Absence of simulation evidence for critical depletion in slit-pores

Recent Monte Carlo simulation studies of a Lennard-Jones fluid confined to a mesoscopic slit-pore have reported evidence for ``critical depletion'' in the pore local number density near the liquid-vapour critical point. In this note we demonstrate that the observed depletion effect is in fact a simulation artifact arising from small systematic errors associated with the use of long range corrections for the potential truncation. Owing to the large near-critical compressibility, these errors lead to significant changes in the pore local number density. We suggest ways of avoiding similar problems in future studies of confined fluids.Comment: 4 pages Revtex. Submitted to J. Chem. Phy

The Jang equation reduction of the spacetime positive energy theorem in dimensions less than eight

We extend the Jang equation proof of the positive energy theorem due to R. Schoen and S.-T. Yau from dimension $n=3$ to dimensions $3 \leq n <8$. This requires us to address several technical difficulties that are not present when $n=3$. The regularity and decay assumptions for the initial data sets to which our argument applies are weaker than those of R. Schoen and S.-T. Yau. In recent joint work with L.-H. Huang, D. Lee, and R. Schoen we have given a different proof of the full positive mass theorem in dimensions $3 \leq n < 8$. We pointed out that this theorem can alternatively be derived from our density argument and the positive energy theorem of the present paper.Comment: All comments welcome! Final version to appear in Comm. Math. Phy

A generalization of Hawking's black hole topology theorem to higher dimensions

Hawking's theorem on the topology of black holes asserts that cross sections of the event horizon in 4-dimensional asymptotically flat stationary black hole spacetimes obeying the dominant energy condition are topologically 2-spheres. This conclusion extends to outer apparent horizons in spacetimes that are not necessarily stationary. In this paper we obtain a natural generalization of Hawking's results to higher dimensions by showing that cross sections of the event horizon (in the stationary case) and outer apparent horizons (in the general case) are of positive Yamabe type, i.e., admit metrics of positive scalar curvature. This implies many well-known restrictions on the topology, and is consistent with recent examples of five dimensional stationary black hole spacetimes with horizon topology $S^2 \times S^1$. The proof is inspired by previous work of Schoen and Yau on the existence of solutions to the Jang equation (but does not make direct use of that equation).Comment: 8 pages, latex2e, references updated, minor corrections, to appear in Communications in Mathematical Physic

Existence, Regularity, and Properties of Generalized Apparent Horizons

We prove a conjecture of Tom Ilmanen's and Hubert Bray's regarding the existence of the outermost generalized apparent horizon in an initial data set and that it is outer area minimizing.Comment: 16 pages, thoroughly revised, no major changes, to appear in Comm. Math. Phy

Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. II. The interplay between molecular packing and orientational order

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 149, 054704 (2018) and may be found at https://doi.org/10.1063/1.5040934.As in Paper I of this series of papers [S. M. Cattes et al., J. Chem. Phys. 144, 194704 (2016)], we study a Heisenberg fluid confined to a nanoscopic slit pore with smooth walls. The pore walls can either energetically discriminate specific orientations of the molecules next to them or are indifferent to molecular orientations. Unlike in Paper I, we employ a version of classical density functional theory that allows us to explicitly account for the stratification of the fluid (i.e., the formation of molecular layers) as a consequence of the symmetry-breaking presence of the pore walls. We treat this stratification within the White Bear version (Mark I) of fundamental measure theory. Thus, in this work, we focus on the interplay between local packing of the molecules and orientational features. In particular, we demonstrate why a critical end point can only exist if the pore walls are not energetically discriminating specific molecular orientations. We analyze in detail the positional and orientational order of the confined fluid and show that reorienting molecules across the pore space can be a two-dimensional process. Last but not least, we propose an algorithm based upon a series expansion of Bessel functions of the first kind with which we can solve certain types of integrals in a very efficient manner.DFG, 65143814, GRK 1524: Self-Assembled Soft-Matter Nanostructures at Interface

Mean-field density functional theory of ananoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecularanchoring

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 144, 194704 (2016) and may be found at https://doi.org/10.1063/1.4949330.In this work, we employ classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence. To model the distance dependence of the attractions, we employ a Yukawa potential. The orientation dependence is realized through anchoring of molecules at the substrates, i.e., an energetic discrimination of specific molecular orientations. If the walls are hard or attractive without specific anchoring, the results are “quasi-bulk”-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases, the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases.DFG, 65143814, GRK 1524: Self-Assembled Soft-Matter Nanostructures at Interface