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pro vyhledávání: '"Mary K. Coe"'
Simulations of water near extended hydrophobic spherical solutes have revealed the presence of a region of depleted density and accompanying enhanced density fluctuations.The physical origin of both phenomena has remained somewhat obscure. We investi
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https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee607efac371456c90c1ca2ede615286
http://arxiv.org/abs/2212.04967
http://arxiv.org/abs/2212.04967
Publikováno v:
Physical Review E. 105
We investigate density fluctuations in a liquid close to a solvophobic substrate at which a surface critical drying transition occurs. Using classical density functional theory, we determine three measures of the spatial extent and strength of the fl
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https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f029f3e38f3e908c44679e788d151c4d
https://doi.org/10.1103/physreve.105.044801
https://doi.org/10.1103/physreve.105.044801
Publikováno v:
Coe, M K, Evans, R & Wilding, N B 2022, ' Density depletion and enhanced fluctuations in water near hydrophobic solutes: identifying the underlying physics ', Physical Review Letters, vol. 128, no. 4, 045501 . https://doi.org/10.1103/PhysRevLett.128.045501
We investigate the origin of the density depletion and enhanced density fluctuations that occur in water in the vicinity of an extended hydrophobic solute. We argue that both phenomena are remnants of the critical drying surface phase transition that
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https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a22bdde982db2162332051c07775f1bb
Publikováno v:
Coe, M K, Evans, R & Wilding, N B 2022, ' The coexistence curve and surface tension of a monatomic water model ', Journal of Chemical Physics, vol. 156, no. 15, 154505 . https://doi.org/10.1063/5.0085252
We study the monatomic water model of Molinero and Moore the grand canonical ensemble Monte Carlo simulation. Measurements of the probability distribution of the number density obtained via multicanonical sampling and histogram reweighting provide ac
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https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb144e0c92d298958557114ad11206ae
https://doi.org/10.1063/5.0085252
https://doi.org/10.1063/5.0085252
Autor:
Alison B. Walker, Claudio Zannoni, Mary K. Coe, Matteo Ricci, Ian R. Thompson, Otello Maria Roscioni
Publikováno v:
Liquid Crystals
We study the charge transport properties of a system of liquid crystal discotic molecules in two distinct phases. To differentiate between the two phases, we use a self-consistent model that describes the pairwise interaction between molecules, the e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6cbab91939f30911afde33a9bf40333b
Autor:
Matteo Ricci, Alison B. Walker, Claudio Zannoni, Otello Maria Roscioni, Ian R. Thompson, Mary K. Coe
Publikováno v:
Thompson, I R, Coe, M K, Walker, A B, Ricci, M, Roscioni, O M & Zannoni, C 2018, ' Microscopic origins of charge transport in triphenylene systems ', Physical Review Materials, vol. 2, no. 6, 064601 . https://doi.org/10.1103/PhysRevMaterials.2.064601
Physical Review Materials
Physical Review Materials
We study the effects of molecular ordering on charge transport at the mesoscale level in a layer of $\ensuremath{\approx}9000$ hexa-octyl-thio-triphenylene discotic mesogens with dimensions of $\ensuremath{\approx}20\ifmmode\times\else\texttimes\fi{}
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https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f658397cc1390341a4374f295e81eed0