Solid-liquid interface free energy through metadynamics simulations
about
Metadynamics studies of crystal nucleationDirect calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation.Salting out the polar polymorph: analysis by alchemical solvent transformation.Extraction of effective solid-liquid interfacial free energies for full 3D solid crystallites from equilibrium MD simulations.Step free energies at faceted solid-liquid interfaces from equilibrium molecular dynamics simulations.The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit.Crystallization tendencies of modelled Lennard-Jones liquids with different attractions.Bridging the gap between atomistic and macroscopic models of homogeneous nucleation.Thermodynamic and kinetic solid-liquid interface properties from transition path sampling.Simulations: The dark side
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Solid-liquid interface free energy through metadynamics simulations
description
article
@en
im März 2010 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в березні 2010
@uk
name
Solid-liquid interface free energy through metadynamics simulations
@en
Solid-liquid interface free energy through metadynamics simulations
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type
label
Solid-liquid interface free energy through metadynamics simulations
@en
Solid-liquid interface free energy through metadynamics simulations
@nl
prefLabel
Solid-liquid interface free energy through metadynamics simulations
@en
Solid-liquid interface free energy through metadynamics simulations
@nl
P2860
P1433
P1476
Solid-liquid interface free energy through metadynamics simulations
@en
P2093
Mike W. Finnis
Stefano Angioletti-Uberti
P2860
P356
10.1103/PHYSREVB.81.125416
P407
P577
2010-03-16T00:00:00Z