From Quantity to Quality: Massive Molecular Dynamics Simulation of Nanostructures under Plastic Deformation in Desktop and Service Grid Distributed Computing Infrastructure

The distributed computing infrastructure (DCI) on the basis of BOINC and EDGeS-bridge technologies for high-performance distributed computing is used for porting the sequential molecular dynamics (MD) application to its parallel version for DCI with Desktop Grids (DGs) and Service Grids (SGs). The actual metrics of the working DG-SG DCI were measured, and the normal distribution of host performances, and signs of log-normal distributions of other characteristics (CPUs, RAM, and HDD per host) were found. The practical feasibility and high efficiency of the MD simulations on the basis of DG-SG DCI were demonstrated during the experiment with the massive MD simulations for the large quantity of aluminum nanocrystals ($\sim10^2$-$10^3$). Statistical analysis (Kolmogorov-Smirnov test, moment analysis, and bootstrapping analysis) of the defect density distribution over the ensemble of nanocrystals had shown that change of plastic deformation mode is followed by the qualitative change of defect density distribution type over ensemble of nanocrystals. Some limitations (fluctuating performance, unpredictable availability of resources, etc.) of the typical DG-SG DCI were outlined, and some advantages (high efficiency, high speedup, and low cost) were demonstrated. Deploying on DG DCI allows to get new scientific $\it{quality}$ from the simulated $\it{quantity}$ of numerous configurations by harnessing sufficient computational power to undertake MD simulations in a wider range of physical parameters (configurations) in a much shorter timeframe.Comment: 13 pages, 11 pages (http://journals.agh.edu.pl/csci/article/view/106

A Signature of Passivity? An Explorative Study of the N3 Event- Related Potential Component in Passive Oddball Tasks

BackgroundMany passive oddball experiments show a sharp negative deflection N3 after P3b, peaking between 400 and 500 ms, but this wave has never been analyzed properly. We conducted five passive oddball experiments, in which the number of deviants (i.e., one or two), their alleged meaning, and their distinctiveness varied.ResultsMastoid- or common-referenced waveforms showed a fronto-central N3 in all experiments. The data were CSD (Current Source Density) transformed and underwent a Principal Component Analysis (PCA). The PCA revealed N3 containing two subcomponents with very stable peak latencies of about 415 and 455 ms, respectively. Both topography of the subcomponents and their variation with experimental conditions were very similar, indicating a midfrontal sink and a posterior temporal source. An analysis of P3a and P3b components replicated previously known effects.ConclusionWe discuss the similarities and differences between the passive N3 and other components including the MMN, N1, late positive Slow Wave, and reorienting negativity. We also make general hypotheses about a possible functional meaning of N3; on this basis, specific hypotheses are formulated and further experiments are suggested to test these hypotheses

Giant field enhancement in high-index dielectric subwavelength particles

Besides purely academic interest, giant field enhancement within subwavelength particles at light scattering of a plane electromagnetic wave is important for numerous applications ranging from telecommunications to medicine and biology. In this paper, we experimentally demonstrate the enhancement of the intensity of the magnetic field in a high-index dielectric cylinder at the proximity of the dipolar Mie resonances by more than two orders of magnitude for both the TE and TM polarizations of the incident wave. We present a complete theoretical explanation of the effect and show that the phenomenon is very general - it should be observed for any high-index particles. The results explain the huge enhancement of nonlinear effects observed recently in optics, suggesting a new landscape for all-dielectric nonlinear nanoscale photonics.Comment: 8 pages, 4 figure

Music in Research and Rehabilitation of Disorders of Consciousness: Psychological and Neurophysiological Foundations

