7,954 research outputs found
Factors influencing the distribution of charge in polar nanocrystals
We perform first-principles calculations of wurtzite GaAs nanorods to explore
the factors determining charge distributions in polar nanostructures. We show
that both the direction and magnitude of the dipole moment of a
nanorod, and its electic field, depend sensitively on how its surfaces are
terminated and do not depend strongly on the spontaneous polarization of the
underlying lattice. We identify two physical mechanisms by which
is controlled by the surface termination, and we show that the excess charge on
the nanorod ends is not strongly localized. We discuss the implications of
these results for tuning nanocrystal properties, and for their growth and
assembly.Comment: Accepted for publication in Phys. Rev. B Rapid Communication
Algorithmic aspects of disjunctive domination in graphs
For a graph , a set is called a \emph{disjunctive
dominating set} of if for every vertex , is either
adjacent to a vertex of or has at least two vertices in at distance
from it. The cardinality of a minimum disjunctive dominating set of is
called the \emph{disjunctive domination number} of graph , and is denoted by
. The \textsc{Minimum Disjunctive Domination Problem} (MDDP)
is to find a disjunctive dominating set of cardinality .
Given a positive integer and a graph , the \textsc{Disjunctive
Domination Decision Problem} (DDDP) is to decide whether has a disjunctive
dominating set of cardinality at most . In this article, we first propose a
linear time algorithm for MDDP in proper interval graphs. Next we tighten the
NP-completeness of DDDP by showing that it remains NP-complete even in chordal
graphs. We also propose a -approximation
algorithm for MDDP in general graphs and prove that MDDP can not be
approximated within for any unless NP
DTIME. Finally, we show that MDDP is
APX-complete for bipartite graphs with maximum degree
Lifetime and Coherence of Two-Level Defects in a Josephson Junction
We measure the lifetime () and coherence () of two-level defect
states (TLSs) in the insulating barrier of a Josephson phase qubit and compare
to the interaction strength between the two systems. We find for the average
decay times a power law dependence on the corresponding interaction strengths,
whereas for the average coherence times we find an optimum at intermediate
coupling strengths. We explain both the lifetime and the coherence results
using the standard TLS model, including dipole radiation by phonons and
anti-correlated dependence of the energy parameters on environmental
fluctuations.Comment: 4 pages, 4 figures and supplementary material (3 pages, 2 figures, 1
table
Modeling of intrinsic electron and hole trapping in crystalline and amorphous ZnO
Recent advances in ultrafast liquid quenching and deposition of thin films on cold substrates make growing amorphous (a)‐ZnO films increasingly feasible. The electronic structure and electron and hole trapping properties of amorphous ZnO are predicted using density functional theory (DFT) simulations with a hybrid density functional (h‐DFT). An ensemble of fifty 324‐atom structures is employed to obtain the distribution of structural and electronic properties of a‐ZnO. The results demonstrate that electrons do not localize in a‐ZnO, but holes form deep localized states with average trapping energy of about 0.9 eV. It is also shown that dispersion at the conduction band minimum (CBM) is not affected upon amorphization, suggesting that high electron mobility should be retained. An average value of a‐ZnO band gap of 3.36 eV is calculated with no states splitting into the band gap, which accounts for no substantial detrimental effect on the optical transparency upon amorphization. These findings may have important implications for future applications of a‐ZnO as a transparent conductor and photocatalyst
Glass Polymorphism in TIP4P/2005 Water: A Description Based on the Potential Energy Landscape Formalism
The potential energy landscape (PEL) formalism is a statistical mechanical
approach to describe supercooled liquids and glasses. Here we use the PEL
formalism to study the pressure-induced transformations between low-density
amorphous ice (LDA) and high-density amorphous ice (HDA) using computer
simulations of the TIP4P/2005 molecular model of water. We find that the
properties of the PEL sampled by the system during the LDA-HDA transformation
exhibit anomalous behavior. In particular, at conditions where the change in
density during the LDA-HDA transformation is approximately discontinuous,
reminiscent of a first-order phase transition, we find that (i) the inherent
structure (IS) energy, , is a concave function of the volume,
and (ii) the IS pressure, , exhibits a van der Waals-like loop.
In addition, the curvature of the PEL at the IS is anomalous, a non-monotonic
function of . In agreement with previous studies, our work suggests that
conditions (i) and (ii) are necessary (but not sufficient) signatures of the
PEL for the LDA-HDA transformation to be reminiscent of a first-order phase
transition. We also find that one can identify two different regions of the
PEL, one associated to LDA and another to HDA. Our computer simulations are
performed using a wide range of compression/decompression and cooling rates. In
particular, our slowest cooling rate (0.01 K/ns) is within the experimental
rates employed in hyperquenching experiments to produce LDA. Interestingly, the
LDA-HDA transformation pressure that we obtain at K and at different
rates extrapolates remarkably well to the corresponding experimental pressure.Comment: Manuscript and Supplementary Materia
The mitochondrial unfolded protein response: Signaling from the powerhouse
Mitochondria are multifaceted and indispensable organelles required for cell performance. Accordingly, dysfunction to mitochondria can result in cellular decline and possibly the onset of disease. Cells use a variety of means to recover mitochondria and restore homeostasis, including the activation of retrograde pathways such as the mitochondrial unfolded protein response (UPRmt). In this Minireview, we will discuss how cells adapt to mitochondrial stress through UPRmt regulation. Furthermore, we will explore the current repertoire of biological functions that are associated with this essential stress-response pathway
Observations from Space: A Unique Vantage Point for the Study of the Environment and Possible Associations with Disease Occurrence
Health providers/researchers need environmental data to study and understand the geographic, environmental, and meteorological differences in disease. Satellite remote sensing of the environment offers a unique vantage point that can fill in the gaps of environmental, spatial, and temporal data for tracking disease. The field of geospatial health remains in its infancy, and this program will demonstrate the need for collaborations between multi-disciplinary research groups to develop the full potential. NASA will discuss the Public Health Projects developed to work with Grantees and the CDC while providing them with information on opportunities for future collaborations with NASA for future research
- …