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Molecular dynamics and Monte Carlo simulations of the sputtering of a nanoporous solid
(Elsevier, 2013-06-01)
We calculate the sputtering induced on a nanoporous material by fast penetrating ions, such as those used for track formation and surface modification, in order to better understand and quantify the ejection and redeposition ...
Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation
(2013-02-07)
Carbon nanoscrolls (graphene layers rolled up into papyrus-like tubular structures) are nanostructures with unique and interesting characteristics that could be exploited to build several new nanodevices. However, an ...
Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation
(2013-02-07)
Carbon nanoscrolls (graphene layers rolled up into papyrus-like tubular structures) are nanostructures with unique and interesting characteristics that could be exploited to build several new nanodevices. However, an ...
Diffusion of Pd clusters on Pd(111) surfaces: a molecular dynamics study
(Elsevier Science BvAmsterdamHolanda, 2000)
Atomistic simulation of single crystal copper nanowires under tensile stress: Influence of silver impurities in the emission of dislocations
(Elsevier, 2014)
The transition from elastic to plastic behaviour in single crystal copper nanowires under uniaxial tensile
stress at different concentrations of silver (0.0–0.5 at.% Ag) and at different temperatures (0.1, 100, and
300 ...
Penetration scaling in atomistic simulations of hypervelocity impact
(Elsevier, 2010-11)
We present atomistic molecular dynamics simulations of the impact of copper nano particles at 5 km s 1 on copper films ranging in thickness from from 0.5 to 4 times the projectile diameter. We access both penetration and ...
Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation
(Taylor & Francis LtdAbingdonInglaterra, 2010)
Structured and Unstructured Binding of an Intrinsically Disordered Protein as Revealed by Atomistic Simulations
(American Chemical Society, 2016-06)
Intrinsically disordered proteins (IDPs) are a set of proteins that lack a definite secondary structure in solution. IDPs can acquire tertiary structure when bound to their partners; therefore, the recognition process must ...