According to a prevailing view, the visual system works by dissecting stimuli into primitives, whereas the auditory system processes simple and complex stimuli with their corresponding features in parallel. This makes musical stimulation particularly suitable for patients with disorders of consciousness (DoC), because the processing pathways related to complex stimulus features can be preserved even when those related to simple features are no longer available. An additional factor speaking in favor of musical stimulation in DoC is the low efficiency of visual stimulation due to prevalent maladies of vision or gaze fixation in DoC patients. Hearing disorders, in contrast, are much less frequent in DoC, which allows us to use auditory stimulation at various levels of complexity. The current paper overviews empirical data concerning the four main domains of brain functioning in DoC patients that musical stimulation can address: perception (e.g., pitch, timbre, and harmony), cognition (e.g., musical syntax and meaning), emotions, and motor functions. Music can approach basic levels of patients’ self-consciousness, which may even exist when all higher-level cognitions are lost, whereas music induced emotions and rhythmic stimulation can affect the dopaminergic reward-system and activity in the motor system respectively, thus serving as a starting point for rehabilitation

EEG correlates of working memory performance in females

BACKGROUND: The study investigates oscillatory brain activity during working memory (WM) tasks. The tasks employed varied in two dimensions. First, they differed in complexity from average to highly demanding. Second, we used two types of tasks, which required either only retention of stimulus set or retention and manipulation of the content. We expected to reveal EEG correlates of temporary storage and central executive components of WM and to assess their contribution to individual differences. RESULTS: Generally, as compared with the retention condition, manipulation of stimuli in WM was associated with distributed suppression of alpha1 activity and with the increase of the midline theta activity. Load and task dependent decrement of beta1 power was found during task performance. Beta2 power increased with the increasing WM load and did not significantly depend on the type of the task. At the level of individual differences, we found that the high performance (HP) group was characterized by higher alpha rhythm power. The HP group demonstrated task-related increment of theta power in the left anterior area and a gradual increase of theta power at midline area. In contrast, the low performance (LP) group exhibited a drop of theta power in the most challenging condition. HP group was also characterized by stronger desynchronization of beta1 rhythm over the left posterior area in the manipulation condition. In this condition, beta2 power increased in the HP group over anterior areas, but in the LP group over posterior areas. CONCLUSIONS: WM performance is accompanied by changes in EEG in a broad frequency range from theta to higher beta bands. The most pronounced differences in oscillatory activity between individuals with high and low WM performance can be observed in the most challenging WM task

Further investigations of the deep double donor magnesium in silicon

The deep double donor levels of substitutional chalcogen impurities in silicon have unique optical properties which may enable a spin/photonic quantum technology. The interstitial magnesium impurity (Mg$_i$) in silicon is also a deep double donor but has not yet been studied in the same detail as have the chalcogens. In this study we look at the neutral and singly ionized Mg$_i$ absorption spectra in natural silicon and isotopically enriched 28-silicon in more detail. The 1s(A$_1$) to 1s(T$_2$) transitions, which are very strong for the chalcogens and are central to the proposed spin/photonic quantum technology, could not be detected. We observe the presence of another double donor (Mg$_{i*}$) that may result from Mg$_i$ in a reduced symmetry configuration, most likely due to complexing with another impurity. The neutral species of Mg$_{i*}$ reveal unusual low lying ground state levels detected through temperature dependence studies. We also observe a shallow donor which we identify as a magnesium-boron pair

A Mg-pair isoelectronic bound exciton identified by its isotopic fingerprint in 28^{28}Si

We use the greatly improved optical linewidths provided by highly enriched $^{28}$Si to study a photoluminescence line near 1017 meV previously observed in the luminescence spectrum of natural Si diffused with Mg, and suggested to result from the recombination of an isoelectronic bound exciton localized at a Mg-pair center. In $^{28}$Si this no-phonon line is found to be comprised of five components whose relative intensities closely match the relative abundances of Mg-pairs formed by random combinations of the three stable isotopes of Mg, thus confirming the Mg-pair hypothesis. We further present the results of temperature dependence studies of this center that reveal unusual and as yet unexplained behaviour.Comment: 5 pages, 4 figure

