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Molecular Dynamics simulations of track formation at different ensembles
(2013-01-01)
A series of Molecular Dynamics simulations of thermal spikes has been run in zircon. For two different ensembles: microcanonical one and a combination of microcanonical one acting on the simulation core with Langevin one ...
Molecular Dynamics simulations of track formation at different ensembles
(2013-01-01)
A series of Molecular Dynamics simulations of thermal spikes has been run in zircon. For two different ensembles: microcanonical one and a combination of microcanonical one acting on the simulation core with Langevin one ...
Membrane Based Water Treatment: Insight from Molecular Dynamics Simulations
(Taylor & Francis, 2022)
The global demand for clean and potable water continuously increased due to expanding population and pollution. Water contamination by anionic compounds, heavy metals, and other pollutants is growing globally and needs to ...
Membrane Based Water Treatment: Insight from Molecular Dynamics Simulations
(Taylor and Francis, 2023)
The global demand for clean and potable water continuously increased due to expanding population and pollution. Water contamination by anionic compounds, heavy metals, and other pollutants is growing globally and needs to ...
Synthesis, characterization and molecular dynamics simulation of dendronized poly(3,5-diphthalimidoalkylphenyl methacrylate)s
(Instytut Chemii Przemyslowej, 2016)
On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations
(2013-01-01)
Unzipping carbon nanotubes (CNTs) is considered one of the most promising approaches for the controlled and large-scale production of graphene nanoribbons (GNR). These structures are considered of great importance for the ...
On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations
(2013-01-01)
Unzipping carbon nanotubes (CNTs) is considered one of the most promising approaches for the controlled and large-scale production of graphene nanoribbons (GNR). These structures are considered of great importance for the ...