The utility of point count surveys to predict wildlife interactions with wind energy facilities: An example focused on golden eagles

USGS Publications Warehouse

Sur, Maitreyi; Belthoff, James R.; Bjerre, Emily R.; Millsap, Brian A.; Katzner, Todd

2018-01-01

Wind energy development is rapidly expanding in North America, often accompanied by requirements to survey potential facility locations for existing wildlife. Within the USA, golden eagles (Aquila chrysaetos) are among the most high-profile species of birds that are at risk from wind turbines. To minimize golden eagle fatalities in areas proposed for wind development, modified point count surveys are usually conducted to estimate use by these birds. However, it is not always clear what drives variation in the relationship between on-site point count data and actual use by eagles of a wind energy project footprint. We used existing GPS-GSM telemetry data, collected at 15 min intervals from 13 golden eagles in 2012 and 2013, to explore the relationship between point count data and eagle use of an entire project footprint. To do this, we overlaid the telemetry data on hypothetical project footprints and simulated a variety of point count sampling strategies for those footprints. We compared the time an eagle was found in the sample plots with the time it was found in the project footprint using a metric we called “error due to sampling”. Error due to sampling for individual eagles appeared to be influenced by interactions between the size of the project footprint (20, 40, 90 or 180 km2) and the sampling type (random, systematic or stratified) and was greatest on 90 km2 plots. However, use of random sampling resulted in lowest error due to sampling within intermediate sized plots. In addition sampling intensity and sampling frequency both influenced the effectiveness of point count sampling. Although our work focuses on individual eagles (not the eagle populations typically surveyed in the field), our analysis shows both the utility of simulations to identify specific influences on error and also potential improvements to sampling that consider the context-specific manner that point counts are laid out on the landscape.

Interaction between like-charged polyelectrolyte-colloid complexes in electrolyte solutions: a Monte Carlo simulation study in the Debye-Hückel approximation.

PubMed

Truzzolillo, D; Bordi, F; Sciortino, F; Sennato, S

2010-07-14

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto oppositely charged colloidal spheres, dispersed in an electrolyte solution. In our simulations the bending energy between adjacent monomers is small compared to the electrostatic energy, and the chains, once adsorbed, do not exchange with the solution, although they rearrange on the particles surface to accommodate further adsorbing chains or due to the electrostatic interaction with neighbor complexes. Rather unexpectedly, when two interacting particles approach each other, the rearrangement of the surface charge distribution invariably produces antiparallel dipolar doublets that invert their orientation at the isoelectric point. These findings clearly rule out a contribution of dipole-dipole interactions to the observed attractive interaction between the complexes, pointing out that such suspensions cannot be considered dipolar fluids. On varying the ionic strength of the electrolyte, we find that a screening length kappa(-1), short compared with the size of the colloidal particles, is required in order to observe the attraction between like-charged complexes due to the nonuniform distribution of the electric charge on their surface ("patch attraction"). On the other hand, by changing the polyelectrolyte/particle charge ratio xi(s), the interaction between like-charged polyelectrolyte-decorated particles, at short separations, evolves from purely repulsive to strongly attractive. Hence, the effective interaction between the complexes is characterized by a potential barrier, whose height depends on the net charge and on the nonuniformity of their surface charge distribution.

Pollutant threshold concentration determination in marine ecosystems using an ecological interaction endpoint.

PubMed

Wang, Changyou; Liang, Shengkang; Guo, Wenting; Yu, Hua; Xing, Wenhui

2015-09-01

The threshold concentrations of pollutants are determined by extrapolating single-species effect data to community-level effects. This assumes the most sensitive endpoint of the life cycle of individuals and the species sensitivity distribution from single-species toxic effect tests, thus, ignoring the ecological interactions. The uncertainties due to this extrapolation can be partially overcome using the equilibrium point of a customized ecosystem. This method incorporates ecological interactions and integrates the effects on growth, survival, and ingestion into a single effect measure, the equilibrium point excursion in the customized ecosystem, in order to describe the toxic effects on plankton. A case study showed that the threshold concentration of copper calculated with the endpoint of the equilibrium point was 10 μg L(-1), which is significantly different from the threshold calculated with a single-species endpoint. The endpoint calculated using this method provides a more relevant measure of the ecological impact than any single individual-level endpoint. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effects of surfactant micelles on viscosity and conductivity of poly(ethylene glycol) solutions

NASA Astrophysics Data System (ADS)

Wang, Shun-Cheng; Wei, Tzu-Chien; Chen, Wun-Bin; Tsao, Heng-Kwong

2004-03-01

The neutral polymer-micelle interaction is investigated for various surfactants by viscometry and electrical conductometry. In order to exclude the well-known necklace scenario, we consider aqueous solutions of low molecular weight poly(ethylene glycol) (2-20)×103, whose radial size is comparable to or smaller than micelles. The single-tail surfactants consist of anionic, cationic, and nonionic head groups. It is found that the viscosity of the polymer solution may be increased several times by micelles if weak attraction between a polymer segment and a surfactant exists, ɛ

Absence of thermalization in finite isolated interacting Floquet systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seetharam, Karthik; Titum, Paraj; Kolodrubetz, Michael

Conventional wisdom suggests that the long time behavior of isolated interacting periodically driven (Floquet) systems is a featureless maximal entropy state characterized by an infinite temperature. Efforts to thwart this uninteresting fixed point include adding sufficient disorder to realize a Floquet many-body localized phase or working in a narrow region of drive frequencies to achieve glassy non-thermal behavior at long time. Here we show that in clean systems the Floquet eigenstates can exhibit non-thermal behavior due to finite system size. We consider a one-dimensional system of spinless fermions with nearest-neighbor interactions where the interaction term is driven. Interestingly, even withmore » no static component of the interaction, the quasienergy spectrum contains gaps and a significant fraction of the Floquet eigenstates, at all quasienergies, have non-thermal average doublon densities. Finally, we show that this non-thermal behavior arises due to emergent integrability at large interaction strength and discuss how the integrability breaks down with power-law dependence on system size.« less

Absence of thermalization in finite isolated interacting Floquet systems

NASA Astrophysics Data System (ADS)

Seetharam, Karthik; Titum, Paraj; Kolodrubetz, Michael; Refael, Gil

2018-01-01

Conventional wisdom suggests that the long-time behavior of isolated interacting periodically driven (Floquet) systems is a featureless maximal-entropy state characterized by an infinite temperature. Efforts to thwart this uninteresting fixed point include adding sufficient disorder to realize a Floquet many-body localized phase or working in a narrow region of drive frequencies to achieve glassy nonthermal behavior at long time. Here we show that in clean systems the Floquet eigenstates can exhibit nonthermal behavior due to finite system size. We consider a one-dimensional system of spinless fermions with nearest-neighbor interactions where the interaction term is driven. Interestingly, even with no static component of the interaction, the quasienergy spectrum contains gaps and a significant fraction of the Floquet eigenstates, at all quasienergies, have nonthermal average doublon densities. We show that this nonthermal behavior arises due to emergent integrability at large interaction strength and discuss how the integrability breaks down with power-law dependence on system size.

Absence of thermalization in finite isolated interacting Floquet systems

DOE PAGES

Seetharam, Karthik; Titum, Paraj; Kolodrubetz, Michael; ...

2018-01-29

Conventional wisdom suggests that the long time behavior of isolated interacting periodically driven (Floquet) systems is a featureless maximal entropy state characterized by an infinite temperature. Efforts to thwart this uninteresting fixed point include adding sufficient disorder to realize a Floquet many-body localized phase or working in a narrow region of drive frequencies to achieve glassy non-thermal behavior at long time. Here we show that in clean systems the Floquet eigenstates can exhibit non-thermal behavior due to finite system size. We consider a one-dimensional system of spinless fermions with nearest-neighbor interactions where the interaction term is driven. Interestingly, even withmore » no static component of the interaction, the quasienergy spectrum contains gaps and a significant fraction of the Floquet eigenstates, at all quasienergies, have non-thermal average doublon densities. Finally, we show that this non-thermal behavior arises due to emergent integrability at large interaction strength and discuss how the integrability breaks down with power-law dependence on system size.« less

[Intersection point rule for the retention value with mobile phase composition and boiling point of the homologues and chlorobenzenes in soil leaching column chromatography].

PubMed

Xu, F; Liang, X; Lin, B; Su, F

1999-03-01

Based on the linear retention equation of the logarithm of the capacity factor (logk') vs. the methanol volume fraction (psi) of aqueous binary mobile phase in soil leaching column chromatography, the intersection point rule for the logk' of homologues and weak polar chlorobenzenes, with psi, as well as with boiling point, has been derived due to existence of the similar interactions among solutes of the same series, stationary phase (soil) and eluent (methanol-water). These rules were testified by experimental data of homologues (n-alkylbenzenes, methylbenzenes) and weak polar chlorobenzenes.

Membrane interactions of ionic liquids and imidazolium salts.

PubMed

Wang, Da; Galla, Hans-Joachim; Drücker, Patrick

2018-06-01

Room-temperature ionic liquids (RTILs) have attracted considerable attention in recent years due to their versatile properties such as negligible volatility, inflammability, high extractive selectivity and thermal stability. In general, RTILs are organic salts with a melting point below ~100 °C determined by the asymmetry of at least one of their ions. Due to their amphiphilic character, strong interactions with biological materials can be expected. However, rising attention has appeared towards their similarity and interaction with biomolecules. By employing structural modifications, the biochemical properties of RTILs can be designed to mimic lipid structures and to tune their hydrophobicity towards a lipophilic behavior. This is evident for the interaction with lipid-membranes where some of these compounds present membrane-disturbing effects or cellular toxicity. Moreover, they can form micelles or lipid-like bilayer structures by themselves. Both aspects, cellular effects and membrane-forming capacities, of a novel class of lipophilic imidazolium salts will be discussed.

The effect of inertia on the Dirac electron, the spin Hall current and the momentum space Berry curvature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chowdhury, Debashree, E-mail: debashreephys@gmail.com; Basu, B., E-mail: sribbasu@gmail.com

2013-02-15

We have studied the spin dependent force and the associated momentum space Berry curvature in an accelerating system. The results are derived by taking into consideration the non-relativistic limit of a generally covariant Dirac equation with an electromagnetic field present, where the methodology of the Foldy-Wouthuysen transformation is applied to achieve the non-relativistic limit. Spin currents appear due to the combined action of the external electric field, the crystal field and the induced inertial electric field via the total effective spin-orbit interaction. In an accelerating frame, the crucial role of momentum space Berry curvature in the spin dynamics has alsomore » been addressed from the perspective of spin Hall conductivity. For time dependent acceleration, the expression for the spin polarization has been derived. - Highlights: Black-Right-Pointing-Pointer We study the effect of acceleration on the Dirac electron in the presence of an electromagnetic field, where the acceleration induces an electric field. Black-Right-Pointing-Pointer Spin currents appear due to the total effective electric field via the total spin-orbit interaction. Black-Right-Pointing-Pointer We derive the expression for the spin dependent force and the spin Hall current, which is zero for a particular acceleration. Black-Right-Pointing-Pointer The role of the momentum space Berry curvature in an accelerating system is discussed. Black-Right-Pointing-Pointer An expression for the spin polarization for time dependent acceleration is derived.« less

A fraction of neurofibromin interacts with PML bodies in the nucleus of the CCF astrocytoma cell line

DOE Office of Scientific and Technical Information (OSTI.GOV)

Godin, Fabienne; Villette, Sandrine; Vallee, Beatrice

Highlights: Black-Right-Pointing-Pointer We validate the use of specific anti-Nf1 antibodies for immunofluorescence studies. Black-Right-Pointing-Pointer We detect Nf1 in the cytoplasm and nucleus of CCF cells. Black-Right-Pointing-Pointer We demonstrate that Nf1 partially colocalizes with PML nuclear bodies. Black-Right-Pointing-Pointer We demonstrate that there is a direct interaction between a fraction of Nf1 and the PML bodies. -- Abstract: Neurofibromatosis type 1 is a common genetic disease that causes nervous system tumors, and cognitive deficits. It is due to mutations within the NF1 gene, which encodes the Nf1 protein. Nf1 has been shown to be involved in the regulation of Ras, cAMP andmore » actin cytoskeleton dynamics. In this study, using immunofluorescence experiments, we have shown a partial nuclear localization of Nf1 in the astrocytoma cell line: CCF and we have demonstrated that Nf1 partially colocalizes with PML (promyelocytic leukemia) nuclear bodies. A direct interaction between Nf1 and the multiprotein complex has further been demonstrated using 'in situ' proximity ligation assay (PLA).« less

The temperature dependent collective dynamics of liquid sodium

NASA Astrophysics Data System (ADS)

Patel, A. B.; Khambholja, S. G.; Bhatt, N. K.; Thakore, B. Y.; Vyas, P. R.; Jani, A. R.

2012-06-01

Liquid alkali metals show, near the melting point, an upward bending of the dispersion relation at small momentum transfer values. This so-called positive dispersion can be described within generalized hydrodynamics as a visco-elastic reaction of the liquid. There is a speculation that long-living clusters could be the physical reason behind this phenomenon. To shed light on this question a treatment of pseudopotential theory on liquid sodium was performed at different temperatures starting at the melting point. In the present study, we used the modified empty core potential due to Hasegawa et al. (J. Non-Cryst. Solids, 117/118 (1990) 300) along with a local field correction due to Ichimaru-Utsumi (IU) to explain electron-ion interaction. The potential used is composed of a full electron-ion interaction and a repulsive delta function, which represents the orthogonalisation effect due to the s core states. The temperature dependence of pair potential is calculated by using the damping term exp(-πkBTr/2kF). While the expression for phonon dispersions are derived within the memory function formalism. Results thus obtained are well compared with the other theoretical and experimental results.

Monte Carlo simulations of flexible polyanions complexing with whey proteins at their isoelectric point

NASA Astrophysics Data System (ADS)

de Vries, R.

2004-02-01

Electrostatic complexation of flexible polyanions with the whey proteins α-lactalbumin and β-lactoglobulin is studied using Monte Carlo simulations. The proteins are considered at their respective isoelectric points. Discrete charges on the model polyelectrolytes and proteins interact through Debye-Hückel potentials. Protein excluded volume is taken into account through a coarse-grained model of the protein shape. Consistent with experimental results, it is found that α-lactalbumin complexes much more strongly than β-lactoglobulin. For α-lactalbumin, strong complexation is due to localized binding to a single large positive "charge patch," whereas for β-lactoglobulin, weak complexation is due to diffuse binding to multiple smaller charge patches.

Spin filtering effect generated by the inter-subband spin-orbit coupling in the bilayer nanowire with the quantum point contact

PubMed Central

Wójcik, Paweł; Adamowski, Janusz

2017-01-01

The spin filtering effect in the bilayer nanowire with quantum point contact is investigated theoretically. We demonstrate the new mechanism of the spin filtering based on the lateral inter-subband spin-orbit coupling, which for the bilayer nanowires has been reported to be strong. The proposed spin filtering effect is explained as the joint effect of the Landau-Zener intersubband transitions caused by the hybridization of states with opposite spin (due to the lateral Rashba SO interaction) and the confinement of carriers in the quantum point contact region. PMID:28358141

Fate of superconductivity in three-dimensional disordered Luttinger semimetals

NASA Astrophysics Data System (ADS)

Mandal, Ipsita

2018-05-01

Superconducting instability can occur in three-dimensional quadratic band crossing semimetals only at a finite coupling strength due to the vanishing of density of states at the quadratic band touching point. Since realistic materials are always disordered to some extent, we study the effect of short-ranged-correlated disorder on this superconducting quantum critical point using a controlled loop-expansion applying dimensional regularization. The renormalization group (RG) scheme allows us to determine the RG flows of the various interaction strengths and shows that disorder destroys the superconducting quantum critical point. In fact, the system exhibits a runaway flow to strong disorder.

