1,865 research outputs found
The optimal P3M algorithm for computing electrostatic energies in periodic systems
We optimize Hockney and Eastwood's Particle-Particle Particle-Mesh (P3M)
algorithm to achieve maximal accuracy in the electrostatic energies (instead of
forces) in 3D periodic charged systems. To this end we construct an optimal
influence function that minimizes the RMS errors in the energies. As a
by-product we derive a new real-space cut-off correction term, give a
transparent derivation of the systematic errors in terms of Madelung energies,
and provide an accurate analytical estimate for the RMS error of the energies.
This error estimate is a useful indicator of the accuracy of the computed
energies, and allows an easy and precise determination of the optimal values of
the various parameters in the algorithm (Ewald splitting parameter, mesh size
and charge assignment order).Comment: 31 pages, 3 figure
Histological evidence for a supraspinous ligament in sauropod dinosaurs
Supraspinous ossified rods have been reported in the sacra of some derived sauropod dinosaurs. Although different hypotheses have been proposed to explain the origin ofthis structure, histological evidence has never been provided to support or reject any of them. In order to establish its origin, we analyse and characterize the microstructure of thesupraspinous rod of two sauropod dinosaurs from the Upper Cretaceous of Argentina. The supraspinous ossified rod is almost entirely formed by dense Haversian bone. Remains ofprimary bone consist entirely of an avascular tissue composed of two types of fibre-like structures, which are coarse and longitudinally (parallel to the main axis of the element) oriented. These structures are differentiated on the basis of their optical properties under polarized light. Very thin fibrous strands are also observed in some regions. These small fibres are all oriented parallel to one another but perpendicular to the element main axis. Histological features of the primary bone tissue indicate that the sacral supraspinous rod corresponds to an ossified supraspinous ligament. The formation of this structure appears to have been a non-pathological metaplastic ossification, possibly induced by the continuous tensile forces applied to the element.Fil: Cerda, Ignacio Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte. Instituto de Investigación en Paleobiología y Geología; Argentina. Universidad Nacional de Río Negro; ArgentinaFil: Casal, Gabriel. Universidad Nacional de la Patagonia; ArgentinaFil: Martínez, Rubén Darío. Universidad Nacional de la Patagonia ; ArgentinaFil: Ibiricu, Lucio Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Nacional Patagónico; Argentin
Evaluation of DNA Single and Double Strand Breaks in Women with Cervical Neoplasia Based on Alkaline and Neutral Comet Assay Techniques
A hospital-based unmatched case-control study was performed in order to determine the relation of DNA single (ssb) and double (dsb) strand breaks in women with and without cervical neoplasia. Cervical epithelial cells of 30 women: 10 with low grade squamous intraepithelial lesions (LG-SIL), 10 with high-grade SIL (HG-SIL), and 10 without cervical lesions were evaluated using alkaline and neutral comet assays. A significant increase in global DNA damage (ssb + dsb) and dsb was observed in patients with HG-SIL (48.90 ± 12.87 and 23.50 ± 13.91), patients with LG-SIL (33.60 ± 14.96 and 11.20 ± 5.71), and controls (21.70 ± 11.87 and 5.30 ± 5.38; resp.). Pearson correlation coefficient reveled a strong relation between the levels ssb and dsb (2=0.99, =0.03, and 2=0.94, =0.16, resp.) and progression of neoplasia. The increase of dsb damage in patients with HG-SIL was confirmed by DNA breakage detection-FISH (DBD-FISH) on neutral comets. Our results argue in favor of a real genomic instability in women with cervical neoplasia, which was strengthened by our finding of a higher proportion of DNA dsb
Nearest pattern interaction and global pattern formation
We studied the effect of nearest pattern interaction on a globally pattern
formation in a 2-dimensional space, where patterns are to grow initially from a
noise in the presence of periodic supply of energy. Although our approach is
general, we found that this study is relevant in particular to the pattern
formation on a periodically vibrated granular layer, as it gives a unified
perspective of the experimentally observed pattern dynamics such as oscillon
and stripe formations, skew-varicose and crossroll instabilities, and also a
kink formation and decoration
Faraday instability on viscous ferrofluids in a horizontal magnetic field: Oblique rolls of arbitrary orientation
A linear stability analysis of the free surface of a horizontally unbounded
ferrofluid layer of arbitrary depth subjected to vertical vibrations and a
horizontal magnetic field is performed. A nonmonotonic dependence of the
stability threshold on the magnetic field is found at high frequencies of the
vibrations. The reasons of the decrease of the critical acceleration amplitude
caused by a horizontal magnetic field are discussed. It is revealed that the
magnetic field can be used to select the first unstable pattern of Faraday
waves. In particular, a rhombic pattern as a superposition of two different
oblique rolls can occur. A scaling law is presented which maps all data into
one graph for the tested range of viscosities, frequencies, magnetic fields and
layer thicknesses.Comment: 8 pages, 6 figures, RevTex
Prevalencia de obesidad en una cohorte de pacientes con artritis psoriásica y factores asociados
Se ha observado elevada prevalencia de obesidad en pacientes con Artritis Psoriásica (APs). También, ha sido descripta asociación con una mayor severidad de psoriasis cutánea, pero su relación con la severidad de la APs ha sido menos estudiada.
