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Displaying 1 - 30 of 118
Defect chemistry and Band structure of NBT-xBT
Sodium bismuth titanate-barium titanate (Na0.5Bi0.5TiO3-BaTiO3, abbreviated as NBT- BT) with high Curie temperature and ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
First-Principles Calculations of Spectroscopic Signatures III
Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...
NaturwissenschaftenPhysik der kondensierten Materie
Numerical Simulation of Nucleate Boiling in Microgravity
Nucleate boiling is a very efficient heat transfer mechanism. It is used in a wide variety of applications on Earth ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Practical Empirical Performance Modeling for CFD Applications using Extra-P
HPC applications can contain implicit performance bottlenecks, for example, due to caching or synchronization effects ...
IngenieurwissenschaftenInformatik
Calculating Reaction Energy Barrier of HCN Formation From CH2O With CuSSZ13 Zeolite Catalyst
Biomass-derived fuels are promising candidates to replace traditional fossil-based fuels for mobility and propulsion but ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie
Computational Study of Transient Indoor Airflow with an Eddy Resolving Turbulence Model
This project’s main objective is the numerical analysis of mechanically ventilated rooms in different scenarios under ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Direct Numerical Simulations of Mesopore Imbibition Using a Phase-Field Approach
Mesoporous materials, which have pore sizes in the range of 10-200 nanometers, have attracted significant attention due ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
exaFOAM Performance Analysis and Modeling
The exaFOAM project [1] aims at overcoming the current limitations of Computational Fluid Dynamics (CFD) technology ...
IngenieurwissenschaftenInformatik
Multi-Model Multi-Phase Cause-Effect Chain Simulation in Direct Injection Engines
Internal combustion engines are vital to the modern transportation sector, and ongoing research is essential to optimize ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Multiscale Modelling of Cement-Based Materials III
The project seeks to create a comprehensive model linking nanoscale phenomena to larger-scale behaviors to better ...
IngenieurwissenschaftenBauwesen und Architektur
Principles of On-Surface Synthesis
In the past centuries chemists have established a solid knowledge for the synthesis of molecules in solution. With the ...
NaturwissenschaftenPhysik der kondensierten Materie
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials II
Layered transition metal oxides, derived from the model system LiCoO2, are used as cathode materials in Li-ion batteries ...
IngenieurwissenschaftenMaterialwissenschaft
Combustion of Individual Iron Microparticles With Resolved Boundary Layers I
Metal fuels are promising green energy carriers due to their high volumetric energy density, recyclability, and ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Designing Materials With Photo-Induced Phase Transitions
The potential of chalcogenides in applications like optoelectronics, thermoelectrics, transparent contacts, and thin ...
NaturwissenschaftenPhysik der kondensierten Materie
Dislocations for Defect-Based Quantum Computing
A quantum computer is a device that exploits quantum behavior to solve a computational problem that cannot be tackled ...
NaturwissenschaftenPhysik der kondensierten MaterieIngenieurwissenschaftenMaterialwissenschaft
First-Principles Calculations of Spectroscopic Signatures II
Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...
NaturwissenschaftenPhysik der kondensierten Materie
High Fidelity Numerical Simulations of Atomization Process for Two-Fluid Nozzles
Spray drying is one of the most used manufacturing techniques by the pharmaceutical industry. It enhances the ...
Ingenieurwissenschaften
High-Throughput Design Co-based Heusler Alloys as Multi-Functional Magnetic Materials via Substitutional Doping
Heusler alloys are a remarkable class of intermetallic materials with a wide spectrum of intriguing physical properties ...
IngenieurwissenschaftenMaterialwissenschaft
High-Throughput Design of Chalcogenide Materials for Optoelectronic Devices
Optoelectronic materials have attracted significant attention owing to the global energy shortage and environmental ...
IngenieurwissenschaftenMaterialwissenschaft-
High-Throughput Discovery of Mab and Mbene Superconductors
We survey the landscape of MAB and Mbene superconductors out of our previous high-throughput predictions using first ...
NaturwissenschaftenPhysik der kondensierten Materie 
Influence of Wheel Wake on Vehicle Aerodynamics: A Numerical Study using Eddy-Resolving Turbulence Models
Motivated by the cost-cutting in the process of vehicle certification, the industry sees a growing potential in the ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Interatomic Potentials for Li-Si-O and Si-O-C
To understand and study complex materials at the atomic level, it is essential to be able to calculate forces and ...
IngenieurwissenschaftenMaterialwissenschaft
Mixture Formation and Combustion of Alcohols and Other Biogenic Fuels in Mixture-Controlled Combustion Processes
This project aims to investigate various renewable fuels in 3D spray simulations (synthetic and biogenetic). For ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Multiscale Modelling of Cement-Based Materials II
The project aims to develop a bridging model that connects the nanoscale to the upscaled levels for understanding the ...
IngenieurwissenschaftenBauwesen und Architektur
Numerical Analysis of Surfactant Transport and Wetting Phenomena in Inkjet Printing
Droplet impingement and spreading are of particular relevance for various technical applications, including inkjet ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Investigation and Optimisation of Doctor Blading in the Gravure Printing Process
Stainless steel doctor blading is a preferred method for predosing inks in industrial mass printing, offering ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Investigation of Drop Impact, Coalescence and Evaporation on Superheated Surfaces IV
Spray cooling is a very effective method for cooling of electronic devices. The study of the impact of single and ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Investigation of Droplets Moving on Inclined Surfaces: Forces Acting During Motion
Despite the motion of drops seeming a simple phenomenon, the behavior of a droplet on an inclined solid surface is far ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Optical Response of (Hetero)Adamantine Clusters
White light generation (WLG) is one of the most puzzling and exciting topics in nonlinear optics. Strictly speaking, WLG ...
NaturwissenschaftenPhysik der kondensierten Materie
RUBI Simulation (Numerical Simulations on the Effect of an Electric Field on Nucleate Boiling in Microgravity)
Nucleate boiling is a very efficient heat transfer mechanism. It is used in a wide variety of applications on Earth ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie
