Project Details

Professor Dr. Karsten Albe

Address Technische Universität Darmstadt
Fachbereich Material- und Geowissenschaften
Fachgebiet Materialmodellierung
Otto-Berndt-Straße 3
64287 Darmstadt

Projects

As Applicant
- Current projects
  - Intermediate bands in indium thiospinels (Research Grants)
  - Influence of defect chemistry on ferroelectric properties of KNN (Research Grants)
  - Nano-Micro Scale Transition via Atomistic-Continuum Coupling by Homogenization (Research Grants)
  - Thermomechanical properties and microstructure of fcc and bcc high-entropy alloys (Priority Programmes)
  - Controlling core-shell structures in (Na1/2Bi1/2)TiO3 based ceramics and investigating their impact on electrical properties (Research Grants)
  - Machine-learning interatomic potentials: A new avenue towards modelling of energy-storage materials (Research Grants)
- Completed projects
  - Atomistische Computersimulation der elementaren Prozesse beim Gleiten von Korngrenzen (Research Grants)
  - Modellierung, Computersimulation, Mechanismen der Verformung nanokristalliner Metalle (Research Units)
  - Exploration of phase stability and low-pressure synthesis of solid nitrogen by means of atomic scake computer simulations and experiments (Research Grants)
  - Atomic scale modeling of metallic nanoparticles embedded in nanoscale carbon structures (Research Grants)
  - Atomistische Modellierung des Einflusses von Legierungszusätzen auf die Korngrenzeigenschaften in Mo-Si-B und Co-Re Superlegierungen (Research Units)
  - Mechanische und kinetische Eigenschaften metallischer Gläser mit nanoskaligen Sekundärphasen (Research Grants)
  - Microstructure and Stability of Metallic Nanoglasses (Research Grants)
  - Nanocomposites as anode materials for lithium ion batteries: Synthesis, thermodynamic characterization and modeling of nanoparticular silicon dispersed in SiCN(O) and SiCO-based matrices (Priority Programmes)
  - Interface phenomena in ionic systems: a surface science approach (Research Grants)
  - Design of electrocaloric multilayer refrigerators via multi-scale modeling (Priority Programmes)
  - Defect chemistry and conductivity mechanisms in acceptor doped sodium-bismuth titanate (NBT) (Research Grants)
  - Nanoglasses - A way to enhanced mechanical properties of amorphous materials (Priority Programmes)
  - Modelling of electronic and structural strain effects in grain boundaries of semiconducting oxides (Research Grants)
  - OVITO: Visualization and data analysis software for particle-based simulations in physics, chemistry and materials research (Research data and software)
  - From interatomic potentials to phase diagrams: Integrated tools for validation and fitting (Research Grants)
As Spokesperson
- Completed projects
  - SFB 595: Electric Fatigue in Functional Materials (Collaborative Research Centres)
As Participating Researcher
- Current projects
  - GRK 2561: Materials Compounds from Composite Materials (Research Training Groups)
As Project Head
- Current projects
  - Fermi level engineering of doped perovskites: From the dilute limit to phase formation (Collaborative Research Centres)
  - Polaronic contributions to Fermi level tolerance in perovskite-type oxide electroceramics (Collaborative Research Centres)
  - Fermi level engineering of grain boundaries in perovskite oxides by first-principles calculations (Collaborative Research Centres)
- Completed projects
  - Quantum mechanical computer simulations for electron and defect structure of oxides (Collaborative Research Centres)
  - Atomistic computer simulations of defects and their mobility in metal oxides (Collaborative Research Centres)
  - Additive manufacturing of magnetocaloric nanomaterials: An atomstic modelling approach towards hysteresis and microstructure design (CRC/Transregios)
As Participating Person
- Current projects
  - NFDI4Ing – National Research Data Infrastructure for Engineering Sciences (NFDI technical and methodological consortia)
- Completed projects
  - High-Temperature Creep Behavior of SiOC-Based Glasses and Glass-Ceramics (Research Grants)
As Cooperation Partner
- Completed projects
  - Understanding the atomic structure of shear bands in metallic glass using a newly developed STEM diffraction technique: RDF imaging (Research Grants)
  - Multiscale modeling of the impact of dislocations on the electro-chemo-mechanical behavior of lithium-ion battery electrodes (Research Grants)
As Co-Investigator
- Completed projects
  - Interatomare potentials for amorphous solids from second principles (Research Grants)

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Professor Dr. Karsten Albe

Additional Information

Servicenavigation

Hauptnavigation

Professor Dr. Karsten Albe

Additional Information

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