Magnesium interatomic potential for simulating plasticity and fracture phenomena
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Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...
Dislocation multiplication in plasticity research is often connected to the picture of a Frank-Read source. Although it is known that this picture is not applicable after easy glide deformation, plasticity theories often assume Frank-Read-type models for d ...
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Metallic lithium and sodium are actively investigated as anodes for all solid-state batteries. While the mechanical properties of Li and Na remain poorly understood, there is a growing consensus that they play a crucial role in determining the integrity of ...
Mg and Ti alloys are attractive materials for structural applications in the transportation and biomedical industries due to their high strength-to-weight ratios. However, due to their hexagonally close-packed (HCP) lattice structure, they exhibit poor for ...
Capturing plasticity at realistic dislocation densities with high configurational complexity requires a continuum-level discrete dislocation dynamics (DDD) description. However, many features controlling dislocation motion are inherently atomistic, such as ...
Hydrogen ingress into a metal is a persistent source of embrittlement. Fracture surfaces are often intergranular, suggesting favorable cleave crack growth along grain boundaries (GBs) as one driver for embrittlement. Here, atomistic simulations are used to ...
Plastic deformation in elemental BCC metals and dilute alloys is controlled by the slower of the kink pair nucleation and kink migration processes along screw dislocations. In alloys nucleation is facilitated and migration inhibited, leading to a concentra ...
During the last decades, as usages of Nano- and Micro-Electro-Mechanical Systems (MEMS and NEMS) increase significantly, it becomes necessary to understand performances (e.g. strength and ductility) of small-scaled materials. In such small scales, dislocat ...
Capturing plasticity at realistic dislocation densities with high configurational complexity requires a continuum-leveldiscrete dislocation dynamics (DDD) description. However, many features controlling dislocation motion areinherently atomistic, such as t ...