The development of interactive multimedia based on auditory, intellectually, repetition in repetition algorithm learning to increase learning outcome

NASA Astrophysics Data System (ADS)

Munir; Sutarno, H.; Aisyah, N. S.

2018-05-01

This research aims to find out how the development of interactive multimedia based on auditory, intellectually, and repetition can improve student learning outcomes. This interactive multimedia is developed through 5 stages. Analysis stages include the study of literature, questionnaire, interviews and observations. The design phase is done by the database design, flowchart, storyboards and repetition algorithm material while the development phase is done by the creation of web-based framework. Presentation material is adapted to the model of learning such as auditory, intellectually, repetition. Auditory points are obtained by recording the narrative material that presented by a variety of intellectual points. Multimedia as a product is validated by material and media experts. Implementation phase conducted on grade XI-TKJ2 SMKN 1 Garut. Based on index’s gain, an increasing of student learning outcomes in this study is 0.46 which is fair due to interest of student in using interactive multimedia. While the multimedia assessment earned 84.36% which is categorized as very well.

Deep eutectic solvents: similia similibus solvuntur?

PubMed

Zahn, Stefan

2017-02-01

Deep eutectic solvents, mixtures of an organic compound and a salt with a deep eutectic melting point, are promising cheap and eco-friendly alternatives to ionic liquids. Ab initio molecular dynamics simulations of reline, a mixture consisting of urea and choline chloride, reveal that not solely hydrogen bonds allow similar interactions between both constituents. The chloride anion and the oxygen atom of urea also show a similar spatial distribution close to the cationic core of choline due to a similar charge located on both atoms. As a result of multiple similar interactions, clusters migrating together cannot be observed in reline which supports the hypothesis similia similibus solvuntur. In contrast to previous suggestions, the interaction of the hydroxyl group of choline with a hydrogen bond acceptor is overall rigid. Fast hydrogen bond acceptor dynamics is facilitated by the hydrogen atoms in the trans position to the carbonyl group of urea which contributes to the low melting point of reline.

Trigonal warping and photo-induced effects on zone boundary phonon in monolayer graphene

NASA Astrophysics Data System (ADS)

Akay, D.

2018-05-01

We have reported the electronic band structure of monolayer graphene when the combined effects arising from the trigonal warp and highest zone-boundary phonons having A1 g symmetry with Haldane interaction which induced photo-irradiation effect. On the basis of our model, we have introduced a diagonalization to solve the associated Fröhlich Hamiltonian. We have examined that, a trigonal warping effect is introduced on the K and K ' points, leading to a dynamical band gap in the graphene electronic band spectrum due to the electron-A1 g phonon interaction and Haldane mass interaction. Additionally, the bands exhibited an anisotropy at this point. It is also found that, photo-irradiation effect is quite smaller than the trigonal warp effects in the graphene electronic band spectrum. In spite of this, controllability of the photo induced effects by the Haldane mass will have extensive implications in the graphene.

Prediction of the interaction between a simple moving vehicle and an infinite periodically supported rail - Green's functions approach

NASA Astrophysics Data System (ADS)

Mazilu, Traian

2010-09-01

This paper herein describes the interaction between a simple moving vehicle and an infinite periodically supported rail, in order to signalise the basic features of the vehicle/track vibration behaviour in general, and wheel/rail vibration, in particular. The rail is modelled as an infinite Timoshenko beam resting on semi-sleepers via three-directional rail pads and ballast. The time-domain analysis was performed applying Green's matrix of the track method. This method allows taking into account the nonlinearities of the wheel/rail contact and the Doppler effect. The numerical analysis is dedicated to the wheel/rail response due to two types of excitation: the steady-state interaction and rail irregularities. The study points out to certain aspects regarding the parametric resonance, the amplitude-modulated vibration due to corrugation and the Doppler effect.

Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Webb, James L.; Hart, Lewis S.; Wolverson, Daniel; Chen, Chaoyu; Avila, Jose; Asensio, Maria C.

2017-09-01

The rhenium-based transition metal dichalcogenides (TMDs) are atypical of the TMD family due to their highly anisotropic crystalline structure and are recognized as promising materials for two-dimensional heterostructure devices. The nature of the band gap (direct or indirect) for bulk, few-, and single-layer forms of ReS2 is of particular interest, due to its comparatively weak interplanar interaction. However, the degree of interlayer interaction and the question of whether a transition from indirect to direct gap is observed on reducing thickness (as in other TMDs) are controversial. We present a direct determination of the valence band structure of bulk ReS2 using high-resolution angle-resolved photoemission spectroscopy. We find a clear in-plane anisotropy due to the presence of chains of Re atoms, with a strongly directional effective mass which is larger in the direction orthogonal to the Re chains (2.2 me ) than along them (1.6 me ). An appreciable interplane interaction results in an experimentally measured difference of ≈100 -200 meV between the valence band maxima at the Z point (0,0,1/2 ) and the Γ point (0,0,0) of the three-dimensional Brillouin zone. This leads to a direct gap at Z and a close-lying but larger gap at Γ , implying that bulk ReS2 is marginally indirect. This may account for recent conflicting transport and photoluminescence measurements and the resulting uncertainty about the nature of the band gap in this material.

Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural Orbitals.

PubMed

Fiedler, Benjamin; Schmitz, Gunnar; Hättig, Christof; Friedrich, Joachim

2017-12-12

In this work, we present a new pair natural orbitals (PNO)-based incremental scheme to calculate CCSD(T) and CCSD(T0) reaction, interaction, and binding energies. We perform an extensive analysis, which shows small incremental errors similar to previous non-PNO calculations. Furthermore, slight PNO errors are obtained by using T PNO = T TNO with appropriate values of 10 -7 to 10 -8 for reactions and 10 -8 for interaction or binding energies. The combination with the efficient MP2 focal-point approach yields chemical accuracy relative to the complete basis-set (CBS) limit. In this method, small basis sets (cc-pVDZ, def2-TZVP) for the CCSD(T) part are sufficient in case of reactions or interactions, while some larger ones (e.g., (aug)-cc-pVTZ) are necessary for molecular clusters. For these larger basis sets, we show the very high efficiency of our scheme. We obtain not only tremendous decreases of the wall times (i.e., factors >10 2 ) due to the parallelization of the increment calculations as well as of the total times due to the application of PNOs (i.e., compared to the normal incremental scheme) but also smaller total times with respect to the standard PNO method. That way, our new method features a perfect applicability by combining an excellent accuracy with a very high efficiency as well as the accessibility to larger systems due to the separation of the full computation into several small increments.

Electronic spectrum of trilayer graphene

NASA Astrophysics Data System (ADS)

Kumar, S.; Ajay

2014-08-01

Present work deals with the analysis of the single particle electronic spectral function in trilayer (ABC-, ABA- and AAA-stacked) graphene. Tight binding Hamiltonian containing intralayer nearest-neighbor and next-nearest neighbor hopping along-with the interlayer coupling parameter within two triangular sub-lattice approach for trilayer graphene has been employed. The expression of single particle spectral functions A(kw) is obtained within mean-field Green's function equations of motion approach. Spectral function at Γ, M and K points of the Brillouin zone has been numerically computed. It is pointed out that the nature of electronic states at different points of Brillouin zone is found to be influenced by stacking order and Coulomb interactions. At Γ and M points, a trilayer splitting is predicted while at K point a bilayer splitting effect is observed due to crossing of two bands (at K point). Interlayer coupling ( t_{ bot } ) is found to be responsible for the splitting of quasi-particle peaks at each point of Brillouin zone. The influence of t_{ bot } in trilayer graphene is prominent for AAA-stacking compared to ABC- and ABA-stacking. On the other hand, onsite Coulomb interaction reduces the trilayer splitting effect into bilayer splitting at Γ and M points of Brillouin zone and bilayer splitting into single peak spectral function at K point with a shifting of the peak away from Fermi level.

Monte Carlo simulations of flexible polyanions complexing with whey proteins at their isoelectric point.

PubMed

de Vries, R

2004-02-15

Electrostatic complexation of flexible polyanions with the whey proteins alpha-lactalbumin and beta-lactoglobulin is studied using Monte Carlo simulations. The proteins are considered at their respective isoelectric points. Discrete charges on the model polyelectrolytes and proteins interact through Debye-Huckel potentials. Protein excluded volume is taken into account through a coarse-grained model of the protein shape. Consistent with experimental results, it is found that alpha-lactalbumin complexes much more strongly than beta-lactoglobulin. For alpha-lactalbumin, strong complexation is due to localized binding to a single large positive "charge patch," whereas for beta-lactoglobulin, weak complexation is due to diffuse binding to multiple smaller charge patches. Copyright 2004 American Institute of Physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ammann, H.M.; Bradow, F.; Fennell, D.

Hydrogen sulfide is a highly toxic gas which is immediately lethal in concentrations greater than 2000 ppm. The toxic end-point is due to anoxia to brain and heart tissues which results from its interaction with the celluar enzyme cytochrome oxidase. Inhibition of the enzyme halts oxidative metabolism which is the primary energy source for cells. A second toxic end-point is the irritative effect of hydrogen sulfide on mucous membranes, particularly edema at sublethal doses (250 to 500 ppm) in which sufficient exposure occurs before conciousness is lost. Recovered victims of exposure report neurologic symptoms such as headache, fatigue, irritability, vertigo,more » and loss of libido. Long-term effects are similar to those caused by anoxia due to other toxic agents like CO, and probably are not due to specific H/sub 2/S effects. H/sub 2/S is not a cumulative poison. No mutagenic, carcinogenic, reproductive, or teratogenic effects have been reported in the literature.« less

Longitudinal and transverse dynamics of ions from residual gas in an electron accelerator

NASA Astrophysics Data System (ADS)

Gamelin, A.; Bruni, C.; Radevych, D.

2018-05-01

The ion cloud produced from residual gas in an electron accelerator can degrade machine performances and produce instabilities. The ion dynamics in an accelerator is governed by the beam-ion interaction, magnetic fields and eventual mitigation strategies. Due to the fact that the beam has a nonuniform transverse size along its orbit, the ions move longitudinally and accumulate naturally at some points in the accelerator. In order to design effective mitigation strategies it is necessary to understand the ion dynamics not only in the transverse plane but also in the longitudinal direction. After introducing the physics behind the beam-ion interaction, we show how to get accumulation points for a realistic electron storage ring lattice. Simulations of the ion cloud dynamics, including the effect of magnetic fields on the ions, clearing electrodes and clearing gaps are shown. Longitudinal ion trapping due to the magnetic mirror effect in the dipole fringe fields is also detailed. Finally, the effectiveness of clearing electrode using longitudinal clearing fields is discussed and compared to clearing electrodes producing transverse field only.

Evaluation of limited sampling models for prediction of oral midazolam AUC for CYP3A phenotyping and drug interaction studies.

PubMed

Mueller, Silke C; Drewelow, Bernd

2013-05-01

The area under the concentration-time curve (AUC) after oral midazolam administration is commonly used for cytochrome P450 (CYP) 3A phenotyping studies. The aim of this investigation was to evaluate a limited sampling strategy for the prediction of AUC with oral midazolam. A total of 288 concentration-time profiles from 123 healthy volunteers who participated in four previously performed drug interaction studies with intense sampling after a single oral dose of 7.5 mg midazolam were available for evaluation. Of these, 45 profiles served for model building, which was performed by stepwise multiple linear regression, and the remaining 243 datasets served for validation. Mean prediction error (MPE), mean absolute error (MAE) and root mean squared error (RMSE) were calculated to determine bias and precision The one- to four-sampling point models with the best coefficient of correlation were the one-sampling point model (8 h; r (2) = 0.84), the two-sampling point model (0.5 and 8 h; r (2) = 0.93), the three-sampling point model (0.5, 2, and 8 h; r (2) = 0.96), and the four-sampling point model (0.5,1, 2, and 8 h; r (2) = 0.97). However, the one- and two-sampling point models were unable to predict the midazolam AUC due to unacceptable bias and precision. Only the four-sampling point model predicted the very low and very high midazolam AUC of the validation dataset with acceptable precision and bias. The four-sampling point model was also able to predict the geometric mean ratio of the treatment phase over the baseline (with 90 % confidence interval) results of three drug interaction studies in the categories of strong, moderate, and mild induction, as well as no interaction. A four-sampling point limited sampling strategy to predict the oral midazolam AUC for CYP3A phenotyping is proposed. The one-, two- and three-sampling point models were not able to predict midazolam AUC accurately.

Green's functions for analysis of dynamic response of wheel/rail to vertical excitation

NASA Astrophysics Data System (ADS)

Mazilu, Traian

2007-09-01

An analytical model to simulate wheel/rail interaction using the Green's functions method is proposed in this paper. The model consists of a moving wheel on a discretely supported rail. Particularly for this model of rail, the bending and the longitudinal displacement are coupled due to the rail pad and a complex model of the rail pad is adopted. An efficient method for solving a time-domain analysis for wheel/rail interaction is presented. The method is based on the properties of the rail's Green functions and starting to these functions, a track's Green matrix is assembled for the numerical simulations of wheel/rail response due to three kinds of vertical excitations: the steady-state interaction, the rail corrugation and the wheel flat. The study points to influence of the worn rail—rigid contact—on variation in the wheel/rail contact force. The concept of pinned-pinned inhibitive rail pad is also presented.

Resonant scattering and charm showers in ultrahigh-energy neutrino interactions

NASA Technical Reports Server (NTRS)

Wilczek, F.

1985-01-01

Electron antineutrinos with energy of about 7 x 10 to the 6th GeV have much-enhanced cross sections due to W-boson production off electrons. Possible signals due to cosmic-ray sources are estimated. Higher-energy antineutrinos can efficiently produce a W accompanied by radiation. Another possibility, which could lead to shadowing at modest depths, is resonant production of a charged Higgs particle. The importance of muon production by charm showers in rock is pointed out.

Solidification observations and sliding wear behavior of vacuum arc melting processed Ni-Al-TiC composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karantzalis, A.E., E-mail: akarantz@cc.uoi.gr; Lekatou, A.; Tsirka, K.

