Quantum kinetic energy densities: An operational approach

We propose and investigate a procedure to measure, at least in principle, a positive quantum version of the local kinetic energy density. This procedure is based, under certain idealized limits, on the detection rate of photons emitted by moving atoms which are excited by a localized laser beam. The same type of experiment, but in different limits, can also provide other non positive-definite versions of the kinetic energy density. A connection with quantum arrival time distributions is discussed.Comment: 13 pages, 1 figure

Polarization and Charge Transfer in the Hydration of Chloride Ions

A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular dynamics simulations of a single chloride ion in bulk water. The simulations utilize the polarizable AMOEBA force field for trajectory generation, and MP2-level calculations are performed to examine the electronic structure properties of the ions and surrounding waters in the external field of more distant waters. The ChelpG method is employed to explore the effective charges and dipoles on the chloride ions and first-shell waters. The Quantum Theory of Atoms in Molecules (QTAIM) is further utilized to examine charge transfer from the anion to surrounding water molecules. From the QTAIM analysis, 0.2 elementary charges are transferred from the ion to the first-shell water molecules. The default AMOEBA model overestimates the average dipole moment magnitude of the ion compared with the estimated quantum mechanical value. The average magnitude of the dipole moment of the water molecules in the first shell treated at the MP2 level, with the more distant waters handled with an AMOEBA effective charge model, is 2.67 D. This value is close to the AMOEBA result for first-shell waters (2.72 D) and is slightly reduced from the bulk AMOEBA value (2.78 D). The magnitude of the dipole moment of the water molecules in the first solvation shell is most strongly affected by the local water-water interactions and hydrogen bonds with the second solvation shell, rather than by interactions with the ion.Comment: Slight revision, in press at J. Chem. Phy

Regression of murine lung tumors by the let-7 microRNA.

MicroRNAs (miRNAs) have recently emerged as an important new class of cellular regulators that control various cellular processes and are implicated in human diseases, including cancer. Here, we show that loss of let-7 function enhances lung tumor formation in vivo, strongly supporting the hypothesis that let-7 is a tumor suppressor. Moreover, we report that exogenous delivery of let-7 to established tumors in mouse models of non-small-cell lung cancer (NSCLC) significantly reduces the tumor burden. These results demonstrate the therapeutic potential of let-7 in NSCLC and point to miRNA replacement therapy as a promising approach in cancer treatment

Development of a new laser Doppler velocimeter for the Ames High Reynolds Channel No. 2

A new two-channel laser Doppler velocimeter developed for the Ames High Reynolds Channel No. 2 is described. Design features required for the satisfactory operation of the optical system in the channel environment are discussed. Fiber optics are used to transmit the megahertz Doppler signal to the photodetectors located outside the channel pressure vessel, and provision is made to isolate the optical system from pressure and thermal strain effects. Computer-controlled scanning mirrors are used to position the laser beams in the channel flow. Techniques used to seed the flow with 0.5-micron-diam polystyrene spheres avoiding deposition on the test-section windows and porous boundary-layer removal panels are described. Preliminary results are presented with a discussion of several of the factors affecting accuracy

Understanding the Clean Interface between Covalent Si and Ionic Al2O3

The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly developed "modified basin-hopping" method. It is found that all interface Si atoms are fourfold coordinated due to the formation of Si-O and unexpected covalent Si-Al bonds in the new abrupt interface model. And the interface has perfect electronic properties in that the unpassivated interface has a large LDA band gap and no gap levels. These results show that it is possible to have clean semiconductor-oxide interfaces

Unanticipated proximity behavior in ferromagnet-superconductor heterostructures with controlled magnetic noncollinearity

Magnetization noncollinearity in ferromagnet-superconductor (F/S) heterostructures is expected to enhance the superconducting transition temperature (Tc) according to the domain-wall superconductivity theory, or to suppress Tc when spin-triplet Cooper pairs are explicitly considered. We study the proximity effect in F/S structures where the F layer is a Sm-Co/Py exchange-spring bilayer and the S layer is Nb. The exchange-spring contains a single, controllable and quantifiable domain wall in the Py layer. We observe an enhancement of superconductivity that is nonmonotonic as the Py domain wall is increasingly twisted via rotating a magnetic field, different from theoretical predictions. We have excluded magnetic fields and vortex motion as the source of the nonmonotonic behavior. This unanticipated proximity behavior suggests that new physics is yet to be captured in the theoretical treatments of F/S systems containing noncollinear magnetization.Comment: 17 pages, 4 figures. Physical Review Letters in pres

Fully-dynamic Approximation of Betweenness Centrality

Betweenness is a well-known centrality measure that ranks the nodes of a network according to their participation in shortest paths. Since an exact computation is prohibitive in large networks, several approximation algorithms have been proposed. Besides that, recent years have seen the publication of dynamic algorithms for efficient recomputation of betweenness in evolving networks. In previous work we proposed the first semi-dynamic algorithms that recompute an approximation of betweenness in connected graphs after batches of edge insertions. In this paper we propose the first fully-dynamic approximation algorithms (for weighted and unweighted undirected graphs that need not to be connected) with a provable guarantee on the maximum approximation error. The transfer to fully-dynamic and disconnected graphs implies additional algorithmic problems that could be of independent interest. In particular, we propose a new upper bound on the vertex diameter for weighted undirected graphs. For both weighted and unweighted graphs, we also propose the first fully-dynamic algorithms that keep track of such upper bound. In addition, we extend our former algorithm for semi-dynamic BFS to batches of both edge insertions and deletions. Using approximation, our algorithms are the first to make in-memory computation of betweenness in fully-dynamic networks with millions of edges feasible. Our experiments show that they can achieve substantial speedups compared to recomputation, up to several orders of magnitude

The effect of Coulomb interaction at ferromagnetic-paramagnetic metallic perovskite junctions

We study the effect of Coulomb interactions in transition metal oxides junctions. In this paper we analyze charge transfer at the interface of a three layer ferromagnetic-paramagnetic-ferromagnetic metallic oxide system. We choose a charge model considering a few atomic planes within each layer and obtain results for the magnetic coupling between the ferromagnetic layers. For large number of planes in the paramagnetic spacer we find that the coupling oscillates with the same period as in RKKY but the amplitude is sensitive to the Coulomb energy. At small spacer thickness however, large differences may appear as function of : the number of electrons per atom in the ferromagnetics and paramagnetics materials, the dielectric constant at each component, and the charge defects at the interface plane emphasizing the effects of charge transfer.Comment: tex file and 7 figure