Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Anthony D. Novaco"'
Autor:
Anthony D. Novaco
Publikováno v:
The Journal of chemical physics. 152(11)
Computations, which would have been intractable just a few years ago, are now possible on desktop workstations. Such is the case for the application of the Self-Consistent-Phonon (SCP) approximation to large monolayer clusters on structured surfaces,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ad9fc3829f0fbbad2083cbd3c95bc15
https://pubmed.ncbi.nlm.nih.gov/32199438
https://pubmed.ncbi.nlm.nih.gov/32199438
Autor:
Jessica Bavaresco, Anthony D. Novaco
Publikováno v:
The Journal of Chemical Physics. 148:144704
Molecular Dynamics simulations are reported for the structural and thermodynamic properties of submonolayer xenon adsorbed on the $(111)$ surface of platinum for temperatures up to the (apparently incipient) triple point and beyond. While the motion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea51842366c3b25dbffa57e071ab247a
https://doi.org/10.1063/1.5024027
https://doi.org/10.1063/1.5024027
Autor:
Anthony D. Novaco
Publikováno v:
Physical Review B. 92
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::467acd2e11ea0d95a4f2a96c442bf50f
https://doi.org/10.1103/physrevb.92.186301
https://doi.org/10.1103/physrevb.92.186301
Publikováno v:
Physical Review B. 91
Simulation evidence of an incipient triple point is reported for xenon submonolayers adsorbed on the (111) surface of platinum. This is in stark contrast to the "normal" triple point found in simulations and experiments for xenon on the basal plane s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ff5e7c7923a2b436cc7d7224fccf3d4
https://doi.org/10.1103/physrevb.91.161412
https://doi.org/10.1103/physrevb.91.161412
Autor:
Anthony D. Novaco, Ludwig W. Bruch
Publikováno v:
Physical Review B. 61:5786-5792
The anharmonic frequency shifts of the phonons in monolayer solids of Ar/Pt~111! and commensurate Xe/Pt~111! are calculated with quasiharmonic perturbation theory and with self-consistent-phonon theory. Results from the two methods are in good agreem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4616d298f49c95737000d81b11c56050
https://doi.org/10.1103/physrevb.61.5786
https://doi.org/10.1103/physrevb.61.5786
Autor:
Renee D. Diehl, A. K. Schmid, Heekeun Shin, S. E. O'donnell, H. I. Li, Nicola Ferralis, P. Reinke, Anthony D. Novaco, Ludwig W. Bruch
Publikováno v:
Physical Review B. 82
Heekeun Shin,1 S. E. O’Donnell,2,* P. Reinke,2 N. Ferralis,3 A. K. Schmid,4 H. I. Li,1 A. D. Novaco,5 L. W. Bruch,6 and R. D. Diehl1 1Department of Physics, Penn State University, University Park, Pennsylvania 16802, USA 2Department of Materials Sc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f10f380c094ae413c88c4d6e9d50002b
https://doi.org/10.1103/physrevb.82.235427
https://doi.org/10.1103/physrevb.82.235427
Autor:
Anthony D. Novaco
Publikováno v:
Physical Review B. 46:8178-8194
A self-consistent-phonon approximation was used to calculate the ground-state properties and phonon density of states for the square-root 3 x square-root 3 R 30-degrees commensurate phase of monolayer H-2, HD, and D2 adsorbed on graphite. The adsorbe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef5de2759ac3123c94a4f96f81a1b407
https://doi.org/10.1103/physrevb.46.8178
https://doi.org/10.1103/physrevb.46.8178
Autor:
Anthony D. Novaco, Ludwig W. Bruch
Publikováno v:
Physical Review B. 77
A stability analysis based on model calculations of the grand potential finds that the transition from hexagonal incommensurate to commensurate monolayer solid of xenon/graphite is continuous with increasing pressure, in agreement with experimental o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::68c5508f38f66fc5e5d3e527c17dae89
https://doi.org/10.1103/physrevb.77.125435
https://doi.org/10.1103/physrevb.77.125435
Autor:
J. P. McTague, Anthony D. Novaco
Publikováno v:
Physical Review B. 20:2469-2474
The dynamical coupling between a solid monolayer film of argon and a substrate of graphite is examined for its effect upon the inelastic neutron scattering from the combined system. A sim ple model is used to describe the coupled system and the pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09d9e0472b39dfef55899c8b7d48d663
https://doi.org/10.1103/physrevb.20.2469
https://doi.org/10.1103/physrevb.20.2469
Autor:
Anthony D. Novaco
Publikováno v:
Physical Review A. 8:3065-3070
A theoretical calculation of the chemical potential, spreading pressure, and inverse compressibility at O"K is reported for He4 adsorbed on a graphite-like substrate for monolayer densities of 0.10 to 0.13 A -2. These functions are obtained from a gr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7282087dbbc6e15b260809d1d0f5e9df
https://doi.org/10.1103/physreva.8.3065
https://doi.org/10.1103/physreva.8.3065