2012-07-15

Monolithic Ni{sub 3}Al and Ni-25 at.%Al intermetallic matrix TiC-reinforced composites were successfully produced by vacuum arc melting. TiC crystals were formed through a dissolution-reprecipitation mechanism and their final morphology is explained by means of a) Jackson's classical nucleation and growth phenomena and b) solidification rate considerations. The TiC presence altered the matrix microconstituents most likely due to specific melt-particle interactions and crystal plane epitaxial matching. TiC particles caused a significant decrease on the specific wear rate of the monolithic Ni{sub 3}Al alloy and the possible wear mechanisms are approached by means of a) surface oxidation, b) crack/flaws formation, c) materialmore » detachment and d) debris-counter surfaces interactions. - Highlights: Black-Right-Pointing-Pointer Vacuum arc melting (VAM) of Ni-Al based intermetallic matrix composite materials. Black-Right-Pointing-Pointer Solidification phenomena examination. Black-Right-Pointing-Pointer TiC crystal formation and growth mechanisms. Black-Right-Pointing-Pointer Sliding wear examination.« less

Collider effects of unparticle interactions in multiphoton signals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aliev, T. M.; Frank, Mariana; Turan, Ismail

2009-12-01

A new model of physics, with a hidden conformal sector which manifests itself as an unparticle coupling to standard model particles effectively through higher dimensional operators, predicts strong collider signals due to unparticle self-interactions. We perform a complete analysis of the most spectacular of these signals at the hadron collider, pp(p){yields}{gamma}{gamma}{gamma}{gamma} and {gamma}{gamma}gg. These processes can go through the three-point unparticle self-interactions as well as through some s and t channel diagrams with one and/or two unparticle exchanges. We study the contributions of individual diagrams classified with respect to the number of unparticle exchanges and discuss their effect on themore » cross sections at the Tevatron and the LHC. We also restrict the Tevatron bound on the unknown coefficient of the three-point unparticle correlator. With the availability of data from the Tevatron, and the advent of the data emerging from the LHC, these interactions can provide a clear and strong indication of unparticle physics and distinguish this model from other beyond the standard model scenarios.« less

Carers' interactions with patients suffering from severe dementia: a difficult balance to facilitate mutual togetherness.

PubMed

Hansebo, Görel; Kihlgren, Mona

2002-03-01

1. A phenomenological-hermeneutic approach was used to illuminate carers' video-recorded interactions in connection with supervision for individualized nursing care. 2. In order to disclose any changes in the carers' interactions with patients suffering from severe dementia the video recordings were conducted before, during and after the intervention. 3. The content of the videos was transcribed as a text, mainly verbal communication. Due to the rich data the videos and text were kept together as a whole in every step of the analysis. 4. After an initial naïve understanding, different subthemes emerged in the structural analyses: promoting competence, struggling for co-operation, deep communication for communion, showing respect for the unique person, skills in balancing power, distance in a negative point of view, and fragmentary nursing situations. 5. The overall theme was 'Carers' balancing in their interactions, verbal as well as non-verbal, to promote a sense of mutual togetherness with the patient'. 6. The supervision intervention contributed to an improvement in carers' skills in balancing in their interactions. In the caring process carers' and patients' shared experiences and, due to patients' disabilities, interactions depended mainly on carers' qualities and capabilities for this confirming nursing care.

An Interactive Computer Package for Use with Simulation Models Which Performs Multidimensional Sensitivity Analysis by Employing the Techniques of Response Surface Methodology.

DTIC Science & Technology

1984-12-01

total sum of squares at the center points minus the correction factor for the mean at the center points ( SSpe =Y’Y-nlY), where n1 is the number of...SSlac=SSres- SSpe ). The sum of squares due to pure error estimates 0" and the sum of squares due to lack-of-fit estimates 0’" plus a bias term if...Response Surface Methodology Source d.f. SS MS Regression n b’X1 Y b’XVY/n Residual rn-n Y’Y-b’X’ *Y (Y’Y-b’X’Y)/(n-n) Pure Error ni-i Y’Y-nl1Y SSpe / (ni

Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters.

PubMed

Kramer, Christian; Gedeck, Peter; Meuwly, Markus

2013-03-12

Distributed atomic multipole (MTP) moments promise significant improvements over point charges (PCs) in molecular force fields, as they (a) more realistically reproduce the ab initio electrostatic potential (ESP) and (b) allow to capture anisotropic atomic properties such as lone pairs, conjugated systems, and σ holes. The present work focuses on the question of whether multipolar electrostatics instead of PCs in standard force fields leads to quantitative improvements over point charges in reproducing intermolecular interactions. To this end, the interaction energies of two model systems, benzonitrile (BZN) and formamide (FAM) homodimers, are characterized over a wide range of dimer conformations. It is found that although with MTPs the monomer ab initio ESP can be captured better by about an order of magnitude compared to point charges (PCs), this does not directly translate into better describing ab initio interaction energies compared to PCs. Neither ESP-fitted MTPs nor refitted Lennard-Jones (LJ) parameters alone demonstrate a clear superiority of atomic MTPs. We show that only if both electrostatic and LJ parameters are jointly optimized in standard, nonpolarizable force fields, atomic are MTPs clearly beneficial for reproducing ab initio dimerization energies. After an exhaustive exponent scan, we find that for both BZN and FAM, atomic MTPs and a 9-6 LJ potential can reproduce ab initio interaction energies with ∼30% (RMSD 0.13 vs 0.18 kcal/mol) less error than point charges (PCs) and a 12-6 LJ potential. We also find that the improvement due to using MTPs with a 9-6 LJ potential is considerably more pronounced than with a 12-6 LJ potential (≈ 10%; RMSD 0.19 versus 0.21 kcal/mol).

Bark beetles (Scolytidae, Coleoptera) in Slovenia with special regard to species in burnt pine forests

Treesearch

Maja Jurc

2003-01-01

Ecological conditions in Slovenia are very complex and heterogeneous due to the influence and interaction among the various climatic, tectonic, edaphic, orographic, lithologic - transitional (ecotonic) regions. Slovenia is a meeting-point of the Alps, the Mediterranean, the Dinaric Mountain Region and the Pannonian Lowland. This complexity of ecological factors has...

Congestion relaxation due to density-dependent junction rules in TASEP network

NASA Astrophysics Data System (ADS)

Tannai, Takahiro; Nishinari, Katsuhiro

2017-09-01

We now consider a small network module of Totally Asymmetric Simple Exclusion Process with branching and aggregation points, and rules of junctions dependent on the densities of segments of the network module. We also focus on the interaction among junctions which are branching and aggregation. The interaction among junctions with density-dependent rules possesses more complexity than those with density-independent rules studied in the previous papers. In conclusion, we confirm the result that density-dependent rules enable vehicles to move more effectively than the density-independent rules.

Full toroidal imaging of non-axisymmetric plasma material interaction in the National Spherical Torus Experiment divertor.

PubMed

Scotti, Filippo; Roquemore, A L; Soukhanovskii, V A

2012-10-01

A pair of two dimensional fast cameras with a wide angle view (allowing a full radial and toroidal coverage of the lower divertor) was installed in the National Spherical Torus Experiment in order to monitor non-axisymmetric effects. A custom polar remapping procedure and an absolute photometric calibration enabled the easier visualization and quantitative analysis of non-axisymmetric plasma material interaction (e.g., strike point splitting due to application of 3D fields and effects of toroidally asymmetric plasma facing components).

TASEP of interacting particles of arbitrary size

NASA Astrophysics Data System (ADS)

Narasimhan, S. L.; Baumgaertner, A.

2017-10-01

A mean-field description of the stationary state behaviour of interacting k-mers performing totally asymmetric exclusion processes (TASEP) on an open lattice segment is presented employing the discrete Takahashi formalism. It is shown how the maximal current and the phase diagram, including triple-points, depend on the strength of repulsive and attractive interactions. We compare the mean-field results with Monte Carlo simulation of three types interacting k-mers: monomers, dimers and trimers. (a) We find that the Takahashi estimates of the maximal current agree quantitatively with those of the Monte Carlo simulation in the absence of interaction as well as in both the the attractive and the strongly repulsive regimes. However, theory and Monte Carlo results disagree in the range of weak repulsion, where the Takahashi estimates of the maximal current show a monotonic behaviour, whereas the Monte Carlo data show a peaking behaviour. It is argued that the peaking of the maximal current is due to a correlated motion of the particles. In the limit of very strong repulsion the theory predicts a universal behavior: th maximal currents of k-mers correspond to that of non-interacting (k+1) -mers; (b) Monte Carlo estimates of the triple-points for monomers, dimers and trimers show an interesting general behaviour : (i) the phase boundaries α * and β* for entry and exit current, respectively, as function of interaction strengths show maxima for α* whereas β * exhibit minima at the same strength; (ii) in the attractive regime, however, the trend is reversed (β * > α * ). The Takahashi estimates of the triple-point for monomers show a similar trend as the Monte Carlo data except for the peaking of α * ; for dimers and trimers, however, the Takahashi estimates show an opposite trend as compared to the Monte Carlo data.

The neutrino–neutrino interaction effects in supernovae: The point of view from the ‘matter’ basis

DOE PAGES

Galais, Sebastien; Kneller, James; Volpe, Cristina

2012-01-19

We consider the Hamiltonian for neutrino oscillations in matter in the case of arbitrary potentials including off-diagonal complex terms. We derive the expressions for the corresponding Hamiltonian in the basis of the instantaneous eigenstates in matter, in terms of quantities one can derive from the flavor-basis Hamiltonian and its derivative, for an arbitrary number of neutrino flavors. We make our expressions explicit for the two-neutrino flavor case and apply our results to the neutrino propagation in core-collapse supernovae where the Hamiltonian includes both coupling to matter and to neutrinos. We show that the neutrino flavor evolution depends on the mixingmore » matrix derivatives involving not only the derivative of the matter mixing angles but also of the phases. In particular, we point out the important role of the phase derivatives, that appear due to the neutrino-neutrino interaction, and show how it can cause an oscillating degeneracy between the diagonal elements of the Hamiltonian in the basis of the eigenstates in matter. Lastly, our results also reveal that the end of the synchronization regime is due to a rapid increase of the phase derivative and identify the condition to be fulfilled for the onset of bipolar oscillations involving both the off-diagonal neutrino-neutrino interaction contributions and the vacuum terms.« less

Design and Assessment of Online, Interactive Tutorials That Teach Science Process Skills.

PubMed

Kramer, Maxwell; Olson, Dalay; Walker, J D

2018-06-01

Explicit emphasis on teaching science process skills leads to both gains in the skills themselves and, strikingly, deeper understanding of content. Here, we created and tested a series of online, interactive tutorials with the goal of helping undergraduate students develop science process skills. We designed the tutorials in accordance with evidence-based multimedia design principles and student feedback from usability testing. We then tested the efficacy of the tutorials in an introductory undergraduate biology class. On the basis of a multivariate ordinary least-squares regression model, students who received the tutorials are predicted to score 0.82 points higher on a 15-point science process skill assessment than their peers who received traditional textbook instruction on the same topic. This moderate but significant impact indicates that well-designed online tutorials can be more effective than traditional ways of teaching science process skills to undergraduate students. We also found trends that suggest the tutorials are especially effective for nonnative English-speaking students. However, due to a limited sample size, we were unable to confirm that these trends occurred due to more than just variation in the student group sampled.

Single event effects in high-energy accelerators

NASA Astrophysics Data System (ADS)

García Alía, Rubén; Brugger, Markus; Danzeca, Salvatore; Cerutti, Francesco; de Carvalho Saraiva, Joao Pedro; Denz, Reiner; Ferrari, Alfredo; Foro, Lionel L.; Peronnard, Paul; Røed, Ketil; Secondo, Raffaello; Steckert, Jens; Thurel, Yves; Toccafondo, Iacocpo; Uznanski, Slawosz

2017-03-01

The radiation environment encountered at high-energy hadron accelerators strongly differs from the environment relevant for space applications. The mixed-field expected at modern accelerators is composed of charged and neutral hadrons (protons, pions, kaons and neutrons), photons, electrons, positrons and muons, ranging from very low (thermal) energies up to the TeV range. This complex field, which is extensively simulated by Monte Carlo codes (e.g. FLUKA) is due to beam losses in the experimental areas, distributed along the machine (e.g. collimation points) and deriving from the interaction with the residual gas inside the beam pipe. The resulting intensity, energy distribution and proportion of the different particles largely depends on the distance and angle with respect to the interaction point as well as the amount of installed shielding material. Electronics operating in the vicinity of the accelerator will therefore be subject to both cumulative damage from radiation (total ionizing dose, displacement damage) as well as single event effects which can seriously compromise the operation of the machine. This, combined with the extensive use of commercial-off-the-shelf components due to budget, performance and availability reasons, results in the need to carefully characterize the response of the devices and systems to representative radiation conditions.

Functions of key residues in the ligand-binding pocket of vitamin D receptor: Fragment molecular orbital interfragment interaction energy analysis

NASA Astrophysics Data System (ADS)

Yamagishi, Kenji; Yamamoto, Keiko; Yamada, Sachiko; Tokiwa, Hiroaki

2006-03-01

Fragment molecular orbital-interfragment interaction energy calculations of the vitamin D receptor (VDR)/1α,25-dihydroxyvitamin D 3 complex were utilized to assign functions of key residues of the VDR. Only one residue forms a significant interaction with the corresponding hydroxy group of the ligand, although two residues are located around each hydroxy group. The degradation of binding affinity for derivatives upon removal of a hydroxy group is closely related to the trend in the strength of the hydrogen bonds. Type II hereditary rickets due to an Arg274 point mutation is caused by the lack of the strongest hydrogen bond.

On a neutral particle with permanent magnetic dipole moment in a magnetic medium

NASA Astrophysics Data System (ADS)

Bakke, K.; Salvador, C.

2018-03-01

We investigate quantum effects that stem from the interaction of a permanent magnetic dipole moment of a neutral particle with an electric field in a magnetic medium. We consider a long non-conductor cylinder that possesses a uniform distribution of electric charges and a non-uniform magnetization. We discuss the possibility of achieving this non-uniform magnetization from the experimental point of view. Besides, due to this non-uniform magnetization, the permanent magnetic dipole moment of the neutral particle also interacts with a non-uniform magnetic field. This interaction gives rise to a linear scalar potential. Then, we show that bound states solutions to the Schrödinger-Pauli equation can be achieved.

A superellipsoid-plane model for simulating foot-ground contact during human gait.

PubMed

Lopes, D S; Neptune, R R; Ambrósio, J A; Silva, M T

2016-01-01

Musculoskeletal models and forward dynamics simulations of human movement often include foot-ground interactions, with the foot-ground contact forces often determined using a constitutive model that depends on material properties and contact kinematics. When using soft constraints to model the foot-ground interactions, the kinematics of the minimum distance between the foot and planar ground needs to be computed. Due to their geometric simplicity, a considerable number of studies have used point-plane elements to represent these interacting bodies, but few studies have provided comparisons between point contact elements and other geometrically based analytical solutions. The objective of this work was to develop a more general-purpose superellipsoid-plane contact model that can be used to determine the three-dimensional foot-ground contact forces. As an example application, the model was used in a forward dynamics simulation of human walking. Simulation results and execution times were compared with a point-like viscoelastic contact model. Both models produced realistic ground reaction forces and kinematics with similar computational efficiency. However, solving the equations of motion with the surface contact model was found to be more efficient (~18% faster), and on average numerically ~37% less stiff. The superellipsoid-plane elements are also more versatile than point-like elements in that they allow for volumetric contact during three-dimensional motions (e.g. rotating, rolling, and sliding). In addition, the superellipsoid-plane element is geometrically accurate and easily integrated within multibody simulation code. These advantages make the use of superellipsoid-plane contact models in musculoskeletal simulations an appealing alternative to point-like elements.

