1,530 research outputs found
Sensing behavior of acetone vapors on TiO nanostructures --- application of density functional theory
The electronic properties of TiO nanostructure are explored using density
functional theory. The adsorption properties of acetone on TiO
nanostructure are studied in terms of adsorption energy, average energy gap
variation and Mulliken charge transfer. The density of states spectrum and the
band structure clearly reveals the adsorption of acetone on TiO
nanostructures. The variation in the energy gap and changes in the density of
charge are observed upon adsorption of acetone on n-type TiO base material.
The results of DOS spectrum reveal that the transfer of electrons takes place
between acetone vapor and TiO base material. The findings show that the
adsorption property of acetone is more favorable on TiO nanostructure.
Suitable adsorption sites of acetone on TiO nanostructure are identified at
atomistic level. From the results, it is confirmed that TiO nanostructure
can be efficiently utilized as a sensing element for the detection of acetone
vapor in a mixed environment.Comment: 13 pages, 14 figures, 3 table
SAFIUS - A secure and accountable filesystem over untrusted storage
We describe SAFIUS, a secure accountable file system that resides over an
untrusted storage. SAFIUS provides strong security guarantees like
confidentiality, integrity, prevention from rollback attacks, and
accountability. SAFIUS also enables read/write sharing of data and provides the
standard UNIX-like interface for applications. To achieve accountability with
good performance, it uses asynchronous signatures; to reduce the space required
for storing these signatures, a novel signature pruning mechanism is used.
SAFIUS has been implemented on a GNU/Linux based system modifying OpenGFS.
Preliminary performance studies show that SAFIUS has a tolerable overhead for
providing secure storage: while it has an overhead of about 50% of OpenGFS in
data intensive workloads (due to the overhead of performing
encryption/decryption in software), it is comparable (or better in some cases)
to OpenGFS in metadata intensive workloads.Comment: 11pt, 12 pages, 16 figure
On the Analysis of a Label Propagation Algorithm for Community Detection
This paper initiates formal analysis of a simple, distributed algorithm for
community detection on networks. We analyze an algorithm that we call
\textsc{Max-LPA}, both in terms of its convergence time and in terms of the
"quality" of the communities detected. \textsc{Max-LPA} is an instance of a
class of community detection algorithms called \textit{label propagation}
algorithms. As far as we know, most analysis of label propagation algorithms
thus far has been empirical in nature and in this paper we seek a theoretical
understanding of label propagation algorithms. In our main result, we define a
clustered version of \er random graphs with clusters where
the probability , of an edge connecting nodes within a cluster is
higher than , the probability of an edge connecting nodes in distinct
clusters. We show that even with fairly general restrictions on and
( for any , , where is the number of nodes), \textsc{Max-LPA} detects the
clusters in just two rounds. Based on this and on empirical
results, we conjecture that \textsc{Max-LPA} can correctly and quickly identify
communities on clustered \er graphs even when the clusters are much sparser,
i.e., with for some .Comment: 17 pages. Submitted to ICDCN 201
Super-Fast Distributed Algorithms for Metric Facility Location
This paper presents a distributed O(1)-approximation algorithm, with
expected- running time, in the model for
the metric facility location problem on a size- clique network. Though
metric facility location has been considered by a number of researchers in
low-diameter settings, this is the first sub-logarithmic-round algorithm for
the problem that yields an O(1)-approximation in the setting of non-uniform
facility opening costs. In order to obtain this result, our paper makes three
main technical contributions. First, we show a new lower bound for metric
facility location, extending the lower bound of B\u{a}doiu et al. (ICALP 2005)
that applies only to the special case of uniform facility opening costs. Next,
we demonstrate a reduction of the distributed metric facility location problem
to the problem of computing an O(1)-ruling set of an appropriate spanning
subgraph. Finally, we present a sub-logarithmic-round (in expectation)
algorithm for computing a 2-ruling set in a spanning subgraph of a clique. Our
algorithm accomplishes this by using a combination of randomized and
deterministic sparsification.Comment: 15 pages, 2 figures. This is the full version of a paper that
appeared in ICALP 201
Simulation of quantum zero-point effects in water using a frequency-dependent thermostat
Molecules like water have vibrational modes with a zero-point energy well
above room temperature. As a consequence, classical molecular dynamics
simulations of their liquids largely underestimate the energy of modes with a
higher zero-point temperature, which translates into an underestimation of
covalent interatomic distances due to anharmonic effects. Zero-point effects
can be recovered using path integral molecular dynamics simulations, but these
are computationally expensive, making their combination with ab initio
molecular dynamics simulations a challenge. As an alternative to path integral
methods, from a computationally simple perspective, one would envision the
design of a thermostat capable of equilibrating and maintaining the different
vibrational modes at their corresponding zero-point temperatures. Recently,
Ceriotti et al. (Phys. Rev. Lett. 102 020601 (2009)) introduced a framework to
use a custom-tailored Langevin equation with correlated noise that can be used
to include quantum fluctuations in classical molecular dynamics simulations.
Here we show that it is possible to use the generalized Langevin equation with
suppressed noise in combination with Nose-Hoover thermostats to efficiently
impose a zero-point temperature on independent modes in liquid water. Using our
simple and inexpensive method, we achieve excellent agreement for all atomic
pair correlation functions compared to the path integral molecular dynamics
simulation.Comment: 27 pages, 12 figs, Published versio
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