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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Displaying 31 - 52 of 52
Cooperative kinetics of defects and domain structures in ferroelectrics
Thin films of lead zirconate-titanate (PZT) belong to the most widely used ferroelectric materials. They possess large ...
IngenieurwissenschaftenMaterialwissenschaft
Defect Properties of Lead-Free Antiferroelectrics for Energy Storage Applications
Dielectric capacitors are considered to be promising candidates for energy storage applications in high power ...
IngenieurwissenschaftenMaterialwissenschaft
Intermediate Bands in Indium Thiospinels
In Cu(In,Ga)(S,Se)2 (CIGS) thin-film solar cells, Ga gradient forms readily during the CIGS growth resulting to a high ...
IngenieurwissenschaftenMaterialwissenschaft
Modelling of All Solid-State Lithium Ion Thin Film Battery
The solid-solid interface is a critical obstacle to limit the performance of all-solid-state lithium-ion thin film ...
IngenieurwissenschaftenMaterialwissenschaft
Modelling of Na-Ion Conductors
NASICON, short for Na+ Superionic Conductor, is a group of materials with the composition Na1+xZr2SixP3-xO12 with 0 < x ...
IngenieurwissenschaftenMaterialwissenschaft
Multi-Scale Modeling of Additive Manufactured Magnetic Materials
In need for alternatives to conventional cooling devices, the magnetocaloric effect (MCE) is one of the most promising ...
IngenieurwissenschaftenMaterialwissenschaft
Phase Field Simulation of Ferroelectrics and Antiferroelectrics
The electromechanical coupling properties of ferroelectric materials are widely studied and used to design macro and ...
IngenieurwissenschaftenMaterialwissenschaft
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 ...
IngenieurwissenschaftenMaterialwissenschaft
Ab-initio Modeling of Battery Materials
Improved batteries are needed to meet increasing energy demands worldwide (e.g., portable and medical devices, e ...
IngenieurwissenschaftenMaterialwissenschaft
Chemo-Mechanical Analysis of Inverse Opal Structures as Cathode for Lithium-Ion Batteries
Lithium-ion batteries are the fundamental technology of energy storage for all kind of mobile devices. The never ...
IngenieurwissenschaftenMaterialwissenschaft
Ductile Shape Memory-Amorphous Nanolaminates
We model the deformation behaviour of metallic amorphous/crystalline nanolaminate systems using molecular-dynamics ...
IngenieurwissenschaftenMaterialwissenschaft
Interface Phenomena in Battery Materials and Exchange Spring Magnets
The project focused on interface phenomena in battery materials and exchange spring magnets but also studied the ...
IngenieurwissenschaftenWerkstofftechnikMaterialwissenschaft
Ion Conduction and Defect Formation in Sodium Bismuth Titanate Studied by Density Functional Theory Calculations
Atomistic calculations enable us to observe processes on the micro scale, where common continuum mechanics are not valid ...
IngenieurwissenschaftenMaterialwissenschaft
Multiscale Modeling of the Impact of Dislocations on the Electro-Chemo-Mechanical Behavior of Lithium-Ion Battery Electrodes
In this project, diffusion in Lithium-ion battery-electrodes is investigated on the microscale. Diffusion is often an ...
IngenieurwissenschaftenMaterialwissenschaft
Ab-Initio Calculation of Fundamental Properties of Strained Heterostructures
Many opto-electronic devices, such as laser diodes, solar cells or semiconductor sensors, comprise of semiconductor ...
NaturwissenschaftenPhysik der kondensierten MaterieOptik, Quantenoptik und Physik der Atome, Moleküle und PlasmenIngenieurwissenschaftenMaterialwissenschaft
DFT Based Modeling of the Optical Properties of Dilute Bismides
For the modern communication and information technology semiconductors with improved optoelectronic properties are ...
NaturwissenschaftenPhysik der kondensierten MaterieOptik, Quantenoptik und Physik der Atome, Moleküle und PlasmenIngenieurwissenschaftenMaterialwissenschaft
Multiscale Simulations Toward Predicting Temperature Dependent Properties of Magnetic Materials
Magnetic materials have been widely used in the modern society due to their intriguing functional properties. For ...
IngenieurwissenschaftenMaterialwissenschaft
First-Principles Calculations on Stability of Absorber-Buffer Interface in CIGS-Based Thin Filmsolar Cells
In2S3 as alternative for CdS buffer layer in Cu(In, Ga) (S, Se)2 (CIGS)-base thin film solar cells has gained a lot of ...
Natural SciencesMolecular ChemistryEngineering SciencesMaterials Science
Beyond Ni-Based Superalloys
Improving the efficiency, performance and cost-effectiveness of energy production will depend critically on our ...
IngenieurwissenschaftenMaterialwissenschaft
Atomistic Computer Simulations of Amorphization in Metal/Metallic-Glass Multilayer Systems
Metals show a strong tendency to form crystalline, i.e., ordered phases. For unalloyed metals, the thermodynamically ...
IngenieurwissenschaftenMaterialwissenschaft
Electronic Structure Calculations for Si Anodes in Li Ion Batteries
Silicon (Si) is one of the most attractive anode materials of Li-ion batteries [1, 2]. However, despite high specific ...
IngenieurwissenschaftenMaterialwissenschaft-
Global Water Resources in a Global World
To achieve a sustainable development of the planet Earth, water resources need to be managed well. This requires an ...
NaturwissenschaftenGeologie und Paläontologie