Intermolecular orbital interaction in π systems

NASA Astrophysics Data System (ADS)

Zhao, Rundong; Zhang, Rui-Qin

2018-04-01

Intermolecular interactions, in regard to which people tend to emphasise the noncovalent van der Waals (vdW) forces when conducting investigations throughout chemistry, can influence the structure, stability and function of molecules and materials. Despite the ubiquitous nature of vdW interactions, a simplified electrostatic model has been popularly adopted to explain common intermolecular interactions, especially those existing in π-involved systems. However, this classical model has come under fire in revealing specific issues such as substituent effects, due to its roughness; and it has been followed in past decades by sundry explanations which sometimes bring in nebulous descriptions. In this account, we try to summarise and present a unified model for describing and analysing the binding mechanism of such systems from the viewpoint of energy decomposition. We also emphasise a commonly ignored factor - orbital interaction, pointing out that the noncovalent intermolecular orbital interactions actually exhibit similar bonding and antibonding phenomena as those in covalent bonds.

Adhesion signals of phospholipid vesicles at an electrified interface.

PubMed

DeNardis, Nadica Ivošević; Žutić, Vera; Svetličić, Vesna; Frkanec, Ruža

2012-09-01

General adhesion behavior of phospholipid vesicles was examined in a wide range of potentials at the mercury electrode by recording time-resolved adhesion signals. It was demonstrated that adhesion-based detection is sensitive to polar headgroups in phospholipid vesicles. We identified a narrow potential window around the point of zero charge of the electrode where the interaction of polar headgroups of phosphatidylcholine vesicles with the substrate is manifested in the form of bidirectional signals. The bidirectional signal is composed of the charge flow due to the nonspecific interaction of vesicle adhesion and spreading and of the charge flow due to a specific interaction of the negatively charged electrode and the most exposed positively charged choline headgroups. These signals are expected to appear only when the electrode surface charge density is less than the surface charge density of the choline groups at the contact interface. In comparison, for the negatively charged phosphatidylserine vesicles, we identified the potential window at the mercury electrode where charge compensation takes place, and bidirectional signals were not detected.

TNF{alpha} induced FOXP3-NF{kappa}B interaction dampens the tumor suppressor role of FOXP3 in gastric cancer cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hao, Qiang; Li, Weina; Zhang, Cun

2013-01-04

Highlights: Black-Right-Pointing-Pointer FOXP3 inhibition of cell proliferation is p21-dependent under basal conditions. Black-Right-Pointing-Pointer Inflammation induced by TNF{alpha} inhibits the tumor suppressor role of FOXP3. Black-Right-Pointing-Pointer Interaction between p65 and FOXP3 inhibits p21 transcription activation. -- Abstract: Controversial roles of FOXP3 in different cancers have been reported previously, while its role in gastric cancer is largely unknown. Here we found that FOXP3 is unexpectedly upregulated in some gastric cancer cells. To test whether increased FOXP3 remains the tumor suppressor role in gastric cancer as seen in other cancers, we test its function in cell proliferation both at basal and TNF{alpha} mimickedmore » inflammatory condition. Compared with the proliferation inhibitory role observed in basal condition, FOXP3 is insufficient to inhibit the cell proliferation under TNF{alpha} treatment. Molecularly, we found that TNF{alpha} induced an interaction between FOXP3 and p65, which in turn drive the FOXP3 away from the promoter of the well known target p21. Our data here suggest that although FOXP3 is upregulated in gastric cancer, its tumor suppressor role has been dampened due to the inflammation environment.« less

Earth-Moon Libration Point Orbit Stationkeeping: Theory, Modeling and Operations

NASA Technical Reports Server (NTRS)

Folta, David C.; Pavlak, Thomas A.; Haapala, Amanda F.; Howell, Kathleen C.; Woodard, Mark A.

2013-01-01

Collinear Earth-Moon libration points have emerged as locations with immediate applications. These libration point orbits are inherently unstable and must be maintained regularly which constrains operations and maneuver locations. Stationkeeping is challenging due to relatively short time scales for divergence effects of large orbital eccentricity of the secondary body, and third-body perturbations. Using the Acceleration Reconnection and Turbulence and Electrodynamics of the Moon's Interaction with the Sun (ARTEMIS) mission orbit as a platform, the fundamental behavior of the trajectories is explored using Poincare maps in the circular restricted three-body problem. Operational stationkeeping results obtained using the Optimal Continuation Strategy are presented and compared to orbit stability information generated from mode analysis based in dynamical systems theory.

Bloch oscillations as generators of polarons in a 1D crystal

NASA Astrophysics Data System (ADS)

Nazareno, H. N.; Brito, P. E. de

2016-08-01

The main purpose of this work is to characterize the kind of propagation/localization of carriers in a one-dimensional crystalline structure along the tight-binding model while the electron-phonon interaction is taken into account through a deformation potential and the system is under the action of a dc electric field. The lattice was treated in the classical formalism of harmonic vibrations. A remarkable effect is obtained due to the presence of the electric field. On one side the particle performs Bloch oscillations and at the same time it interacts with the lattice and as a result at each turning point of its trajectory phonons are generated that carry with them a fraction of the electronic wave packet, it is the polaron formation. This way the Bloch oscillations pump polarons into the system. We explain why the polaron is formed at returning points of the oscillations.

Dephasing Catastrophe in 4-ε Dimensions: A Possible Instability of the Ergodic (Many-Body-Delocalized) Phase.

PubMed

Liao, Yunxiang; Foster, Matthew S

2018-06-08

In two dimensions, dephasing by a bath cuts off Anderson localization that would otherwise occur at any energy density for fermions with disorder. For an isolated system with short-range interactions, the system can be its own bath, exhibiting diffusive (non-Markovian) thermal density fluctuations. We recast the dephasing of weak localization due to a diffusive bath as a self-interacting polymer loop. We investigate the critical behavior of the loop in d=4-ε dimensions, and find a nontrivial fixed point corresponding to a temperature T^{*}∼ε>0 where the dephasing time diverges. Assuming that this fixed point survives to ε=2, we associate it with a possible instability of the ergodic phase. Our approach may open a new line of attack against the problem of the ergodic to many-body-localized phase transition in d>1 spatial dimensions.

Dephasing Catastrophe in 4 -ɛ Dimensions: A Possible Instability of the Ergodic (Many-Body-Delocalized) Phase

NASA Astrophysics Data System (ADS)

Liao, Yunxiang; Foster, Matthew S.

2018-06-01

In two dimensions, dephasing by a bath cuts off Anderson localization that would otherwise occur at any energy density for fermions with disorder. For an isolated system with short-range interactions, the system can be its own bath, exhibiting diffusive (non-Markovian) thermal density fluctuations. We recast the dephasing of weak localization due to a diffusive bath as a self-interacting polymer loop. We investigate the critical behavior of the loop in d =4 -ɛ dimensions, and find a nontrivial fixed point corresponding to a temperature T*˜ɛ >0 where the dephasing time diverges. Assuming that this fixed point survives to ɛ =2 , we associate it with a possible instability of the ergodic phase. Our approach may open a new line of attack against the problem of the ergodic to many-body-localized phase transition in d >1 spatial dimensions.

Comparison of 3D ion velocity distribution measurements and models in the vicinity of an absorbing boundary oriented obliquely to a magnetic field

NASA Astrophysics Data System (ADS)

Henriquez, Miguel F.; Thompson, Derek S.; Kenily, Shane; Khaziev, Rinat; Good, Timothy N.; McIlvain, Julianne; Siddiqui, M. Umair; Curreli, Davide; Scime, Earl E.

2016-10-01

Understanding particle distributions in plasma boundary regions is critical to predicting plasma-surface interactions. Ions in the presheath exhibit complex behavior because of collisions and due to the presence of boundary-localized electric fields. Complete understanding of particle dynamics is necessary for understanding the critical problems of tokamak wall loading and Hall thruster channel wall erosion. We report measurements of 3D argon ion velocity distribution functions (IVDFs) in the vicinity of an absorbing boundary oriented obliquely to a background magnetic field. Measurements were obtained via argon ion laser induced fluorescence throughout a spatial volume upstream of the boundary. These distribution functions reveal kinetic details that provide a point-to-point check on particle-in-cell and 1D3V Boltzmann simulations. We present the results of this comparison and discuss some implications for plasma boundary interaction physics.

Ab-initio calculations on melting of thorium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, D., E-mail: debojyoti@barc.gov.in; Sahoo, B. D.; Joshi, K. D.

2016-05-23

Ab-initio molecular dynamics study has been performed on face centered cubic structured thorium to determine its melting temperature at room pressure. The ion-electron interaction potential energy calculated as a function of temperature for three volumes (a{sub 0}){sup 3} and (1.02a{sub 0}){sup 3} and (1.04a{sub 0}){sup 3} increases gradually with temperature and undergoes a sharp jump at ~2200 K, ~2100 K and ~1800 K, respectively. Here, a{sub 0} = 5.043 Å is the equilibrium lattice parameter at 0 K obtained from ab-initio calculations. These jumps in interaction energy are treated as due to the onset of melting and corresponding temperatures asmore » melting point. The melting point of 2100 K is close to the experimental value of 2023 K. Further, the same has been verified by plotting the atomic arrangement evolved at various temperatures and corresponding pair correlation functions.« less

Influence of hopping self-energy effects and quasiparticle degradation on the antiferromagnetic ordering in the bilayer honeycomb Hubbard model

NASA Astrophysics Data System (ADS)

Honerkamp, Carsten

2017-12-01

We study the Hubbard model on the AB-stacked bilayer honeycomb lattice with a repulsive on-site interaction U in second-order perturbation theory and in self-consistent random phase approximation. We determine the changes in the antiferromagnetic magnetic ordering tendencies due to the real and imaginary parts of the self-energy at the band crossing points. In particular, we present an estimate for the threshold value U* below which the magnetic order is endangered by the splitting of the quadratic band touching points into four Dirac points by an interaction-induced interlayer skew hopping. For most of the parameter space, however, the quasiparticle degradation by the frequency-dependence of the sublattice-diagonal self-energies and the Dirac-cone steepening are more essential for suppressing the AF ordering tendencies considerably. Our results might help to understand the energy scales obtained in renormalization group treatments of the same model and shed light on recent quantum Monte Carlo investigations about the fate of the magnetic ordering down to lower U .

Functional dissection of the Hox protein Abdominal-B in Drosophila cell culture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhai, Zongzhao; CellNetworks - Cluster of Excellence, Centre for Organismal Studies; Graduate School of Chinese Academy of Sciences, Beijing 100039

2011-11-04

Highlights: Black-Right-Pointing-Pointer ct340 CRM was identified to be the posterior spiracle enhancer of gene cut. Black-Right-Pointing-Pointer ct340 is under the direct transcriptional control of Hox protein Abd-B. Black-Right-Pointing-Pointer An efficient cloning system was developed to assay protein-DNA interaction. Black-Right-Pointing-Pointer New features of Abd-B dependent target gene regulation were detected. -- Abstract: Hox transcription factors regulate the morphogenesis along the anterior-posterior (A/P) body axis through the interaction with small cis-regulatory modules (CRMs) of their target gene, however so far very few Hox CRMs are known and have been analyzed in detail. In this study we have identified a new Hox CRM,more » ct340, which guides the expression of the cell type specification gene cut (ct) in the posterior spiracle under the direct control of the Hox protein Abdominal-B (Abd-B). Using the ct340 enhancer activity as readout, an efficient cloning system to generate VP16 activation domain fusion protein was developed to unambiguously test protein-DNA interaction in Drosophila cell culture. By functionally dissecting the Abd-B protein, new features of Abd-B dependent target gene regulation were detected. Due to its easy adaptability, this system can be generally used to map functional domains within sequence-specific transcriptional factors in Drosophila cell culture, and thus provide preliminary knowledge of the protein functional domain structure for further in vivo analysis.« less

Smart Point Cloud: Definition and Remaining Challenges

NASA Astrophysics Data System (ADS)

Poux, F.; Hallot, P.; Neuville, R.; Billen, R.

2016-10-01

Dealing with coloured point cloud acquired from terrestrial laser scanner, this paper identifies remaining challenges for a new data structure: the smart point cloud. This concept arises with the statement that massive and discretized spatial information from active remote sensing technology is often underused due to data mining limitations. The generalisation of point cloud data associated with the heterogeneity and temporality of such datasets is the main issue regarding structure, segmentation, classification, and interaction for an immediate understanding. We propose to use both point cloud properties and human knowledge through machine learning to rapidly extract pertinent information, using user-centered information (smart data) rather than raw data. A review of feature detection, machine learning frameworks and database systems indexed both for mining queries and data visualisation is studied. Based on existing approaches, we propose a new 3-block flexible framework around device expertise, analytic expertise and domain base reflexion. This contribution serves as the first step for the realisation of a comprehensive smart point cloud data structure.

Anomalous finite-size effect due to quasidegenerate phases in triangular antiferromagnets with long-range interactions and mapping to the generalized six-state clock model

NASA Astrophysics Data System (ADS)

Nishino, Masamichi; Miyashita, Seiji

2016-11-01

The effect of long-range (LR) interactions on frustrated-spin models is an interesting problem, which provides rich ordering processes. We study the effect of LR interactions on triangular Ising antiferromagnets with the next-nearest-neighbor ferromagnetic interaction (TIAFF). In the thermodynamic limit, the LRTIAFF model should reproduce the corresponding mean-field results, in which successive phase transitions occur among various phases, i.e., the disordered paramagnetic phase, so-called partially disordered phase, three-sublattice ferrimagnetic phase, and two-sublattice ferrimagnetic phase. In the present paper we focus on the magnetic susceptibility at the transition point between the two-sublattice ferrimagnetic and the disordered paramagnetic phases at relatively large ferromagnetic interactions. In the mean-field analysis, the magnetic susceptibility shows no divergence at the transition point. In contrast, a divergencelike enhancement of the susceptibility is observed in Monte Carlo simulations in finite-size systems. We investigate the origin of this difference and find that it is attributed to a virtual degeneracy of the free energies of the partially disordered and 2-FR phases. We also exploit a generalized six-state clock model with an LR interaction, which is a more general system with Z6 symmetry. We discuss the phase diagram of this model and find that it exhibits richer transition patterns and contains the physics of the LRTIAFF model.

Weakly and strongly coupled Belousov-Zhabotinsky patterns.

PubMed

Weiss, Stephan; Deegan, Robert D

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Weakly and strongly coupled Belousov-Zhabotinsky patterns

NASA Astrophysics Data System (ADS)

Weiss, Stephan; Deegan, Robert D.

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Density Functional Calculations of Native Defects in CH 3 NH 3 PbI 3 : Effects of Spin–Orbit Coupling and Self-Interaction Error

DOE PAGES

Du, Mao-Hua

2015-04-02

We know that native point defects play an important role in carrier transport properties of CH3NH3PbI3. However, the nature of many important defects remains controversial due partly to the conflicting results reported by recent density functional theory (DFT) calculations. In this Letter, we show that self-interaction error and the neglect of spin–orbit coupling (SOC) in many previous DFT calculations resulted in incorrect positions of valence and conduction band edges, although their difference, which is the band gap, is in good agreement with the experimental value. Moreover, this problem has led to incorrect predictions of defect-level positions. Hybrid density functional calculations,more » which partially correct the self-interaction error and include the SOC, show that, among native point defects (including vacancies, interstitials, and antisites), only the iodine vacancy and its complexes induce deep electron and hole trapping levels inside of the band gap, acting as nonradiative recombination centers.« less

Slow-Mode MHD Wave Penetration into a Coronal Null Point due to the Mode Transmission

NASA Astrophysics Data System (ADS)

Afanasyev, Andrey N.; Uralov, Arkadiy M.

