Application of Data Mining and Machine Learning Methods to Industrial Heat Treatment Processes for Hardness Prediction
This work presents a data mining framework applied to industrial heattreatment (bainitization and case hardening) aiming to optimize processes and reduce costs. The framework analyses factors such as material, production line, and quality assessment for preprocessing, feature extraction, and drift corrections. Machine learning is employed to devise robust prediction strategies for hardness. Its implementation in an industry pilot demonstrates the economic benefits of the framework. - This work presents a data mining framework applied to industrial heattreatment (bainitization and case hardening) aiming to optimize processes and reduce costs. The framework analyses factors such as material, production line, and quality assessment for preprocessing, feature extraction, and drift corrections. Machine learning is employed to devise robust prediction strategies for hardness. Its implementation in an industry pilot demonstrates the economic benefits of the framework.
Development of NbN based Kinetic Inductance Detectors on sapphire and diamond substrates for fusion plasma polarimetric diagnostics
This work aimed at designing, studying and producing the first prototypes of KIDs tailored for fusion plasma polarimetric diagnostics. Diamond was considered for the first time as substrate material for low-temperature superconducting detectors given its unmatched optical, radiation hardness and thermal qualities, properties necessary for working environments potentially saturated with radiation. This work represents a first step toward the optimization and final application of this technology.
Dynamic Model-based Analysis of Oxygen Reduction Reaction in Gas Diffusion Electrodes
In this work, the first simulation model of oxygen depolarized cathodes (ODC), which are silver catalyst-based gas diffusion electrodes, is presented that considers the phase equilibrium of the gas-liquid interface and structure-related inhomogeneities in electrolyte distribution. By means of the model it has been identified that mass transport of water and ions in the liquid phase is a crucial factor for electrode performance and how it is influenced by the electrode structure.
Multiscale Modeling of Curing and Crack Propagation in Fiber-Reinforced Thermosets
During the production of fiber-reinforced thermosets, the resin material undergoes a reaction that can lead to damage. A two-stage polymerization reaction is modeled using molecular dynamics and evaluations of the system including a fiber surface are performed. In addition, a phase-field model for crack propagation in heterogeneous systems is derived. This model is able to predict crack growth where established models fail. Finally, the model is used to predict crack formation during curing.
Phase-field simulations of multi-component solidification and coarsening based on thermodynamic datasets
The utilization of thermodynamic and mobility data plays a major role in phase-field modeling. This work discusses different formulations for the thermodynamic quantities of a grand potential model along with practices to determine parameters from datasets. The framework is used to study solidification of Al-Si-Mg for a variation of composition, diffusivities and surface energy anisotropies. To verify the simulations, they are compared with solidification theories.
