162 research outputs found
One-Center Charge Transfer Transitions in Manganites
In frames of a rather conventional cluster approach, which combines the
crystal field and the ligand field models we have considered different charge
transfer (CT) states and O 2p-Mn 3d CT transitions in MnO octahedra.
The many-electron dipole transition matrix elements were calculated using the
Racah algebra for the cubic point group. Simple "local" approximation allowed
to calculate the relative intensity for all dipole-allowed and
CT transitions. We present a self-consistent description of
the CT bands in insulating stoichiometric LaMnO compound with the
only Mn valent state and idealized octahedral MnO centers
which allows to substantially correct the current interpretation of the optical
spectra. Our analysis shows the multi-band structure of the CT optical response
with the weak low-energy edge at 1.7 eV, associated with forbidden
transition and a series of the weak and strong
dipole-allowed high-energy transitions starting from 2.5 and 4.5 eV,
respectively, and extending up to nearly 11 eV. The most intensive features are
associated with two strong composite bands near eV and
eV, respectively, resulting from the superposition of the dipole-allowed
and CT transitions. These predictions are in good
agreement with experimental spectra. The experimental data point to a strong
overscreening of the crystal field parameter in the CT states of
MnO centers.Comment: 10 pages, 3 figure
The Fundamental Diagram of Pedestrian Movement Revisited
The empirical relation between density and velocity of pedestrian movement is
not completely analyzed, particularly with regard to the `microscopic' causes
which determine the relation at medium and high densities. The simplest system
for the investigation of this dependency is the normal movement of pedestrians
along a line (single-file movement). This article presents experimental results
for this system under laboratory conditions and discusses the following
observations: The data show a linear relation between the velocity and the
inverse of the density, which can be regarded as the required length of one
pedestrian to move. Furthermore we compare the results for the single-file
movement with literature data for the movement in a plane. This comparison
shows an unexpected conformance between the fundamental diagrams, indicating
that lateral interference has negligible influence on the velocity-density
relation at the density domain . In addition we test a
procedure for automatic recording of pedestrian flow characteristics. We
present preliminary results on measurement range and accuracy of this method.Comment: 13 pages, 9 figure
Criterion for traffic phases in single vehicle data and empirical test of a microscopic three-phase traffic theory
A microscopic criterion for distinguishing synchronized flow and wide moving
jam phases in single vehicle data measured at a single freeway location is
presented. Empirical local congested traffic states in single vehicle data
measured on different days are classified into synchronized flow states and
states consisting of synchronized flow and wide moving jam(s). Then empirical
microscopic characteristics for these different local congested traffic states
are studied. Using these characteristics and empirical spatiotemporal
macroscopic traffic phenomena, an empirical test of a microscopic three-phase
traffic flow theory is performed. Simulations show that the microscopic
criterion and macroscopic spatiotemporal objective criteria lead to the same
identification of the synchronized flow and wide moving jam phases in congested
traffic. It is found that microscopic three-phase traffic models can explain
both microscopic and macroscopic empirical congested pattern features. It is
obtained that microscopic distributions for vehicle speed difference as well as
fundamental diagrams and speed correlation functions can depend on the spatial
co-ordinate considerably. It turns out that microscopic optimal velocity (OV)
functions and time headway distributions are not necessarily qualitatively
different, even if local congested traffic states are qualitatively different.