Objetivos: Evaluar la prevalencia de obesidad en una cohorte de pacientes con APs y su asociación con características sociodemográficas y clínicas de la enfermedad
A Continuum Description of Vibrated Sand
The motion of a thin layer of granular material on a plate undergoing
sinusoidal vibrations is considered. We develop equations of motion for the
local thickness and the horizontal velocity of the layer. The driving comes
from the violent impact of the grains on the plate. A linear stability theory
reveals that the waves are excited non-resonantly, in contrast to the usual
Faraday waves in liquids. Together with the experimentally observed continuum
scaling, the model suggests a close connection between the neutral curve and
the dispersion relation of the waves, which agrees quite well with experiments.
For strong hysteresis we find localized oscillon solutions.Comment: paper has been considerably extended (11 instead of 6 pages; 6
instead of 4 figures) much better agreement with experiment. obtain now
oscillons in 1 dimensio
Stable and Metastable Structures of Cobalt on Cu(001): An ab initio Study
We report results of density-functional theory calculations on the
structural, magnetic, and electronic properties of (1x1)-structures of Co on
Cu(001) for coverages up to two monolayers. In particular we discuss the
tendency towards phase separation in Co islands and the possibility of
segregation of Cu on top of the Co-film. A sandwich structure consisting of a
bilayer Co-film covered by 1ML of Cu is found to be the lowest-energy
configuration. We also discuss a bilayer c(2x2)-alloy which may form due to
kinetic reasons, or be stabilized at strained surface regions. Furthermore, we
study the influence of magnetism on the various structures and, e.g., find that
Co adlayers induce a weak spin-density wave in the copper substrate.Comment: 11 pages including 4 figures. Related publications can be found at
http://www.fhi-berlin.mpg.de/th/paper.htm
MARTA: A high-energy cosmic-ray detector concept with high-accuracy muon measurement
A new concept for the direct measurement of muons in air showers is
presented. The concept is based on resistive plate chambers (RPCs), which can
directly measure muons with very good space and time resolution. The muon
detector is shielded by placing it under another detector able to absorb and
measure the electromagnetic component of the showers such as a water-Cherenkov
detector, commonly used in air shower arrays. The combination of the two
detectors in a single, compact detector unit provides a unique measurement that
opens rich possibilities in the study of air showers.Comment: 11 page
Vibrational properties of CdGa2S4 at high pressure
[EN] Raman scattering measurements have been performed in cadmium digallium sulphide (CdGa2S4) with defect chalcopyrite structure up to 25 GPa in order to study its pressure-induced phase transitions. These measurements have been complemented and compared with latticedynamics ab initio calculations including the TO-LO splitting at high pressures in order to provide a better assignment of experimental Raman modes. In addition, experimental and theoretical Gruneisen parameters have been reported in order to calculate the molar heat capacity and thermal expansion coefficient of CdGa2S4. Our