2016-11-01

Recent observations of magnetohydrodynamic oscillations and waves in solar active regions revealed their close link to quasi-periodic pulsations in flaring light curves. The nature of that link has not yet been understood in detail. In our analytical modelling we investigate propagation of slow magnetoacoustic waves in a solar active region, taking into account wave refraction and transmission of the slow magnetoacoustic mode into the fast one. The wave propagation is analysed in the geometrical acoustics approximation. Special attention is paid to the penetration of waves in the vicinity of a magnetic null point. The modelling has shown that the interaction of slow magnetoacoustic waves with the magnetic reconnection site is possible due to the mode transmission at the equipartition level where the sound speed is equal to the Alfvén speed. The efficiency of the transmission is also calculated.

Measurements and theoretical interpretation of points of zero charge/potential of BSA protein.

PubMed

Salis, Andrea; Boström, Mathias; Medda, Luca; Cugia, Francesca; Barse, Brajesh; Parsons, Drew F; Ninham, Barry W; Monduzzi, Maura

2011-09-20

The points of zero charge/potential of proteins depend not only on pH but also on how they are measured. They depend also on background salt solution type and concentration. The protein isoelectric point (IEP) is determined by electrokinetical measurements, whereas the isoionic point (IIP) is determined by potentiometric titrations. Here we use potentiometric titration and zeta potential (ζ) measurements at different NaCl concentrations to study systematically the effect of ionic strength on the IEP and IIP of bovine serum albumin (BSA) aqueous solutions. It is found that high ionic strengths produce a shift of both points toward lower (IEP) and higher (IIP) pH values. This result was already reported more than 60 years ago. At that time, the only available theory was the purely electrostatic Debye-Hückel theory. It was not able to predict the opposite trends of IIP and IEP with ionic strength increase. Here, we extend that theory to admit both electrostatic and nonelectrostatic (NES) dispersion interactions. The use of a modified Poisson-Boltzmann equation for a simple model system (a charge regulated spherical colloidal particle in NaCl salt solutions), that includes these ion specific interactions, allows us to explain the opposite trends observed for isoelectric point (zero zeta potential) and isoionic point (zero protein charge) of BSA. At higher concentrations, an excess of the anion (with stronger NES interactions than the cation) is adsorbed at the surface due to an attractive ionic NES potential. This makes the potential relatively more negative. Consequently, the IEP is pushed toward lower pH. But the charge regulation condition means that the surface charge becomes relatively more positive as the surface potential becomes more negative. Consequently, the IIP (measuring charge) shifts toward higher pH as concentration increases, in the opposite direction from the IEP (measuring potential). © 2011 American Chemical Society

Coliform and metal contamination in Lago de Colina, a recreational water body in Chihuahua State, Mexico.

PubMed

Rubio-Arias, Hector; Rey, Nora I; Quintana, Rey M; Nevarez, G Virginia; Palacios, Oskar

2011-06-01

Lago de Colina (Colina Lake) is located about 180 km south of the city of Chihuahua (Mexico), and during the Semana Santa (Holy Week) vacation period its recreational use is high. The objective of this study was to quantify coliform and heavy metal levels in this water body before and after the Holy Week vacation period in 2010. Twenty sampling points were randomly selected and two water samples were collected at each point near the surface (0.30 m) and at 1 m depth. After the Holy Week vacation the same twenty points were sampled at the same depths. Therefore, a total 80 water samples were analyzed for fecal and total coliforms and levels of the following metals: Al, As, B, Ca, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Se, Si and Zn. It was hypothesized that domestic tourism contaminated this water body, and as a consequence, could have a negative impact on visitor health. An analysis of variance (ANOVA) study was performed for each element and its interactions considering a factorial design where factor A was sample date and factor B was sample depth. Fecal coliforms were only detected at eight sampling points in the first week, but after Holy Week, both fecal and total coliforms were detected at most sampling points. The concentrations of Al, B, Na, Ni and Se were only statistically different for factor A. The levels of Cr, Cu, K and Mg was different for both date and depth, but the dual factor interaction was not significant. The amount of Ca and Zn was statistically different due to date, depth and their interaction. No significant differences were found for any factor or the interaction for the elements As, Fe and Mn. Because of the consistent results, it is concluded that local tourism is contaminating the recreational area of Colina Lake, Chihuahua, Mexico.

Coliform and Metal Contamination in Lago de Colina, a Recreational Water Body in Chihuahua State, Mexico

PubMed Central

Rubio-Arias, Hector; Rey, Nora I.; Quintana, Rey M.; Nevarez, G. Virginia; Palacios, Oskar

2011-01-01

Lago de Colina (Colina Lake) is located about 180 km south of the city of Chihuahua (Mexico), and during the Semana Santa (Holy Week) vacation period its recreational use is high. The objective of this study was to quantify coliform and heavy metal levels in this water body before and after the Holy Week vacation period in 2010. Twenty sampling points were randomly selected and two water samples were collected at each point near the surface (0.30 m) and at 1 m depth. After the Holy Week vacation the same twenty points were sampled at the same depths. Therefore, a total 80 water samples were analyzed for fecal and total coliforms and levels of the following metals: Al, As, B, Ca, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Se, Si and Zn. It was hypothesized that domestic tourism contaminated this water body, and as a consequence, could have a negative impact on visitor health. An analysis of variance (ANOVA) study was performed for each element and its interactions considering a factorial design where factor A was sample date and factor B was sample depth. Fecal coliforms were only detected at eight sampling points in the first week, but after Holy Week, both fecal and total coliforms were detected at most sampling points. The concentrations of Al, B, Na, Ni and Se were only statistically different for factor A. The levels of Cr, Cu, K and Mg was different for both date and depth, but the dual factor interaction was not significant. The amount of Ca and Zn was statistically different due to date, depth and their interaction. No significant differences were found for any factor or the interaction for the elements As, Fe and Mn. Because of the consistent results, it is concluded that local tourism is contaminating the recreational area of Colina Lake, Chihuahua, Mexico. PMID:21776236

Adaptive training algorithm for robot-assisted upper-arm rehabilitation, applicable to individualised and therapeutic human-robot interaction.

PubMed

Chemuturi, Radhika; Amirabdollahian, Farshid; Dautenhahn, Kerstin

2013-09-28

Rehabilitation robotics is progressing towards developing robots that can be used as advanced tools to augment the role of a therapist. These robots are capable of not only offering more frequent and more accessible therapies but also providing new insights into treatment effectiveness based on their ability to measure interaction parameters. A requirement for having more advanced therapies is to identify how robots can 'adapt' to each individual's needs at different stages of recovery. Hence, our research focused on developing an adaptive interface for the GENTLE/A rehabilitation system. The interface was based on a lead-lag performance model utilising the interaction between the human and the robot. The goal of the present study was to test the adaptability of the GENTLE/A system to the performance of the user. Point-to-point movements were executed using the HapticMaster (HM) robotic arm, the main component of the GENTLE/A rehabilitation system. The points were displayed as balls on the screen and some of the points also had a real object, providing a test-bed for the human-robot interaction (HRI) experiment. The HM was operated in various modes to test the adaptability of the GENTLE/A system based on the leading/lagging performance of the user. Thirty-two healthy participants took part in the experiment comprising of a training phase followed by the actual-performance phase. The leading or lagging role of the participant could be used successfully to adjust the duration required by that participant to execute point-to-point movements, in various modes of robot operation and under various conditions. The adaptability of the GENTLE/A system was clearly evident from the durations recorded. The regression results showed that the participants required lower execution times with the help from a real object when compared to just a virtual object. The 'reaching away' movements were longer to execute when compared to the 'returning towards' movements irrespective of the influence of the gravity on the direction of the movement. The GENTLE/A system was able to adapt so that the duration required to execute point-to-point movement was according to the leading or lagging performance of the user with respect to the robot. This adaptability could be useful in the clinical settings when stroke subjects interact with the system and could also serve as an assessment parameter across various interaction sessions. As the system adapts to user input, and as the task becomes easier through practice, the robot would auto-tune for more demanding and challenging interactions. The improvement in performance of the participants in an embedded environment when compared to a virtual environment also shows promise for clinical applicability, to be tested in due time. Studying the physiology of upper arm to understand the muscle groups involved, and their influence on various movements executed during this study forms a key part of our future work.

A Spark Chamber With Thin Electrodes and a Study of the Position of the Alignment Point; KAMERA S TONKIMI ELEKTRODAMI IZUCHENIE POLOZHENIYA TOCHKI SPRYAMLENIYA ISKRY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Legar, F.; Nikanorov, V.I.; Peter, G.

1964-01-01

A technique for making the foil electrodes with twosided working surface for spark chambers is described. Some characteristics of spark chambers with thin electrodes are given. The variation of the distance from the negative electrode to the alignment point of a spark with the energy of the detected particles and the angie of their passage through the charaber was studied. It is shown that with the increasing initial density of the gas ionization in the chamber the Townsend coefficient a becomes greater due to the charge interaction of avalanches. (auth)

Self-Consistent Monte Carlo Study of the Coulomb Interaction under Nano-Scale Device Structures

NASA Astrophysics Data System (ADS)

Sano, Nobuyuki

2011-03-01

It has been pointed that the Coulomb interaction between the electrons is expected to be of crucial importance to predict reliable device characteristics. In particular, the device performance is greatly degraded due to the plasmon excitation represented by dynamical potential fluctuations in high-doped source and drain regions by the channel electrons. We employ the self-consistent 3D Monte Carlo (MC) simulations, which could reproduce both the correct mobility under various electron concentrations and the collective plasma waves, to study the physical impact of dynamical potential fluctuations on device performance under the Double-gate MOSFETs. The average force experienced by an electron due to the Coulomb interaction inside the device is evaluated by performing the self-consistent MC simulations and the fixed-potential MC simulations without the Coulomb interaction. Also, the band-tailing associated with the local potential fluctuations in high-doped source region is quantitatively evaluated and it is found that the band-tailing becomes strongly dependent of position in real space even inside the uniform source region. This work was partially supported by Grants-in-Aid for Scientific Research B (No. 2160160) from the Ministry of Education, Culture, Sports, Science and Technology in Japan.

Quantum corrections to non-Abelian SUSY theories on orbifolds

NASA Astrophysics Data System (ADS)

Groot Nibbelink, Stefan; Hillenbach, Mark

2006-07-01

We consider supersymmetric non-Abelian gauge theories coupled to hyper multiplets on five and six dimensional orbifolds, S/Z and T/Z, respectively. We compute the bulk and local fixed point renormalizations of the gauge couplings. To this end we extend supergraph techniques to these orbifolds by defining orbifold compatible delta functions. We develop their properties in detail. To cancel the bulk one-loop divergences the bulk gauge kinetic terms and dimension six higher derivative operators are required. The gauge couplings renormalize at the Z fixed points due to vector multiplet self interactions; the hyper multiplet renormalizes only non- Z fixed points. In 6D the Wess-Zumino-Witten term and a higher derivative analogue have to renormalize in the bulk as well to preserve 6D gauge invariance.

Hamiltonian mean-field model: effect of temporal perturbation in coupling matrix

NASA Astrophysics Data System (ADS)

Bhadra, Nivedita; Patra, Soumen K.

2018-05-01

The Hamiltonian mean-field (HMF) model is a system of fully coupled rotators which exhibits a second-order phase transition at some critical energy in its canonical ensemble. We investigate the case where the interaction between the rotors is governed by a time-dependent coupling matrix. Our numerical study reveals a shift in the critical point due to the temporal modulation. The shift in the critical point is shown to be independent of the modulation frequency above some threshold value, whereas the impact of the amplitude of modulation is dominant. In the microcanonical ensemble, the system with constant coupling reaches a quasi-stationary state (QSS) at an energy near the critical point. Our result indicates that the QSS subsists in presence of such temporal modulation of the coupling parameter.

133Cs nuclear magnetic resonance study of one-dimensional fluctuations in CsH2PO4 and its ferroelectric and antiferroelectric transitions at high pressure

NASA Astrophysics Data System (ADS)

Schuele, Paul J.; Schmidt, V. Hugo

1989-02-01

Pressure and temperature effects on the one dimensional (1D) and higher-dimensionality correlations associated with the ferroelectric and antiferroelectric phase transitions in cesium dihydrogen phosphate were studied by means of the 133Cs nuclear magnetic resonance (NMR) spin-lattice relaxation time T1. We measured T1 at 6.5 MHz at temperatures down to the ferroelectric (FE) Curie point TC at 1 bar and at 1.5 and 3.0 kbar, down to the triple point Tt=124.6 K at 3.3 kbar, and down to the antiferroelectric (AFE) Néel point TN at 3.6 kbar. With decreasing temperature, T1 first decreases exponentially due to 1D fluctuations associated with the Jb interactions in disordered hydrogen-bonded chains running along b. As the temperature falls further, T1 then decreases linearly as the Jc interaction between these chains in hydrogen-bonded planes comes into play. From these results and the known pressure derivatives of TC and TN, we calculated pressure dependences for Jb, Jc, and for the interplanar interaction Ja. At 3.3 kbar Ja changes sign, so the plane stacking becomes AFE instead of FE. Above 8.9 kbar, where Jc extrapolates to zero, a new AFE phase with a checkerboard arrangement of FE b chains is predicted.

Potential surfaces for O atom-polymer reactions

NASA Technical Reports Server (NTRS)

Laskowski, B. C.; Jaffe, R. L.

1987-01-01

Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

Mean Field Games for Stochastic Growth with Relative Utility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Minyi, E-mail: mhuang@math.carleton.ca; Nguyen, Son Luu, E-mail: sonluu.nguyen@upr.edu

This paper considers continuous time stochastic growth-consumption optimization in a mean field game setting. The individual capital stock evolution is determined by a Cobb–Douglas production function, consumption and stochastic depreciation. The individual utility functional combines an own utility and a relative utility with respect to the population. The use of the relative utility reflects human psychology, leading to a natural pattern of mean field interaction. The fixed point equation of the mean field game is derived with the aid of some ordinary differential equations. Due to the relative utility interaction, our performance analysis depends on some ratio based approximation errormore » estimate.« less

Spectra of hadrons and muons in the atmosphere: primary spectra, characteristics of hadron-air interactions

NASA Astrophysics Data System (ADS)

Yushkov, A. V.; Lagutin, A. A.

2008-01-01

Self-consistency of interaction models QGSJET 01, SIBYLL 2.1, NEXUS 3.97 and QGSJET II is checked in terms of their ability to reproduce simultaneously experimental data on fluxes of muons and hadrons. From this point of view SIBYLL 2.1 gives the most acceptable, though not quite satisfactory, results. Analysis of the situation for muons supports our previous conclusions, that the high-energy muon deficit is due both to underestimation of primary light nuclei fluxes in direct emulsion chamber experiments and to softness of p+A→π, K+X inclusive spectra in fragmentation region, especially prominent in case of QGSJET 01 model.

Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy.

