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Displaying 121 - 150 of 163
Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study
Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...
IngenieurwissenschaftenMaterialwissenschaft
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials I
Layered transition metal oxides are employed as cathode materials in high-voltage, rechargeable lithium ion batteries ...
IngenieurwissenschaftenMaterialwissenschaft
Unraveling SARS-Cov-2 Spike Protein Conformational Dynamics Under the Influence of Electric Fields
The spike glycoprotein's interaction with the ACE2 receptor on the host cell is the crucial initial step for virus entry ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Unsteady 1-Way Coupling of Combustor and High-Pressure Turbine
The flow conditions at the combustor turbine interface (CTI) have a significant role in the development process of ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Unsteady Modeling and Simulation of Oxy-Fuel Combustion Chambers
To reduce the C02 footprint of the current energy and transport sector, hydrogen has become one of the most promising ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Visuomotor Control of Pouring Liquids
Natural visuomotor control tasks such as pouring liquids into cups are trivial for humans but are challenging to model ...
LebenswissenschaftenNeurowissenschaft-
Correctness Checking of MPI Derived Datatypes Using TypeART
The message passing interface (MPI) is the de-facto standard for distributed high performance computing. However, it ...
IngenieurwissenschaftenInformatik 
Direct Numerical Simulation of Flame-Wall-Interactions of DME Flames
In the context of global warming, the necessity of efficient and low emission combustion applications arises. The ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
Image Analysis and Calibration of High Dimensional Deformable Cell Models in Complex Geometries Using Advanced Interaction Schemes
Organ-like three-dimensional cell aggregates developed in the laboratory represent versatile cellular models for drug ...
LebenswissenschaftenGrundlagen der Biologie und Medizin 
Learning Physically Interactive Behaviours for Human-Robot Interaction
Modeling interaction dynamics to generate robot trajectories that enable a robot to adapt and react to a human’s actions ...
IngenieurwissenschaftenInformatik
Numerical Simulation of Species Transport within a Double-Square Impinging Jet Configuration
Combustion engines are a common means to power various types of machinery. Despite the declining role of technical ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie
Asymmetric, Lewis-Acid Catalysed, Diels-Alder Reactions of Phthalazine
Novel methods to access complex molecular structures open new avenues for applications in medicalas well as material ...
NaturwissenschaftenMolekülchemie-
Bidentate Lewis-Acid Catalysed Diels-Alder Reactions
Novel methods to access complex molecular structures open new avenues for applications in medical as well as material ...
NaturwissenschaftenMolekülchemie -
Computational Modeling of Photoswitches and Diels-Alder Reactions
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie -
Design and Synthesis of Arylphosphinidenes and Phosphirenes
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie -
Gas-Phase Sugar Formation Using Hydroxymethylene as the Reactive Formaldehyde Isomer
Carbohydrates “(CH2O)n” or sugars are the formal adducts of carbon (atoms) to water with a repeating unit that ...
NaturwissenschaftenMolekülchemie -
In Silico Design and Synthesis of Novel, Metal-Free Systems for Bond Activation and Catalysis
Our research focuses on the activation of stable bonds/small molecules. This is traditionally accomplished by transition ...
NaturwissenschaftenMolekülchemie 
Intermolecular London Dispersion Interactions of Azobenzene Switches
Azobenzenes (AB) are promising candidates for molecular solar thermal energy storage (MOST) systems. After synthesizing ...
NaturwissenschaftenMolekülchemie-
Investigating of New Supramolecular Complexes
Curved aromatic molecules are unique compounds as they combine special properties due to the delocalized π-system, with ...
NaturwissenschaftenMolekülchemie -
Investigating the Switching Dynamics of an Ammonium-tagged Azobenzene in the Gas Phase and in Polar Solvents
Our investigation aimed at determining the photo-physical properties of an ammonium tagged azobenzene 1 in comparison to ...
NaturwissenschaftenMolekülchemie -
Tunnex: An Easy to Use Program to Compute Tunneling Rates
The behavior of small quantized particles to overcome potential energy barriers despite a lack of sufficient energy must ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie -
Ab-initio-Untersuchung von Zinnoxiden
Zinnoxide mit verschiedenen Zusammensetzungen: Auf dem Weg zum elektronischen Bauelement Zinn ist ein ungiftiges ...
NaturwissenschaftenTeilchen, Kerne und Felder 
Centrality Dependence of the Direct Photon Emission
In our work,[1] the photons produced by partonic interactions in the quark-gluon plasma phase was found to have small ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen-
Control of London Dispersion Forces in molecular chemistry
Introduction: Since attractive forces in molecular chemistry are often neglected in molecular chemistry we want to ...
NaturwissenschaftenMolekülchemie 
Direct Photons from Partonic and Hadronic Sources
Our ultimate goal is to understand the dynamical properties of the partonic phase with quarks, antiquarks and gluons as ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen-
Elektronendosimetrie in der Strahlentherapie
Eine erfolgreiche Strahlentherapie mit hochenergetischer Photonen- oder Teilchenstrahlung impliziert eine möglichst ...
LebenswissenschaftenGrundlagen der Biologie und MedizinMedizinNeurowissenschaft 
Evolution of Partonic and Hadronic Matter in Relativistic Heavy-Ion Collisions
The Parton Hadron String Dynamics (PHSD) transport approach has been used to study the evolution of hadronic and ...
NaturwissenschaftenTeilchen, Kerne und Felder
Influence of Magnetic Material on Tunnel Magnetoresistance and Spin-Transfer Torque in MgO-based Tunnel Junctions
Some Heusler alloys, for example intermetallic compounds of the stoichiometric composition X2YZ with L21 structure,[1] ...
NaturwissenschaftenPhysikalische und Theoretische ChemieOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
MnAs Nanocluster
Das Hauptaugenmerk unseres Forschungsprojektes ist die Simulation des Wachstums von Gold Atomen (Au) auf eine ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