measurements provide evidence that CdGa2S4 undergoes an irreversible phase transition above 15 GPa to a Raman-inactive phase, likely with a disordered rock salt structure. Moreover, the Raman spectrum observed on downstroke from 25 GPa to 2 GPa has been attributed to a new phase, tentatively identified as a disordered zinc blende structure, that undergoes a reversible phase transition to the Raman-inactive phase above 10 GPa. Published under license by AIP Publishing.The authors thank the financial support of the Spanish Ministerio de Economia y Competitividad (MINECO) under Grant Nos. MAT2016-75586-C4-2/3-P and MAT2015-71070-REDC (MALTA Consolider) and the Generalitat Valenciana under Project No. PROMETEO/2018/123-EFIMAT. E. P.-G., A. M., and P. R.-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster.Gallego-Parra, S.; Gomis, O.; Vilaplana Cerda, RI.; Ortiz, H.; Perez-Gonzalez, E.; Luna Molina, R.; Rodríguez-Hernández, P.... (2019). Vibrational properties of CdGa2S4 at high pressure. Journal of Applied Physics. 125(11):1-12. https://doi.org/10.1063/1.5080503S11212511Gomis, O., Santamaría-Pérez, D., Vilaplana, R., Luna, R., Sans, J. A., Manjón, F. J., … Ursaki, V. V. (2014). Structural and elastic properties of defect chalcopyrite HgGa2S4 under high pressure. Journal of Alloys and Compounds, 583, 70-78. doi:10.1016/j.jallcom.2013.08.123Cohen, M. L. (1985). Calculation of bulk moduli of diamond and zinc-blende solids. Physical Review B, 32(12), 7988-7991. doi:10.1103/physrevb.32.7988Kim, J. W., & Kim, Y. J. (2007). Optical Properties of Eu Doped M-Ga2S4 (M:Zn, Ca, Sr) Phosphors for White Light Emitting Diodes. Journal of Nanoscience and Nanotechnology, 7(11), 4065-4068. doi:10.1166/jnn.2007.066Yu, R., Noh, H. M., Moon, B. K., Choi, B. C., Jeong, J. H., Jang, K., … Jang, J. K. (2013). Photoluminescence properties of a new red-emitting Mn-activated ZnGa2S4 phosphor. Materials Research Bulletin, 48(6), 2154-2158. doi:10.1016/j.materresbull.2013.02.017Liang, F., Kang, L., Lin, Z., Wu, Y., & Chen, C. (2017). Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures. Coordination Chemistry Reviews, 333, 57-70. doi:10.1016/j.ccr.2016.11.012Sahariya, J., Kumar, P., & Soni, A. (2017). Structural and optical investigations of ZnGa2X4 (X = S, Se) compounds for solar photovoltaic applications. Materials Chemistry and Physics, 199, 257-264. doi:10.1016/j.matchemphys.2017.07.003Syrbu, N. N., Tiron, A. V., Parvan, V. I., Zalamai, V. V., & Tiginyanu, I. M. (2015). Interference of birefractive waves in CdGa2S4 crystals. Physica B: Condensed Matter, 463, 88-92. doi:10.1016/j.physb.2015.02.007Vilaplana, R., Gomis, O., Manjón, F. J., Ortiz, H. M., Pérez-González, E., López-Solano, J., … Tiginyanu, I. M. (2013). Lattice Dynamics Study of HgGa2Se4at High Pressures. The Journal of Physical Chemistry C, 117(30), 15773-15781. doi:10.1021/jp402493rGrzechnik, A., Ursaki, V. V., Syassen, K., Loa, I., Tiginyanu, I. M., & Hanfland, M. (2001). Pressure-Induced Phase Transitions in Cadmium Thiogallate CdGa2Se4. Journal of Solid State Chemistry, 160(1), 205-211. doi:10.1006/jssc.2001.9224Gomis, O., Vilaplana, R., Manjón, F. J., Ruiz-Fuertes, J., Pérez-González, E., López-Solano, J., … Tiginyanu, I. M. (2015). HgGa2
Se4
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