On the role of physisorption states in molecular scattering: A semi-local density-functional theory study on O2/Ag(111)

We simulate the scattering of O$_2$ from Ag(111) with classical dynamics simulations performed on a six-dimensional potential energy surface calculated within semi-local density-functional theory (DFT). The enigmatic experimental trends that originally required the conjecture of two types of repulsive walls, arising from a physisorption and chemisorption part of the interaction potential, are fully reproduced. Given the inadequate description of the physisorption properties in semi-local DFT, our work casts severe doubts on the prevalent notion to use molecular scattering data as indirect evidence for the existence of such states.Comment: 5 pages, 4 figure

Natural antisense transcripts with coding capacity in Arabidopsis may have a regulatory role that is not linked to double-stranded RNA degradation

BACKGROUND: Overlapping transcripts in antisense orientation have the potential to form double-stranded RNA (dsRNA), a substrate for a number of different RNA-modification pathways. One prominent route for dsRNA is its breakdown by Dicer enzyme complexes into small RNAs, a pathway that is widely exploited by RNA interference technology to inactivate defined genes in transgenic lines. The significance of this pathway for endogenous gene regulation remains unclear. RESULTS: We have examined transcription data for overlapping gene pairs in Arabidopsis thaliana. On the basis of an analysis of transcripts with coding regions, we find the majority of overlapping gene pairs to be convergently overlapping pairs (COPs), with the potential for dsRNA formation. In all tissues, COP transcripts are present at a higher frequency compared to the overall gene pool. The probability that both the sense and antisense copy of a COP are co-transcribed matches the theoretical value for coexpression under the assumption that the expression of one partner does not affect the expression of the other. Among COPs, we observe an over-representation of spliced (intron-containing) genes (90%) and of genes with alternatively spliced transcripts. For loci where antisense transcripts overlap with sense transcript introns, we also find a significant bias in favor of alternative splicing and variation of polyadenylation. CONCLUSION: The results argue against a predominant RNA degradation effect induced by dsRNA formation. Instead, our data support alternative roles for dsRNAs. They suggest that at least for a subgroup of COPs, antisense expression may induce alternative splicing or polyadenylation

Mechanical properties of polycrystalline graphene based on a realistic atomistic model

Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic simulations, and apply it for studying their mechanical properties. We show that cracks initiate at points where grain boundaries meet and then propagate through grains predominantly in zigzag or armchair directions, in agreement with recent experimental work. Contrary to earlier theoretical predictions, we observe normally distributed intrinsic strength (~ 50% of that of the mono-crystalline graphene) and failure strain which do not depend on the misorientation angles between the grains. Extrapolating for grain sizes above 15 nm results in a failure strain of ~ 0.09 and a Young's modulus of ~ 600 GPa. The decreased strength can be adequately explained with a conventional continuum model when the grain boundary meeting points are identified as Griffith cracks.Comment: Accepted for Physical Review B; 5 pages, 4 figure

Acoustical evaluation of the NASA Langley full-scale wind tunnel

Determining types of acoustical measurements suitable for test section of NASA Langley wind tunne

Harnack Inequality and Regularity for a Product of Symmetric Stable Process and Brownian Motion

In this paper, we consider a product of a symmetric stable process in $\mathbb{R}^d$ and a one-dimensional Brownian motion in $\mathbb{R}^+$. Then we define a class of harmonic functions with respect to this product process. We show that bounded non-negative harmonic functions in the upper-half space satisfy Harnack inequality and prove that they are locally H\"older continuous. We also argue a result on Littlewood-Paley functions which are obtained by the $\alpha$-harmonic extension of an $L^p(\mathbb{R}^d)$ function.Comment: 23 page

Two-temperature coronal flow above a thin disk

We extended the disk corona model (Meyer & Meyer-Hofmeister 1994; Meyer, Liu, & Meyer-Hofmeister 2000a) to the inner region of galactic nuclei by including different temperatures in ions and electrons as well as Compton cooling. We found that the mass evaporation rate and hence the fraction of accretion energy released in the corona depend strongly on the rate of incoming mass flow from outer edge of the disk, a larger rate leading to more Compton cooling, less efficient evaporation and a weaker corona. We also found a strong dependence on the viscosity, higher viscosity leading to an enhanced mass flow in the corona and therefore more evaporation of gas from the disk below. If we take accretion rates in units of the Eddington rate our results become independent on the mass of the central black hole. The model predicts weaker contributions to the hard X-rays for objects with higher accretion rate like narrow-line Seyfert 1 galaxies (NLS1s), in agreement with observations. For luminous active galactic nuclei (AGN) strong Compton cooling in the innermost corona is so efficient that a large amount of additional heating is required to maintain the corona above the thin disk.Comment: 17 pages, 6 figures. ApJ accepte