PubMed

Nakamura, Tatsuya; Matsumoto, Masakazu; Yagasaki, Takuma; Tanaka, Hideki

2016-03-03

We investigate why no hydrogen-disordered form of ice II has been found in nature despite the fact that most of hydrogen-ordered ices have hydrogen-disordered counterparts. The thermodynamic stability of a set of hydrogen-ordered ice II variants relative to ice II is evaluated theoretically. It is found that ice II is more stable than the disordered variants so generated as to satisfy the simple ice rule due to the lower zero-point energy as well as the pair interaction energy. The residual entropy of the disordered ice II phase gradually compensates the unfavorable free energy with increasing temperature. The crossover, however, occurs at a high temperature well above the melting point of ice III. Consequently, the hydrogen-disordered phase does not exist in nature. The thermodynamic stability of partially hydrogen-disordered ices is also scrutinized by examining the free-energy components of several variants obtained by systematic inversion of OH directions in ice II. The potential energy of one variant is lower than that of the ice II structure, but its Gibbs free energy is slightly higher than that of ice II due to the zero-point energy. The slight difference in the thermodynamic stability leaves the possibility of the partial hydrogen-disorder in real ice II.

Unified Numerical Solver for Device Metastabilities in CdTe Thin-Film PV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasileska, Dragica

Thin-film modules of all technologies often suffer from performance degradation over time. Some of the performance changes are reversible and some are not, which makes deployment, testing, and energy-yield prediction more challenging. Manufacturers de-vote significant empirical efforts to study these phenomena and to improve semiconduc-tor device stability. Still, understanding the underlying reasons of these instabilities re-mains clouded due to the lack of ability to characterize materials at atomistic levels and the lack of interpretation from the most fundamental material science. The most com-monly alleged causes of metastability in CdTe device, such as “migration of Cu,” have been investigated rigorously overmore » the past fifteen years. Still, the discussion often ended prematurely with stating observed correlations between stress conditions and changes in atomic profiles of impurities or CV doping concentration. Multiple hypotheses sug-gesting degradation of CdTe solar cell devices due to interaction and evolution of point defects and complexes were proposed, and none of them received strong theoretical or experimental confirmation. It should be noted that atomic impurity profiles in CdTe pro-vide very little intelligence on active doping concentrations. The same elements could form different energy states, which could be either donors or acceptors, depending on their position in crystalline lattice. Defects interact with other extrinsic and intrinsic de-fects; for example, changing the state of an impurity from an interstitial donor to a sub-stitutional acceptor often is accompanied by generation of a compensating intrinsic in-terstitial donor defect. Moreover, all defects, intrinsic and extrinsic, interact with the elec-trical potential and free carriers so that charged defects may drift in the electric field and the local electrical potential affects the formation energy of the point defects. Such complexity of interactions in CdTe makes understanding of temporal changes in device performance even more challenging and a closed solution that can treat the entire sys-tem and its interactions is required.« less

Electrical circuit modeling and analysis of microwave acoustic interaction with biological tissues.

PubMed

Gao, Fei; Zheng, Qian; Zheng, Yuanjin

2014-05-01

Numerical study of microwave imaging and microwave-induced thermoacoustic imaging utilizes finite difference time domain (FDTD) analysis for simulation of microwave and acoustic interaction with biological tissues, which is time consuming due to complex grid-segmentation and numerous calculations, not straightforward due to no analytical solution and physical explanation, and incompatible with hardware development requiring circuit simulator such as SPICE. In this paper, instead of conventional FDTD numerical simulation, an equivalent electrical circuit model is proposed to model the microwave acoustic interaction with biological tissues for fast simulation and quantitative analysis in both one and two dimensions (2D). The equivalent circuit of ideal point-like tissue for microwave-acoustic interaction is proposed including transmission line, voltage-controlled current source, envelop detector, and resistor-inductor-capacitor (RLC) network, to model the microwave scattering, thermal expansion, and acoustic generation. Based on which, two-port network of the point-like tissue is built and characterized using pseudo S-parameters and transducer gain. Two dimensional circuit network including acoustic scatterer and acoustic channel is also constructed to model the 2D spatial information and acoustic scattering effect in heterogeneous medium. Both FDTD simulation, circuit simulation, and experimental measurement are performed to compare the results in terms of time domain, frequency domain, and pseudo S-parameters characterization. 2D circuit network simulation is also performed under different scenarios including different sizes of tumors and the effect of acoustic scatterer. The proposed circuit model of microwave acoustic interaction with biological tissue could give good agreement with FDTD simulated and experimental measured results. The pseudo S-parameters and characteristic gain could globally evaluate the performance of tumor detection. The 2D circuit network enables the potential to combine the quasi-numerical simulation and circuit simulation in a uniform simulator for codesign and simulation of a microwave acoustic imaging system, bridging bioeffect study and hardware development seamlessly.

Metastability and reliability of CdTe solar cells

NASA Astrophysics Data System (ADS)

Guo, Da; Brinkman, Daniel; Shaik, Abdul R.; Ringhofer, Christian; Vasileska, Dragica

2018-04-01

Thin-film modules of all technologies often suffer from performance degradation over time. Some of the performance changes are reversible and some are not, which makes deployment, testing, and energy-yield prediction more challenging. Manufacturers devote significant empirical efforts to study these phenomena and to improve semiconductor device stability. Still, understanding the underlying reasons of these instabilities remains clouded due to the lack of ability to characterize materials at atomistic levels and the lack of interpretation from the most fundamental material science. The most commonly alleged causes of metastability in CdTe devices, such as ‘migration of Cu’, have been investigated rigorously over the past fifteen years. Still, the discussion often ended prematurely with stating observed correlations between stress conditions and changes in atomic profiles of impurities or CV doping concentration. Multiple hypotheses suggesting degradation of CdTe solar cell devices due to interaction and evolution of point defects and complexes were proposed, and none of them received strong theoretical or experimental confirmation. It should be noted that atomic impurity profiles in CdTe provide very little intelligence on active doping concentrations. The same elements could form different energy states, which could be either donors or acceptors, depending on their position in crystalline lattice. Defects interact with other extrinsic and intrinsic defects; for example, changing the state of an impurity from an interstitial donor to a substitutional acceptor often is accompanied by generation of a compensating intrinsic interstitial donor defect. Moreover, all defects, intrinsic and extrinsic, interact with the electrical potential and free carriers so that charged defects may drift in the electric field and the local electrical potential affects the formation energy of the point defects. Such complexity of interactions in CdTe makes understanding of temporal changes in device performance even more challenging and a closed solution that can treat the entire system and its interactions is required.

Band gap modulation of graphene by metal substrate: A first principles study

NASA Astrophysics Data System (ADS)

Sahoo, Mihir Ranjan; Sahu, Sivabrata; Kushwaha, Anoop Kumar; Nayak, S. K.

2018-04-01

Due to high in-plane charge carrier mobility with high electron velocity and long spin diffusion length, graphene guarantees as a completely unique material for devices with various applications. Unaffected 2pz orbitals of carbon atoms in graphene can be highly influenced by substrates and leads to tuning in electronic properties. We report here a density functional calculation of graphene monolayer based on metallic substrate like nickel surfaces. Band-gap of graphene near K points opens due to interactions between 2pz and d-orbitals of nickel atoms and the gap modulation can be done with the increasing number of layers of substrates.

Internal wave observations made with an airborne synthetic aperture imaging radar

NASA Technical Reports Server (NTRS)

Elachi, C.; Apel, J. R.

1976-01-01

Synthetic aperture L-band radar flown aboard the NASA CV-990 has observed periodic striations on the ocean surface off the coast of Alaska which have been interpreted as tidally excited oceanic internal waves of less than 500 m length. These radar images are compared to photographic imagery of similar waves taken from Landsat 1. Both the radar and Landsat images reveal variations in reflectivity across each wave in a packet that range from low to high to normal. The variations point to the simultaneous existence of two mechanisms for the surface signatures of internal waves: roughening due to wave-current interactions, and smoothing due to slick formation.

Mobile Wireless Sensor Networks for Advanced Soil Sensing and Ecosystem Monitoring

NASA Astrophysics Data System (ADS)

Mollenhauer, Hannes; Schima, Robert; Remmler, Paul; Mollenhauer, Olaf; Hutschenreuther, Tino; Toepfer, Hannes; Dietrich, Peter; Bumberger, Jan

2015-04-01

For an adequate characterization of ecosystems it is necessary to detect individual processes with suitable monitoring strategies and methods. Due to the natural complexity of all environmental compartments, single point or temporally and spatially fixed measurements are mostly insufficient for an adequate representation. The application of mobile wireless sensor networks for soil and atmosphere sensing offers significant benefits, due to the simple adjustment of the sensor distribution, the sensor types and the sample rate (e.g. by using optimization approaches or event triggering modes) to the local test conditions. This can be essential for the monitoring of heterogeneous and dynamic environmental systems and processes. One significant advantage in the application of mobile ad-hoc wireless sensor networks is their self-organizing behavior. Thus, the network autonomously initializes and optimizes itself. Due to the localization via satellite a major reduction in installation and operation costs and time is generated. In addition, single point measurements with a sensor are significantly improved by measuring at several optimized points continuously. Since performing analog and digital signal processing and computation in the sensor nodes close to the sensors a significant reduction of the data to be transmitted can be achieved which leads to a better energy management of nodes. Furthermore, the miniaturization of the nodes and energy harvesting are current topics under investigation. First results of field measurements are given to present the potentials and limitations of this application in environmental science. In particular, collected in-situ data with numerous specific soil and atmosphere parameters per sensor node (more than 25) recorded over several days illustrates the high performance of this system for advanced soil sensing and soil-atmosphere interaction monitoring. Moreover, investigations of biotic and abiotic process interactions and optimization of sensor positioning for measuring soil moisture are scopes of this work and initial results of these issues will be presented.

On the origin of the angular momentum of galaxies: cosmological tidal torques supplemented by the Coriolis force

NASA Astrophysics Data System (ADS)

Casuso, E.; Beckman, J. E.

2015-05-01

We present here a theoretical model which can at least contribute to the observed relation between the specific angular momenta of galaxies and their masses. This study offers prima facie evidence that the origin of an angular momentum of galaxies could be somewhat more complex than previously proposed. The most recent observations point to a scenario in which, after recombination, matter was organized around bubbles (commonly termed voids), which acquired rotation by tidal torque interaction. Subsequently, a combination of the effects of the gravitational collapse of gas in protogalaxies and the Coriolis force due to the rotation of the voids could produce the rotation of spiral galaxies. Thereafter, the tidal interaction between the objects populating the quasi-spherical voids, in which the galaxies far away from the rotation axes (populating the sheet forming the surface of a void) interact with higher probability with others similarly situated in a neighbouring void, offers a mechanism for transforming some of the galaxies into ellipticals, breaking their spin and yielding galaxies with low net angular momentum, as observed. This model gives an explanation for those observations which suggest a tendency of galactic spins to align along the radius vectors pointing towards the centres of the voids for ellipticals/SO and parallel to filaments and sheets for the spirals. Furthermore, while in simple tidal torque theory the angular momentum supplied to galaxies diminishes drastically with the cosmic expansion, in our approximation for which the Coriolis force acts in addition to tidal torques, the Coriolis force due to void rotation ensures almost continuous angular momentum supply.

Hyperfine Interactions in the Electron Paramagnetic Resonance Spectra of Point Defects in Wide-Band-Gap Semiconductors

DTIC Science & Technology

2014-09-18

compensation) during growth due to their preferred trivalent charge states. The electron paramagnetic resonance spectrum of the singly ionized chromium ...neutral nitrogen acceptor in ZnO . . . . . . . . . . . . . . . . . . 45 16 Spectrum of the singly ionized chromium acceptor in TiO2 . . . . . . . . . 49...is a single crystal of magnesium oxide that has been doped with chromium . Chromium Cr3+ substitutes for magnesium Mg2+ and creates a paramagnetic

Interaction study on bovine serum albumin physically binding to silver nanoparticles: Evolution from discrete conjugates to protein coronas

NASA Astrophysics Data System (ADS)

Guo, Jun; Zhong, Ruibo; Li, Wanrong; Liu, Yushuang; Bai, Zhijun; Yin, Jun; Liu, Jingran; Gong, Pei; Zhao, Xinmin; Zhang, Feng

2015-12-01

The nanostructures formed by inorganic nanoparticles together with organic molecules especially biomolecules have attracted increasing attention from both industries and researching fields due to their unique hybrid properties. In this paper, we systemically studied the interactions between amphiphilic polymer coated silver nanoparticles and bovine serum albumins by employing the fluorescence quenching approach in combination with the Stern-Volmer and Hill equations. The binding affinity was determined to 1.30 × 107 M-1 and the interaction was spontaneously driven by mainly the van der Waals force and hydrogen-bond mediated interactions, and negatively cooperative from the point of view of thermodynamics. With the non-uniform coating of amphiphilic polymer, the silver nanoparticles can form protein coronas which can become discrete protein-nanoparticle conjugates when controlling their molar ratios of mixing. The protein's conformational changes upon binding nanoparticles was also studied by using the three-dimensional fluorescence spectroscopy.

Control-structure interaction/mirror motion compensation

NASA Technical Reports Server (NTRS)

Mclaren, Mark; Chu, Peter; Price, Xen

1992-01-01

Space Systems/Loral (formerly Ford Aerospace, Space Systems Division) has implemented a rigid-body Mirror Motion Compensation (MMC) scheme for the GOES-I/M spacecraft currently being built for NASA and NOAA. This has resulted in a factor of 15 reduction in pointing error due to rigid-body spacecraft motion induced by the periodic black-body calibration maneuvers required for the instruments. For GOES the spacecraft and the payload mirrors are considered as rigid bodies. The structural flexibility effects are small and are included in the total pointing budget as a separate item. This paper extends the MMC technique to include structural flexibility. For large multi-payload platforms, the structural flexibility effects can be more important in sensor pointing jitter as the result of payload motion. Sensitivity results are included to show the importance of the dynamic model fidelity.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oh, Yohan; Chung, Kwang Chul, E-mail: kchung@yonsei.ac.kr

Highlights: Black-Right-Pointing-Pointer ZNF131 directly interacts with ER{alpha}. Black-Right-Pointing-Pointer The binding affinity of ZNF131 to ER{alpha} increases upon E2 stimulation. Black-Right-Pointing-Pointer ZNF131 inhibits ER{alpha}-mediated trans-activation by suppressing its homo-dimerization. Black-Right-Pointing-Pointer ZNF131 inhibits ER{alpha}-dimerization and E2-induced breast cancer cell proliferation. Black-Right-Pointing-Pointer ZNF131 inhibits estrogen signaling by acting as an ER{alpha}-co-repressor. -- Abstract: Steroid hormone estrogen elicits various physiological functions, many of which are mediated through two structurally and functionally distinct estrogen receptors, ER{alpha} and ER{beta}. The functional role of zinc finger protein 131 (ZNF131) is poorly understood, but it is assumed to possess transcriptional regulation activity due to the presence of amore » DNA binding motif. A few recent reports, including ours, revealed that ZNF131 acts as a negative regulator of ER{alpha} and that SUMO modification potentiates the negative effect of ZNF131 on estrogen signaling. However, its molecular mechanism for ER{alpha} inhibition has not been elucidated in detail. Here, we demonstrate that ZNF131 directly interacts with ER{alpha}, which consequently inhibits ER{alpha}-mediated trans-activation by suppressing its homo-dimerization. Moreover, we show that the C-terminal region of ZNF131 containing the SUMOylation site is necessary for its inhibition of estrogen signaling. Taken together, these data suggest that ZNF131 inhibits estrogen signaling by acting as an ER{alpha}-co-repressor.« less

Strain-induced topological magnon phase transitions: applications to kagome-lattice ferromagnets

NASA Astrophysics Data System (ADS)

Owerre, S. A.

