Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 20 of 20
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 ...
Engineering SciencesMaterials Science
Deformation Phenomena in Metallic Glass/High Entropy Nanolaminates
The application of metallic glasses (MGs) is limited by their brittle behavior at room temperature [1]. In order to ...
Engineering SciencesMaterials Science
Modeling Soft and Biological Matter Systems
The project was majorly dedicated to build cell mechanistic models and study cell mechanics and cell migration. Both ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
A Machine-Learning Interatomic Potential for the Si-O System
Nowadays, atomistic simulations are becoming more and more important. Due to the increasing availability of ...
Engineering SciencesMaterials Science
Conquering Noise with Hardware Counters on HPC Systems
With increasing system performance and complexity, it is becoming increasingly crucial to examine the scaling behavior ...
Engineering SciencesComputer Science
Multiscale Modelling of Cement-Based Materials
Overall objective of this project is to develop an elementary physical/chemical bridging model for the chemical reaction ...
Engineering SciencesConstruction Engineering and Architecture
Quantifying the Dynamic Acceleration upon Coarse-Graining Using Machine Learning
Coarse-Grained molecular dynamics simulation is a promising alternative to all-atom molecular dynamics simulation for ...
Natural SciencesPhysical and Theoretical Chemistry
Ab-Initio Thermodynamics of Refractory Mo-Si-Ti Phases at High Temperatures
Refractory metal silicide systems like Mo-Si-Ti are expected to be ideal substrates in composite materials for high ...
Engineering SciencesMaterials Science
Molecular Dynamics Simulation of Laser Powder Bed Fusion of Metallic Glasses
The fabrication of metallic glasses by laser powder melt fusion provides a new way for the synthesis of metallic glasses ...
Engineering SciencesMaterials Science
Molecular Dynamics Simulation of a Tribology System
The MD method is suitable for studying the behavior of liquid molecular systems. According to past investigations in the ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Reinforcement of Cr-Mn-Fe-Co-Ni High Entropy Bulk Metallic Glasses: A Molecular Dynamics Study
We investigate the CrMnFeCoNi (Cantor alloy)[1] high-entropy bulk metallic glass (HE-BMG). HE-BMGs are a new amorphous ...
Engineering SciencesMaterials Science
Testing and Development of Methods for the Calculation of Phase Diagrams of Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
A Gaussian Approximation Potential for Silica
For the understanding of materials it is often necessary to analyse them on the atomic scale. Molecular dynamics is a ...
Engineering SciencesMaterials Science
An Atomic Scale Perspective of Deformation Mechanims of Metallic Glasses
Holding unique characteristics, such as a high strength and large elastic limit, metallic glasses are advanced materials ...
Engineering SciencesMaterials Science
Phase Diagram Calculations for Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Structure-Property Relationships in Metallic Glasses
The current limits of metallic glasses are tied to their brittle behavior at room temperature [1]. To overcome brittle ...
Engineering SciencesMaterials Science
Ductile Shape Memory-Amorphous Nanolaminates
We model the deformation behaviour of metallic amorphous/crystalline nanolaminate systems using molecular-dynamics ...
Engineering SciencesMaterials Science
Role of Preferential Cosolvent Adsorption in Cononsolvency
Cononsolvency refers to the effect in which a polymer chain in good solvent collapses when it is mixed with an ...
Natural SciencesPhysical and Theoretical Chemistry
MnAs Nanocluster
Das Hauptaugenmerk unseres Forschungsprojektes ist die Simulation des Wachstums von Gold Atomen (Au) auf eine ...
Natural SciencesChemical Solid State and Surface ResearchOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Molecular Dynamics Simulations of Nanoglasses
Metallic glasses (MGs) are of great technological interest because of their high strength and hardness [1]. However ...
Engineering SciencesMaterials Engineering