"ENERGY APPROACH" FOR CALCULATING THE ECONOMIC VALUE OF BIORESOURCES OF THE HUNTING FARM "SVIYAZHSKOE"

O papel dos animais no ecossistema é determinado por uma ampla gama de fatores. Este é, antes de tudo, o número, a biomassa e a natureza da alimentação. Devido ao fato de que a taxa metabólica em diferentes grupos de animais não é a mesma, o indicador mais importante de sua importância no funcionamento do ecossistema é o fluxo de energia que passa pela comunidade (energia transformável). O artigo apresenta dados sobre o uso de energia transformável para avaliar os recursos de espécies terrestres de vertebrados nas condições da fazenda de caça "Sviyazhskoe. A abordagem implementada pode ser aplicada a diferentes territórios. Uma limitação fundamental pode ser apenas a ausência de dados sistemáticos sobre os registros de todos os grupos.The role of animals in the ecosystem is determined by a wide range of factors. This is, first of all, the number, biomass and nature of feeding. Due to the fact, that the metabolic rate in different groups of animals is not the same, the most integral indicator of their significance in the functioning of ecosystem is the energy flow, passing through the community (transformable energy). The article presents data on the use of transformable energy for assessing the resources of terrestrial vertebrate species in the conditions of the hunting farm "Sviyazhskoe. The implemented approach can be applied to different territories. A fundamental limitation can only be the absence of systematic data on the records of all groups.El papel de los animales en el ecosistema está determinado por una amplia gama de factores. Este es, en primer lugar, el número, la biomasa y la naturaleza de la alimentación. Debido al hecho de que la tasa metabólica en diferentes grupos de animales no es la misma, el indicador más integral de su importancia en el funcionamiento del ecosistema es el flujo de energía, que pasa a través de la comunidad (energía transformable). El artículo presenta datos sobre el uso de energía transformable para evaluar los recursos de las especies de vertebrados terrestres en las condiciones de la granja de caza "Sviyazhskoe. El enfoque implementado puede aplicarse a diferentes territorios. Una limitación fundamental solo puede ser la ausencia de datos sistemáticos sobre Los registros de todos los grupos

Intact Cytoskeleton Is Required for Small G Protein Dependent Activation of the Epithelial Na+ Channel

BACKGROUND: The Epithelial Na(+) Channel (ENaC) plays a central role in control of epithelial surface hydration and vascular volume. Similar to other ion channels, ENaC activity is regulated, in part, by cortical cytoskeleton. Besides, the cytoskeleton is an established target for small G proteins signaling. Here we studied whether ENaC activity is modulated by changes in the state of the cytoskeleton and whether cytoskeletal elements are involved in small G protein mediated increase of ENaC activity. METHODS AND FINDINGS: First, the functional importance of the cytoskeleton was established with whole-cell patch clamp experiments recording ENaC reconstituted in CHO cells. Pretreatment with Cytochalasin D (CytD; 10 microg/ml; 1-2 h) or colchicine (500 microM; 1-3 h) to disassembly F-actin and destroy microtubules, respectively, significantly decreased amiloride sensitive current. However, acute application of CytD induced rapid increase in macroscopic current. Single channel measurements under cell-attached conditions revealed similar observations. CytD rapidly increased ENaC activity in freshly isolated rat collecting duct, polarized epithelial mouse mpkCCD(c14) cells and HEK293 cells transiently transfected with ENaC subunits. In contrast, colchicine did not have an acute effect on ENaC activity. Small G proteins RhoA, Rac1 and Rab11a markedly increase ENaC activity. 1-2 h treatment with colchicine or CytD abolished effects of these GTPases. Interestingly, when cells were coexpressed with ENaC and RhoA, short-term treatment with CytD decreased ENaC activity. CONCLUSIONS: We conclude that cytoskeleton is involved in regulation of ENaC and is necessary for small G protein mediated increase of ENaC activity