2018-06-01

A common feature of topological insulators is that they are characterized by topologically invariant quantity such as the Chern number and the index. This quantity distinguishes a nontrivial topological system from a trivial one. A topological phase transition may occur when there are two topologically distinct phases, and it is usually defined by a gap closing point where the topologically invariant quantity is ill-defined. In this paper, we show that the magnon bands in the strained (distorted) kagome-lattice ferromagnets realize an example of a topological magnon phase transition in the realistic parameter regime of the system. When spin–orbit coupling (SOC) is neglected (i.e. no Dzyaloshinskii–Moriya interaction), we show that all three magnon branches are dispersive with no flat band, and there exists a critical point where tilted Dirac and semi-Dirac point coexist in the magnon spectra. The critical point separates two gapless magnon phases as opposed to the usual phase transition. Upon the inclusion of SOC, we realize a topological magnon phase transition point at the critical strain , where D and J denote the perturbative SOC and the Heisenberg spin exchange interaction respectively. It separates two distinct topological magnon phases with different Chern numbers for and for . The associated anomalous thermal Hall conductivity develops an abrupt change at , due to the divergence of the Berry curvature in momentum space. The proposed topological magnon phase transition is experimentally feasible by applying external perturbations such as uniaxial strain or pressure.

Jumping liquid metal droplet in electrolyte triggered by solid metal particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Jianbo; University of Chinese Academy of Sciences, Beijing 100049; Wang, Junjie

2016-05-30

We report the electron discharge effect due to point contact between liquid metal and solid metal particles in electrolyte. Adding nickel particles induces drastic hydrogen generating and intermittent jumping of a sub-millimeter EGaIn droplet in NaOH solution. Observations from different orientations disclose that such jumping behavior is triggered by pressurized bubbles under the assistance of interfacial interactions. Hydrogen evolution around particles provides clear evidence that such electric instability originates from the varied electric potential and morphology between the two metallic materials. The point-contact-induced charge concentration significantly enhances the near-surface electric field intensity at the particle tips and thus causes electricmore » breakdown of the electrolyte.« less

Impact of point mutation P29S in RAC1 on tumorigenesis.

PubMed

Rajendran, Vidya; Gopalakrishnan, Chandrasekhar; Purohit, Rituraj

2016-11-01

A point mutation (P29S) in the RAS-related C3 botulinum toxin substrate 1 (RAC1) was considered to be a trigger for melanoma, a form of skin cancer with highest mortality rate. In this study, we have investigated the pathogenic role of P29S based on the conformational behavior of RAC1 protein toward guanosine triphosphate (GTP). Molecular interaction, molecular dynamics trajectory analysis (RMSD, RMSF, Rg, SASA, DSSP, and PCA), and shape analysis of binding pocket were performed to analyze the interaction energy and the dynamic behavior of native and mutant RAC1 at the atomic level. Due to this mutation, the RAC1 switch I region acquired more flexibility and, to compensate it, the switch II region becomes rigid in their conformational space, as a result of which the interaction energy of the protein for GTP increased. The overall results strongly implied that the changes in atomic conformation of the switch I and II regions in mutant RAC1 protein were a significant reason for its malignant transformation and tumorigenesis. We raised the opportunity for researchers to design possible therapeutic molecule by considering our findings.

Quantum description of light propagation in generalized media

NASA Astrophysics Data System (ADS)

Häyrynen, Teppo; Oksanen, Jani

2016-02-01

Linear quantum input-output relation based models are widely applied to describe the light propagation in a lossy medium. The details of the interaction and the associated added noise depend on whether the device is configured to operate as an amplifier or an attenuator. Using the traveling wave (TW) approach, we generalize the linear material model to simultaneously account for both the emission and absorption processes and to have point-wise defined noise field statistics and intensity dependent interaction strengths. Thus, our approach describes the quantum input-output relations of linear media with net attenuation, amplification or transparency without pre-selection of the operation point. The TW approach is then applied to investigate materials at thermal equilibrium, inverted materials, the transparency limit where losses are compensated, and the saturating amplifiers. We also apply the approach to investigate media in nonuniform states which can be e.g. consequences of a temperature gradient over the medium or a position dependent inversion of the amplifier. Furthermore, by using the generalized model we investigate devices with intensity dependent interactions and show how an initial thermal field transforms to a field having coherent statistics due to gain saturation.

On the transferability of electron density in binary vanadium borides VB, V3B4 and VB2.

PubMed

Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I; Borrmann, Horst; Grin, Yuri

2015-12-01

Binary vanadium borides are suitable model systems for a systematic analysis of the transferability concept in intermetallic compounds due to chemical intergrowth in their crystal structures. In order to underline this structural relationship, topological properties of the electron density in VB, V3B4 and VB2 reconstructed from high-resolution single-crystal X-ray diffraction data as well as derived from quantum chemical calculations, are analysed in terms of Bader's Quantum Theory of Atoms in Molecules [Bader (1990). Atoms in Molecules: A Quantum Theory, 1st ed. Oxford: Clarendon Press]. The compounds VB, V3B4 and VB2 are characterized by a charge transfer from the metal to boron together with two predominant atomic interactions, the shared covalent B-B interactions and the polar covalent B-M interactions. The resembling features of the crystal structures are well reflected by the respective B-B interatomic distances as well as by ρ(r) values at the B-B bond critical points. The latter decrease with an increase in the corresponding interatomic distances. The B-B bonds show transferable electron density properties at bond critical points depending on the respective bond distances.

DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites

PubMed Central

Gowthaman, Ragul; Lyskov, Sergey; Karanicolas, John

2015-01-01

Over the past decade, protein-protein interactions have emerged as attractive but challenging targets for therapeutic intervention using small molecules. Due to the relatively flat surfaces that typify protein interaction sites, modern virtual screening tools developed for optimal performance against “traditional” protein targets perform less well when applied instead at protein interaction sites. Previously, we described a docking method specifically catered to the shallow binding modes characteristic of small-molecule inhibitors of protein interaction sites. This method, called DARC (Docking Approach using Ray Casting), operates by comparing the topography of the protein surface when “viewed” from a vantage point inside the protein against the topography of a bound ligand when “viewed” from the same vantage point. Here, we present five key enhancements to DARC. First, we use multiple vantage points to more accurately determine protein-ligand surface complementarity. Second, we describe a new scheme for rapidly determining optimal weights in the DARC scoring function. Third, we incorporate sampling of ligand conformers “on-the-fly” during docking. Fourth, we move beyond simple shape complementarity and introduce a term in the scoring function to capture electrostatic complementarity. Finally, we adjust the control flow in our GPU implementation of DARC to achieve greater speedup of these calculations. At each step of this study, we evaluate the performance of DARC in a “pose recapitulation” experiment: predicting the binding mode of 25 inhibitors each solved in complex with its distinct target protein (a protein interaction site). Whereas the previous version of DARC docked only one of these inhibitors to within 2 Å RMSD of its position in the crystal structure, the newer version achieves this level of accuracy for 12 of the 25 complexes, corresponding to a statistically significant performance improvement (p < 0.001). Collectively then, we find that the five enhancements described here – which together make up DARC 2.0 – lead to dramatically improved speed and performance relative to the original DARC method. PMID:26181386

Physical scales in the Wigner-Boltzmann equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nedjalkov, M., E-mail: mixi@iue.tuwien.ac.at; Selberherr, S.; Ferry, D.K.

2013-01-15

The Wigner-Boltzmann equation provides the Wigner single particle theory with interactions with bosonic degrees of freedom associated with harmonic oscillators, such as phonons in solids. Quantum evolution is an interplay of two transport modes, corresponding to the common coherent particle-potential processes, or to the decoherence causing scattering due to the oscillators. Which evolution mode will dominate depends on the scales of the involved physical quantities. A dimensionless formulation of the Wigner-Boltzmann equation is obtained, where these scales appear as dimensionless strength parameters. A notion called scaling theorem is derived, linking the strength parameters to the coupling with the oscillators. Itmore » is shown that an increase of this coupling is equivalent to a reduction of both the strength of the electric potential, and the coherence length. Secondly, the existence of classes of physically different, but mathematically equivalent setups of the Wigner-Boltzmann evolution is demonstrated. - Highlights: Black-Right-Pointing-Pointer Dimensionless parameters determine the ratio of quantum or classical WB evolution. Black-Right-Pointing-Pointer The scaling theorem evaluates the decoherence effect due to scattering. Black-Right-Pointing-Pointer Evolution processes are grouped into classes of equivalence.« less

Role of four-fermion interaction and impurity in the states of two-dimensional semi-Dirac materials.

PubMed

Wang, Jing

2018-03-28

We study the effects of four-fermion interaction and impurity on the low-energy states of 2D semi-Dirac materials by virtue of the unbiased renormalization group approach. The coupled flow equations that govern the energy-dependent evolutions of all correlated interaction parameters are derived after taking into account one-loop corrections from the interplay between four-fermion interaction and impurity. Whether and how four-fermion interaction and impurity influence the low-energy properties of 2D semi-Dirac materials are discreetly explored and addressed attentively. After carrying out the standard renormalization group analysis, we find that both trivial insulating and nontrivial semimetal states are qualitatively stable against all four kinds of four-fermion interactions. However, while switching on both four-fermion interaction and impurity, certain insulator-semimetal phase transitions and the distance of Dirac nodal points can be respectively induced and modified due to their strong interplay and intimate competition. Moreover, several non-Fermi liquid behaviors that deviate from the conventional Fermi liquids are exhibited at the lowest-energy limit.

Role of four-fermion interaction and impurity in the states of two-dimensional semi-Dirac materials

NASA Astrophysics Data System (ADS)

Wang, Jing

2018-03-01

We study the effects of four-fermion interaction and impurity on the low-energy states of 2D semi-Dirac materials by virtue of the unbiased renormalization group approach. The coupled flow equations that govern the energy-dependent evolutions of all correlated interaction parameters are derived after taking into account one-loop corrections from the interplay between four-fermion interaction and impurity. Whether and how four-fermion interaction and impurity influence the low-energy properties of 2D semi-Dirac materials are discreetly explored and addressed attentively. After carrying out the standard renormalization group analysis, we find that both trivial insulating and nontrivial semimetal states are qualitatively stable against all four kinds of four-fermion interactions. However, while switching on both four-fermion interaction and impurity, certain insulator-semimetal phase transitions and the distance of Dirac nodal points can be respectively induced and modified due to their strong interplay and intimate competition. Moreover, several non-Fermi liquid behaviors that deviate from the conventional Fermi liquids are exhibited at the lowest-energy limit.

Acoustic Analysis of a Sandwich Non Metallic Panel for Roofs by FEM and Experimental Validation

NASA Astrophysics Data System (ADS)

Nieto, P. J. García; del Coz Díaz, J. J.; Vilán, J. A. Vilán; Rabanal, F. P. Alvarez

2007-12-01

In this paper we have studied the acoustic behavior of a sandwich non metallic panel for roofs by the finite element method (FEM). This new field of analysis is the fully coupled solution of fluid flows with structural interactions, commonly referred to as fluid-structure interaction (FSI). It is the natural next step to take in the simulation of mechanical systems. The finite element analysis of acoustic-fluid/structure interactions using potential-based or displacement-based Lagrangian formulations is now well established. The non-linearity is due to the `fluid-structure interaction' (FSI) that governs the problem. In a very considerable range of problems the fluid displacement remains small while interaction is substantial. In this category falls our problem, in which the structural motion influence and react with the generation of pressures in two reverberation rooms. The characteristic of acoustic insulation of the panel is calculated basing on the pressures for different frequencies and points in the transmission rooms. Finally the conclusions reached are shown.

Spin–orbit DFT with Analytic Gradients and Applications to Heavy Element Compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zhiyong

We have implemented the unrestricted DFT approach with one-electron spin–orbit operators in the massively parallel NWChem program. Also implemented is the analytic gradient in the DFT approach with spin–orbit interactions. The current capabilities include single-point calculations and geometry optimization. Vibrational frequencies can be calculated numerically from the analytically calculated gradients. The implementation is based on the spin–orbit interaction operator derived from the effective core potential approach. The exchange functionals used in the implementation are functionals derived for non-spin–orbit calculations, including GGA as well as hybrid functionals. Spin–orbit Hartree–Fock calculations can also be carried out. We have applied the spin–orbit DFTmore » methods to the Uranyl aqua complexes. We have optimized the structures and calculated the vibrational frequencies of both (UO2 2+)aq and (UO2 +)aq with and without spin–orbit effects. The effects of the spin–orbit interaction on the structures and frequencies of these two complexes are discussed. We also carried out calculations for Th2, and several low-lying electronic states are calculated. Our results indicate that, for open-shell systems, there are significant effects due to the spin–orbit effects and the electronic configurations with and without spin–orbit interactions could change due to the occupation of orbitals of larger spin–orbit interactions.« less

Mesoscopic structure formation in condensed matter due to vacuum fluctuations

NASA Astrophysics Data System (ADS)

Sen, Siddhartha; Gupta, Kumar S.; Coey, J. M. D.

2015-10-01

An observable influence of zero-point fluctuations of the vacuum electromagnetic field on bound electrons is well known in the hydrogen atom, where it produces the Lamb shift. Here, we adapt an approach used to explain the Lamb shift in terms of a slight expansion of the orbits due to interaction with the zero-point field and apply it to assemblies of N electrons that are modeled as independent atomically bound two-level systems. The effect is to stabilize a collective ground-state energy, which leads to a prediction of novel effects at room temperature for quasi-two-dimensional systems over a range of parameters in the model, namely, N , the two-level excitation energy ℏ ω and the ionization energy ℏ ω +ɛ . Some mesoscopic systems where these effects may be observable include water sheaths on protein or DNA, surfaces of gaseous nanobubbles, and the magnetic response of inhomogeneous, electronically dilute oxides. No such effects are envisaged for uniform three-dimensional systems.

Semantics of directly manipulating spatializations.

PubMed

Hu, Xinran; Bradel, Lauren; Maiti, Dipayan; House, Leanna; North, Chris; Leman, Scotland

2013-12-01

When high-dimensional data is visualized in a 2D plane by using parametric projection algorithms, users may wish to manipulate the layout of the data points to better reflect their domain knowledge or to explore alternative structures. However, few users are well-versed in the algorithms behind the visualizations, making parameter tweaking more of a guessing game than a series of decisive interactions. Translating user interactions into algorithmic input is a key component of Visual to Parametric Interaction (V2PI) [13]. Instead of adjusting parameters, users directly move data points on the screen, which then updates the underlying statistical model. However, we have found that some data points that are not moved by the user are just as important in the interactions as the data points that are moved. Users frequently move some data points with respect to some other 'unmoved' data points that they consider as spatially contextual. However, in current V2PI interactions, these points are not explicitly identified when directly manipulating the moved points. We design a richer set of interactions that makes this context more explicit, and a new algorithm and sophisticated weighting scheme that incorporates the importance of these unmoved data points into V2PI.