The reason for this is that important spatiotemporal features of congested
traffic patterns are it lost in these as well as in many other macroscopic and
microscopic traffic characteristics, which are widely used as the empirical
basis for a test of traffic flow models, specifically, cellular automata
traffic flow models.Comment: 27 pages, 16 figure
Changing Selective Pressure during Antigenic Changes in Human Influenza H3
The rapid evolution of influenza viruses presents difficulties in maintaining the optimal efficiency of vaccines. Amino acid substitutions result in antigenic drift, a process whereby antisera raised in response to one virus have reduced effectiveness against future viruses. Interestingly, while amino acid substitutions occur at a relatively constant rate, the antigenic properties of H3 move in a discontinuous, step-wise manner. It is not clear why this punctuated evolution occurs, whether this represents simply the fact that some substitutions affect these properties more than others, or if this is indicative of a changing relationship between the virus and the host. In addition, the role of changing glycosylation of the haemagglutinin in these shifts in antigenic properties is unknown. We analysed the antigenic drift of HA1 from human influenza H3 using a model of sequence change that allows for variation in selective pressure at different locations in the sequence, as well as at different parts of the phylogenetic tree. We detect significant changes in selective pressure that occur preferentially during major changes in antigenic properties. Despite the large increase in glycosylation during the past 40 years, changes in glycosylation did not correlate either with changes in antigenic properties or with significantly more rapid changes in selective pressure. The locations that undergo changes in selective pressure are largely in places undergoing adaptive evolution, in antigenic locations, and in locations or near locations undergoing substitutions that characterise the change in antigenicity of the virus. Our results suggest that the relationship of the virus to the host changes with time, with the shifts in antigenic properties representing changes in this relationship. This suggests that the virus and host immune system are evolving different methods to counter each other. While we are able to characterise the rapid increase in glycosylation of the haemagglutinin during time in human influenza H3, an increase not present in influenza in birds, this increase seems unrelated to the observed changes in antigenic properties
Macroscopic traffic models from microscopic car-following models
We present a method to derive macroscopic fluid-dynamic models from
microscopic car-following models via a coarse-graining procedure. The method is
first demonstrated for the optimal velocity model. The derived macroscopic
model consists of a conservation equation and a momentum equation, and the
latter contains a relaxation term, an anticipation term, and a diffusion term.
Properties of the resulting macroscopic model are compared with those of the
optimal velocity model through numerical simulations, and reasonable agreement
is found although there are deviations in the quantitative level. The
derivation is also extended to general car-following models.Comment: 12 pages, 4 figures; to appear in Phys. Rev.
Open Government Data: A Focus on Key Economic and Organizational Drivers
Grounding the analysis on multidisciplinary literature on the topic, the existing EU legislation and relevant examples, this working paper aims at highlighting some key economic and organizational aspects of the "Open Government Data" paradigm and its drivers and implications within and outside Public Administrations. The discussion intends to adopt an "Internet Science" perspective, taking into account as enabling factors the digital environment itself, as well as specific models and tools. More "traditional" and mature markets grounded on Public Sector Information are also considered, in order to indirectly detect the main differences with respect to the aforementioned paradig
Site-specific time heterogeneity of the substitution process and its impact on phylogenetic inference
<p>Abstract</p> <p>Background</p> <p>Model violations constitute the major limitation in inferring accurate phylogenies. Characterizing properties of the data that are not being correctly handled by current models is therefore of prime importance. One of the properties of protein evolution is the variation of the relative rate of substitutions across sites and over time, the latter is the phenomenon called heterotachy. Its effect on phylogenetic inference has recently obtained considerable attention, which led to the development of new models of sequence evolution. However, thus far focus has been on the quantitative heterogeneity of the evolutionary process, thereby overlooking more qualitative variations.</p> <p>Results</p> <p>We studied the importance of variation of the site-specific amino-acid substitution process over time and its possible impact on phylogenetic inference. We used the CAT model to define an infinite mixture of substitution processes characterized by equilibrium frequencies over the twenty amino acids, a useful proxy for qualitatively estimating the evolutionary process. Using two large datasets, we show that qualitative changes in site-specific substitution properties over time occurred significantly. To test whether this unaccounted qualitative variation can lead to an erroneous phylogenetic tree, we analyzed a concatenation of mitochondrial proteins in which Cnidaria and Porifera were erroneously grouped. The progressive removal of the sites with the most heterogeneous CAT profiles across clades led to the recovery of the monophyly of Eumetazoa (Cnidaria+Bilateria), suggesting that this heterogeneity can negatively influence phylogenetic inference.</p> <p>Conclusion</p> <p>The time-heterogeneity of the amino-acid replacement process is therefore an important evolutionary aspect that should be incorporated in future models of sequence change.</p
A Proposal for a Detector 2 km Away From the T2K Neutrino Source
We propose building a detector site 2km from the neutrino production point of the the T2K experiment. At this distance, almost the same neutrino flux is measured as that seen at Super-K 295 km away. We propose to measure this flux with both a 1 kton water Cherenkov detector which has been optimized to match Super-K resolution, and a 100 ton fiducial volume liquid argon time projection chamber which will provide fine grain imaging and low particle detection thresholds for a precise study of neutrino interactions at the relevant energies. High energy muons which exit the water Cherenkov detector will be measured by an iron muon ranger. In this document, we show that combination of a detector made with the same target as Super-K, with almost the same detector response, and an extremely fine-grained tracking chamber sited in the off-axis beam, will allow us to predict the events seen at Super-K with very little correction other than that of geometric acceptance
- …