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pro vyhledávání: '"Evans, Robert P"'
Fundamental Measure Theory (FMT) is a successful and versatile approach for describing the properties of the hard-sphere fluid and hard-sphere mixtures within the framework of classical density functional theory (DFT). Lutsko [Phys. Rev. E 102, 06213
Externí odkaz:
http://arxiv.org/abs/2409.01750
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated interfacial
Externí odkaz:
http://arxiv.org/abs/2408.15835
Measurements of local density fluctuations are crucial to characterizing the interfacial properties of equilibrium fluids. A specific case that has been well-explored involves the heightened compressibility of water near hydrophobic entities. Commonl
Externí odkaz:
http://arxiv.org/abs/2402.05692
Let $A/\mathbb{Q}$ be a Jacobian variety and let $F$ be a totally real, tamely ramified, abelian number field. Given a character $\psi$ of $F/\mathbb{Q}$, Deligne's Period Conjecture asserts the algebraicity of the suitably normalised value $\mathcal
Externí odkaz:
http://arxiv.org/abs/2302.10044
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
Externí odkaz:
http://arxiv.org/abs/2212.04967
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
Externí odkaz:
http://arxiv.org/abs/2203.11539
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
Externí odkaz:
http://arxiv.org/abs/2201.02427
Autor:
McCarty, Ryan J., Perchak, Dennis, Pederson, Ryan, Evans, Robert, Qiu, Yiheng, White, Steven R., Burke, Kieron
Publikováno v:
Phys. Rev. Lett. 125, 266401 (2020)
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calculations of conditional probabilities (CP-DFT). Simple CP approximation
Externí odkaz:
http://arxiv.org/abs/2007.01890
Publikováno v:
PNAS 201913587 (2019)
Clarifying the factors that control the contact angle of a liquid on a solid substrate is a long-standing scientific problem pertinent across physics, chemistry and materials science. Progress has been hampered by the lack of a comprehensive and unif
Externí odkaz:
http://arxiv.org/abs/1910.06812
We re-visit the competition between attractive and repulsive interparticle forces in simple fluids and how this governs and connects the macroscopic phase behavior and structural properties as manifest in pair correlation functions. We focus on the a
Externí odkaz:
http://arxiv.org/abs/1906.02948