ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

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21222324 251. Using shape memory alloys for cooling processes.
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 281. 3D characterization of competitive dendrite growth and on the role of low angle grain boundaries during...
1 21. On the influence of γ’-particle size on the yield stress anomaly in Ni-base single crystal superalloys.
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 141. In-depth EBSD investigation of spatially coupled crystallographic properties in binary Fe-Ni alloys.
1516 171. Recent progress on Ti-Ta-based high temperature shape memory alloys.
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2122 231. Parametrization of atomic cluster expansion potential for carbon.
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 281. Single crystal cast microstructures characterized by the RVB-EBSD method.
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16 171. On the role of refractory d-shell elements in SFB/TR 103.
2. Effects of off-stoichiometric compositions on microstructures and martensitic phase transformations in...
181920 211. Effects of chemical complexity on microstructures, martensitic transformations and atomic mobilities.
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1 21. Modelling nano-scale carbon materials with quantum accuracy.
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 131. Combining finite cells and eigenerosion for an efficient simulation of ductile crack propagation through...
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 201. An efficient sequential approach to sample the grain boundary parameter space.
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27 281. Exploring the influence of different stress states and the transition towards topological inversion.
2. Macroscopic characteristics of plastic deformation in bcc metals described through dislocation mobility...
29 301. Alloy chemistry and size effect: a micromechanical study of fcc high entropy alloys.
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252627282930 311. Voxel-based simulations of ductile crack propagation through metal matrix composite microstructures based...
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2223 241. Active learning strategies for atomic cluster expansion (ACE) models.
 251. Atomic-environment descriptors with domain-knowledge of the interatomic bond.
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 51. An efficient method to access the grain boundary parameter space with atomistic simulations.
2. Atomistic simulation of diffusion in 𝛾'-strengthened Co-based superalloys.
3. Coupled functional structural fatigue of NiTi-based shape memory alloys – degradation mechanisms, damage...
4. Impact of point defects on the ferroelectric phase diagram: a molecular dynamics study on the defect...
 61. Transferable atomic cluster expansion potential for carbon.
2. Macroscopic characteristics of plastic deformation described through dislocation mobility properties.
 71. Pinning of domain walls by strontium inclusions in BaTiO3.
2. Atomic cluster expansion for the Ag-Pd system.
3. Atomic cluster expansion: a universal machine learning potential for magnesium.
 81. The relation between electrocaloric effect and non-collinear electric fields: a coarse-grained case study...
 91. Microstructures and martensitic transformations in high entropy shape memory alloys – effects of chemical...
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121314 151. Using machine learning for efficient computational homogenization of variable artificial microstructure...
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 191. Effects of single crystal growth techniques on dendritic microstructures and small angle misorientation...
2. Design and creep of a new polycrystalline Ni-base superalloy.
 201. First-principles study of solute interactions and partitioning in Ni-based superalloys.
2. Crystallographic loading directions and creep of Ni-base SXs.
3. High-Temperature creep behaviour of Ni-base superalloys using parametric climb functions in discrete...
 211. Assessing the high temperature strength of Ni-base SX.
 221. 3D dendrite growth in Ni-base SXs analyzed using microstructure informatics.
2324 251. Atomic mobilities and martensitic transformations in NiTi-based shape memory alloys with chemical gradients.
26 271. Data-driven characterization of microstructural, phase transformation and mechanical properties of bainitic...
2. Impact of defects and microstructure on the ferroelectric phase diagram: ab initio based molecular dynamics...
 281. idCarl: intelligent digital Computational advanced research laboratory.
2. Crack twin-boundary interactions in lamellar TiAl alloys.
3. Estimiating geometrically necessary dislocations from Kikuchi patterns.
4. How interfaces dictate plasticity in nanolamellar alloys: An atomistic investigation using lamellar TiAl...
5. Influence of pre-existing defects on nanoindentation: insights from atomistic simulations.
6. Macroscopic characteristics of plastic deformation described through dislocation mobility properties.
 291. Data-based characterization of metastable austenitic steels.
2. Data fusion from modeling and experiments: dislocation structures in the strain gradient of torsion.
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34 51. Data-oriented description of texture-dependent anisotropic plastic material behavior.
 61. Simulating sintering of solidstate battery materials with phase-field.
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171819202122 231. Exploring WC-based electrocatalysts for robust hydrogen evolution reaction via energy-saving method.
2425 261. Macroscopic characteristics of plastic deformation in bcc refractory metals described through dislocation...
27 281. Atomic cluster expansion for quantum-accurate simulations for carbon.
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1 21. Finite cell method and eigenerosion for the efficient simulation of ductile crack propagation through...
 31.  iBain - Intelligent-data-guided process design for fatigue-resistant steel components with bainitic microstructure.
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141516 171. Stability of dopants in BaTiO3.
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