@string{JCP={J. Chem. Phys.}} @string{JPC={J. Phys. Chem.}} @string{JPCB={J. Phys. Chem. B}} @string{PRL={Phys. Rev. Lett.}} @string{PRB={Phys. Rev. B}} @string{PRE={Phys. Rev. E}} %%% The classics: @Article{CWT, title = {Interfacial Density Profile for Fluids in the Critical Region}, author = {Buff, F P and Lovett, R A and Stillinger, F H}, journal = PRL, volume = {15}, number = {15}, pages = {621--623}, year = {1965}, month = {Oct}, doi = {10.1103/PhysRevLett.15.621}, publisher = {American Physical Society} } @book{MolThCap, author= "J S Rowlinson and Benjamin Widom", title= "Molecular Theory of Capillarity", publisher="Dover", year=2002 } %%% ISS method: @Article{Chacon_Tarazona_2003, title = {Intrinsic Profiles beyond the Capillary Wave Theory: A Monte Carlo Study}, author = {Chac\'on, E and Tarazona, P }, journal = PRL, volume = {91}, number = {16}, pages = {166103}, year = {2003}, month = {Oct}, doi = {10.1103/PhysRevLett.91.166103}, publisher = {American Physical Society} } @article{Chacon_Tarazona_2004, author = {P Tarazona and E Chac{\'o}n}, collaboration = {}, title = {Monte Carlo intrinsic surfaces and density profiles for liquid surfaces}, publisher = {APS}, year = {2004}, journal = PRB, volume = {70}, number = {23}, eid = {235407}, pages = {235407}, keywords = {Monte Carlo methods; liquid metals; capillary waves; X-ray reflection; fluctuations; surface tension; density}, doi = {10.1103/PhysRevB.70.235407} } @article{Chacon_Tarazona_2005, author={Enrique Chac\'{o}n and Pedro Tarazona}, title={Characterization of the intrinsic density profiles for liquid surfaces}, journal={J. Phys.: Cond. Matter}, volume={17}, number={45}, pages={S3493-S3498}, year={2005}, abstract={This paper presents recent advances in the characterization of the intrinsic structures in computer simulations of liquid surfaces. The use of operational definitions for the intrinsic surface, associated with each molecular configuration of a liquid slab, gives direct access to the intrinsic profile and to the wavevector dependent surface tension. However, the characteristics of these functions depend on the definition used for the intrinsic surface. We discuss the pathologies associated with a local Gibbs dividing surface definition, and consider the alternative definition of a minimal area surface, going though a set of surface pivots, self-consistently chosen to represent the first liquid layer.} } @article{Chacon_Tarazona_Gonzalez_2006, author = {E Chac{\'o}n and P Tarazona and L E Gonz{\'a}lez}, collaboration = {}, title = {Intrinsic structure of the free liquid surface of an alkali metal}, publisher = {APS}, year = {2006}, journal = PRB, volume = {74}, number = {22}, eid = {224201}, pages = {224201}, keywords = {lithium; sodium; potassium; liquid metals; ab initio calculations; density; capillary waves; fluctuations; X-ray reflection; liquid structure; molecular dynamics method; conduction bands}, doi = {10.1103/PhysRevB.74.224201} } @article{Chacon_Tarazona_Alejandre_2006, author = {Enrique Chac{\'o}n and Pedro Tarazona and Jos{\'e} Alejandre}, collaboration = {}, title = {The intrinsic structure of the water surface}, publisher = {AIP}, year = {2006}, journal = JCP, volume = {125}, number = {1}, eid = {014709}, pages = {014709}, keywords = {water; liquid structure; surface structure; molecular dynamics method; capillary waves; interface phenomena}, doi = {10.1063/1.2209681} } @article{Tarazona_Checa_Chacon_2007, title = {Critical analysis of the density functional theory prediction of enhanced capillary waves}, author = {P Tarazona and Ramiro Checa and Enrique Chac{\'o}n }, journal = PRL, volume = {99}, pages = {196101}, year = {2007} } @Article{Duque_Tarazona_Chacon_2008, title = {Diffusion at the liquid-vapor interface}, author = {Daniel Duque and Enrique Chac{\'o}n and P Tarazona }, journal = JCP, volume = {128}, number = {13}, pages = {134704}, year = {2008}, } @article{Bresme_Chacon_Tarazona_Tay_2008, author = {Fernando Bresme and Enrique Chac\'{o}n and Pedro Tarazona and Kafui Tay}, title = {Intrinsic Structure of Hydrophobic Surfaces: The Oil-Water Interface}, publisher = {APS}, year = {2008}, journal = {Physical Review Letters}, volume = {101}, number = {5}, eid = {056102}, numpages = {4}, pages = {056102}, url = {http://link.aps.org/abstract/PRL/v101/e056102}, doi = {10.1103/PhysRevLett.101.056102} } @article{Bresme_Chacon_Tarazona_2008, author = {Fernando Bresme and Enrique Chac\'{o}n and Pedro Tarazona}, title = {Molecular dynamics investigation of the intrinsic structure of water–fluid interfaces via the intrinsic sampling method}, year = {2008}, journal = PCCP, volume = {10}, pages = {4704 - 4715}, doi = {10.1039/b807437m} } @misc{Chacon_Duque_Tarazona_0000, author = "E Chac{\'o}n and D Duque and P Tarazona", title="The occupation of the outmost layer of the liquid surfaces: a kinetic analysis", howpublished = "to be published" } %%% Previous, related work that showed layering in the average profile: @article{Chacon_Reinaldo_Velasco_Tarazona_2001, title = {Layering at Free Liquid Surfaces}, author = {Chac\'on, E and Reinaldo-Falag\'an, M and Velasco, E and Tarazona, P }, journal = PRL, volume = {87}, number = {16}, pages = {166101}, year = {2001}, month = {Sep}, doi = {10.1103/PhysRevLett.87.166101}, publisher = {American Physical Society} } @article{Velasco_Tarazona_Reinaldo_Chacon_2002, author = {E Velasco and P Tarazona and M Reinaldo-Falag{\'a}n and E Chac{\'o}n}, collaboration = {}, title = {Low melting temperature and liquid surface layering for pair potential models}, publisher = {AIP}, year = {2002}, journal = JCP, volume = {117}, number = {23}, pages = {10777-10788}, keywords = {potential energy functions; melting; liquid-vapour transformations}, doi = {10.1063/1.1521160} }