A. A. R. Wilmes
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View article: Development of a multi-physics molecular dynamics finite element method for the virtual engineering design of nano-structures
Development of a multi-physics molecular dynamics finite element method for the virtual engineering design of nano-structures Open
The rise of technologically promising two-dimensional materials, particularly graphene, has further accelerated the already fast-paced progress in nano-synthesis techniques across all scales. While single atom devices are controllably manu…
View article: A coupled mechanical‐charge/dipole molecular dynamics finite element method, with multi‐scale applications to the design of graphene nano‐devices
A coupled mechanical‐charge/dipole molecular dynamics finite element method, with multi‐scale applications to the design of graphene nano‐devices Open
SUMMARY A new Molecular Dynamics Finite Element Method (MDFEM) with a coupled mechanical‐charge/dipole formulation is proposed. The equilibrium equations of Molecular Dynamics (MD) are embedded exactly within the computationally more favou…
View article: A Molecular Dynamics derived Finite Element Method for Structural Simulations and Failure of Graphene Nanocomposites
A Molecular Dynamics derived Finite Element Method for Structural Simulations and Failure of Graphene Nanocomposites Open
The recent rise of 2D materials, such as graphene, has expanded the interest in nano-electromechanical systems (NEMS). The increasing ability of synthesizing more exotic NEMS architectures, creates a growing need for a cost-effective, yet …