Combined point and distributed techniques for multidimensional estimation of spatial groundwater-stream water exchange in a heterogeneous sand bed-stream.

NASA Astrophysics Data System (ADS)

Gaona Garcia, J.; Lewandowski, J.; Bellin, A.

2017-12-01

Groundwater-stream water interactions in rivers determine water balances, but also chemical and biological processes in the streambed at different spatial and temporal scales. Due to the difficult identification and quantification of gaining, neutral and losing conditions, it is necessary to combine techniques with complementary capabilities and scale ranges. We applied this concept to a study site at the River Schlaube, East Brandenburg-Germany, a sand bed stream with intense sediment heterogeneity and complex environmental conditions. In our approach, point techniques such as temperature profiles of the streambed together with vertical hydraulic gradients provide data for the estimation of fluxes between groundwater and surface water with the numerical model 1DTempPro. On behalf of distributed techniques, fiber optic distributed temperature sensing identifies the spatial patterns of neutral, down- and up-welling areas by analysis of the changes in the thermal patterns at the streambed interface under certain flow. The study finally links point and surface temperatures to provide a method for upscaling of fluxes. Point techniques provide point flux estimates with essential depth detail to infer streambed structures while the results hardly represent the spatial distribution of fluxes caused by the heterogeneity of streambed properties. Fiber optics proved capable of providing spatial thermal patterns with enough resolution to observe distinct hyporheic thermal footprints at multiple scales. The relation of thermal footprint patterns and temporal behavior with flux results from point techniques enabled the use of methods for spatial flux estimates. The lack of detailed information of the physical driver's spatial distribution restricts the spatial flux estimation to the application of the T-proxy method, whose highly uncertain results mainly provide coarse spatial flux estimates. The study concludes that the upscaling of groundwater-stream water interactions using thermal measurements with combined point and distributed techniques requires the integration of physical drivers because of the heterogeneity of the flux patterns. Combined experimental and modeling approaches may help to obtain more reliable understanding of groundwater-surface water interactions at multiple scales.

Controllable magnetic thermal rectification in a SMM dimmer with the Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Xu, Ai-Hua; Liu, Juan; Luo, Bo

2016-10-01

Using the quantum master equation, we studied the thermally driven magnonic spin current in a single-molecule magnet (SMM) dimer with the Dzyaloshinskii-Moriya interaction (DMI). Due to the asymmetric DMI, one can observe the thermal rectifying effect in the case of the spatial symmetry coupling with the thermal reservoirs. The properties of the thermal rectification can be controlled by tuning the angle and intensity of the magnetic field. Specially, when the DM vector and magnetic field point at the specific angles, the thermal rectifying effect disappears. And this phenomenon does not depend on the intensities of DMI and magnetic field, the temperature bias and the magnetic anisotropies of the SMM.

Spin current induced by a charged tip in a quantum point contact

NASA Astrophysics Data System (ADS)

Shchamkhalova, B. S.

2017-03-01

We show that the charged tip of the probe microscope, which is widely used in studying the electron transport in low-dimensional systems, induces a spin current. The effect is caused by the spin-orbit interaction arising due to an electric field produced by the charged tip. The tip acts as a spin-flip scatterer giving rise to the spin polarization of the net current and the occurrence of a spin density in the system.

Quantifying the balance between bycatch and predator or competitor release for nontarget species.

PubMed

Aalto, Emilius A; Baskett, Marissa L

2013-07-01

If a species is bycatch in a fishery targeted at its competitor or predator, it experiences both direct anthropogenic mortality and indirect positive effects through species interactions. If the species involved interact strongly, the release from competition or predation can counteract or exceed the negative effects of bycatch. We used a set of two- and three-species community modules to analyze the relative importance of species interactions when modeling the overall effect of harvest with bycatch on a nontarget species. To measure the trade-off between direct mortality and indirect positive effects, we developed a "bycatch transition point" metric to determine, for different scenarios, what levels of bycatch shift overall harvest impact from positive to negative. Under strong direct competition with a targeted competitor, release from competition due to harvest leads to a net increase in abundance even under moderate levels of bycatch. For a three-species model with a shared obligate predator, the release from apparent competition exceeds direct competitive release and outweighs the decrease from bycatch mortality under a wide range of parameters. Therefore, in communities where a shared predator forms a strong link between the target and nontarget species, the effects of indirect interactions on populations can be larger than those of direct interactions. The bycatch transition point metric can be used for tightly linked species to evaluate the relative strengths of positive indirect effects and negative anthropogenic impacts such as bycatch, habitat degradation, and introduction of invasive species.

Renormalization group equations and the Lifshitz point in noncommutative Landau-Ginsburg theory

NASA Astrophysics Data System (ADS)

Chen, Guang-Hong; Wu, Yong-Shi

2002-02-01

A one-loop renormalization group (RG) analysis is performed for noncommutative Landau-Ginsburg theory in an arbitrary dimension. We adopt a modern version of the Wilsonian RG approach, in which a shell integration in momentum space bypasses the potential IR singularities due to UV-IR mixing. The momentum-dependent trigonometric factors in interaction vertices, characteristic of noncommutative geometry, are marginal under RG transformations, and their marginality is preserved at one loop. A negative Θ-dependent anomalous dimension is discovered as a novel effect of the UV-IR mixing. We also found a noncommutative Wilson-Fisher (NCWF) fixed point in less than four dimensions. At large noncommutativity, a momentum space instability is induced by quantum fluctuations, and a consequential first-order phase transition is identified together with a Lifshitz point in the phase diagram. In the vicinity of the Lifshitz point, we introduce two critical exponents νm and βk, whose values are determined to be 1/4 and 1/2, respectively, at mean-field level.

Asymptotic safety of quantum gravity beyond Ricci scalars

NASA Astrophysics Data System (ADS)

Falls, Kevin; King, Callum R.; Litim, Daniel F.; Nikolakopoulos, Kostas; Rahmede, Christoph

2018-04-01

We investigate the asymptotic safety conjecture for quantum gravity including curvature invariants beyond Ricci scalars. Our strategy is put to work for families of gravitational actions which depend on functions of the Ricci scalar, the Ricci tensor, and products thereof. Combining functional renormalization with high order polynomial approximations and full numerical integration we derive the renormalization group flow for all couplings and analyse their fixed points, scaling exponents, and the fixed point effective action as a function of the background Ricci curvature. The theory is characterized by three relevant couplings. Higher-dimensional couplings show near-Gaussian scaling with increasing canonical mass dimension. We find that Ricci tensor invariants stabilize the UV fixed point and lead to a rapid convergence of polynomial approximations. We apply our results to models for cosmology and establish that the gravitational fixed point admits inflationary solutions. We also compare findings with those from f (R ) -type theories in the same approximation and pin-point the key new effects due to Ricci tensor interactions. Implications for the asymptotic safety conjecture of gravity are indicated.

Study of the interactions between a proline-rich protein and a flavan-3-ol by NMR: residual structures in the natively unfolded protein provides anchorage points for the ligands.

PubMed

Pascal, Christine; Paté, Franck; Cheynier, Véronique; Delsuc, Marc-André

2009-09-01

Astringency is one of the major organoleptic properties of food and beverages that are made from plants, such as tea, chocolate, beer, or red wine. This sensation is thought to be due to interactions between tannins and salivary proline-rich proteins, which are natively unfolded proteins. A human salivary proline-rich protein, namely IB-5, was produced by the recombinant method. Its interactions with a model tannin, epigallocatechin gallate (EGCG), the major flavan-3-ol in green tea, were studied here. Circular dichroism experiments showed that IB-5 presents residual structures (PPII helices) when the ionic strength is close to that in saliva. In the presence of these residual structures, IB-5 undergoes an increase in structural content upon binding to EGCG. NMR data corroborated the presence of preformed structural elements within the protein prior to binding and a partial assignment was proposed, showing partial structuration. TOCSY experiments showed that amino acids that are involved in PPII helices are more likely to interact with EGCG than those in random coil regions, as if they were anchorage points for the ligand. The signal from IB-5 in the DOSY NMR spectrum revealed an increase in polydispersity upon addition of EGCG while the mean hydrodynamic radius remained unchanged. This strongly suggests the formation of IB-5/EGCG aggregates.

Evaluation and modeling of the eutectic composition of various drug-polyethylene glycol solid dispersions.

PubMed

Baird, Jared A; Taylor, Lynne S

2011-06-01

The purpose of this study was to gain a better understanding of which factors contribute to the eutectic composition of drug-polyethylene glycol (PEG) blends and to compare experimental values with predictions from the semi-empirical model developed by Lacoulonche et al. Eutectic compositions of various drug-PEG 3350 solid dispersions were predicted, assuming athermal mixing, and compared to experimentally determined eutectic points. The presence or absence of specific interactions between the drug and PEG 3350 were investigated using Fourier transform infrared (FT-IR) spectroscopy. The eutectic composition for haloperidol-PEG and loratadine-PEG solid dispersions was accurately predicted using the model, while predictions for aceclofenac-PEG and chlorpropamide-PEG were very different from those experimentally observed. Deviations in the model prediction from ideal behavior for the systems evaluated were confirmed to be due to the presence of specific interactions between the drug and polymer, as demonstrated by IR spectroscopy. Detailed analysis showed that the eutectic composition prediction from the model is interdependent on the crystal lattice energy of the drug compound (evaluated from the melting temperature and the heat of fusion) as well as the nature of the drug-polymer interactions. In conclusion, for compounds with melting points less than 200°C, the model is ideally suited for predicting the eutectic composition of systems where there is an absence of drug-polymer interactions.

An Efficient Method to Create Digital Terrain Models from Point Clouds Collected by Mobile LiDAR Systems

NASA Astrophysics Data System (ADS)

Gézero, L.; Antunes, C.

2017-05-01

The digital terrain models (DTM) assume an essential role in all types of road maintenance, water supply and sanitation projects. The demand of such information is more significant in developing countries, where the lack of infrastructures is higher. In recent years, the use of Mobile LiDAR Systems (MLS) proved to be a very efficient technique in the acquisition of precise and dense point clouds. These point clouds can be a solution to obtain the data for the production of DTM in remote areas, due mainly to the safety, precision, speed of acquisition and the detail of the information gathered. However, the point clouds filtering and algorithms to separate "terrain points" from "no terrain points", quickly and consistently, remain a challenge that has caught the interest of researchers. This work presents a method to create the DTM from point clouds collected by MLS. The method is based in two interactive steps. The first step of the process allows reducing the cloud point to a set of points that represent the terrain's shape, being the distance between points inversely proportional to the terrain variation. The second step is based on the Delaunay triangulation of the points resulting from the first step. The achieved results encourage a wider use of this technology as a solution for large scale DTM production in remote areas.

Inhibition of NAMPT pathway by FK866 activates the function of p53 in HEK293T cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thakur, Basant Kumar, E-mail: thakur.basant@mh-hannover.de; Department of Molecular Hematopoiesis, Hannover Medical School, Carl Neuberg Str-1, 30625 Hannover; Dittrich, Tino

2012-08-03

Highlights: Black-Right-Pointing-Pointer In 293T cells, p53 is considered to be inactive due to its interaction with the large T-antigen. Black-Right-Pointing-Pointer Acetylation of p53 at lysine 382 is important for its functional activation. Black-Right-Pointing-Pointer First evidence to document the presence of a functional p53 in 293T cells. Black-Right-Pointing-Pointer Inhibition of NAMPT/SIRT pathway by FK866 in 293T cells increases the functional activity of p53. Black-Right-Pointing-Pointer This activation of p53 involves reversible acetylation of p53 at lysine 382. -- Abstract: Inactivation of p53 protein by endogenous and exogenous carcinogens is involved in the pathogenesis of different human malignancies. In cancer associated with SV-40more » DNA tumor virus, p53 is considered to be non-functional mainly due to its interaction with the large T-antigen. Using the 293T cell line (HEK293 cells transformed with large T antigen) as a model, we provide evidence that p53 is one of the critical downstream targets involved in FK866-mediated killing of 293T cells. A reduced rate of apoptosis and an increased number of cells in S-phase was accompanied after knockdown of p53 in these cells. Inhibition of NAMPT by FK866, or inhibition of SIRT by nicotinamide decreased proliferation and triggered death of 293T cells involving the p53 acetylation pathway. Additionally, knockdown of p53 attenuated the effect of FK866 on cell proliferation, apoptosis, and cell cycle arrest. The data presented here shed light on two important facts: (1) that p53 in 293T cells is active in the presence of FK866, an inhibitor of NAMPT pathway; (2) the apoptosis induced by FK866 in 293T cells is associated with increased acetylation of p53 at Lys382, which is required for the functional activity of p53.« less

UV conformal window for asymptotic safety

NASA Astrophysics Data System (ADS)

Bond, Andrew D.; Litim, Daniel F.; Vazquez, Gustavo Medina; Steudtner, Tom

2018-02-01

Interacting fixed points in four-dimensional gauge theories coupled to matter are investigated using perturbation theory up to three loop order. It is shown how fixed points, scaling exponents, and anomalous dimensions are obtained as a systematic power series in a small parameter. The underlying ordering principle is explained and contrasted with conventional perturbation theory and Weyl consistency conditions. We then determine the conformal window with asymptotic safety from the complete next-to-next-to-leading order in perturbation theory. Limits for the conformal window arise due to fixed point mergers, the onset of strong coupling, or vacuum instability. A consistent picture is uncovered by comparing various levels of approximation. The theory remains perturbative in the entire conformal window, with vacuum stability dictating the tightest constraints. We also speculate about a secondary conformal window at strong coupling and estimate its lower limit. Implications for model building and cosmology are indicated.

Heat transfer modelling of pulsed laser-tissue interaction

NASA Astrophysics Data System (ADS)

Urzova, J.; Jelinek, M.

2018-03-01

Due to their attributes, the application of medical lasers is on the rise in numerous medical fields. From a biomedical point of view, the most interesting applications are the thermal interactions and the photoablative interactions, which effectively remove tissue without excessive heat damage to the remaining tissue. The objective of this work is to create a theoretical model for heat transfer in the tissue following its interaction with the laser beam to predict heat transfer during medical laser surgery procedures. The dimensions of the ablated crater (shape and ablation depth) were determined by computed tomography imaging. COMSOL Multiphysics software was used for temperature modelling. The parameters of tissue and blood, such as density, specific heat capacity, thermal conductivity and diffusivity, were calculated from the chemical ratio. The parameters of laser-tissue interaction, such as absorption and reflection coefficients, were experimentally determined. The parameters of the laser beam were power density, repetition frequency, pulse length and spot dimensions. Heat spreading after laser interaction with tissue was captured using a Fluke thermal camera. The model was verified for adipose tissue, skeletal muscle tissue and heart muscle tissue.

A first theoretical realization of honeycomb topological magnon insulator.

PubMed

Owerre, S A

2016-09-28

It has been recently shown that in the Heisenberg (anti)ferromagnet on the honeycomb lattice, the magnons (spin wave quasipacticles) realize a massless two-dimensional (2D) Dirac-like Hamiltonian. It was shown that the Dirac magnon Hamiltonian preserves time-reversal symmetry defined with the sublattice pseudo spins and the Dirac points are robust against magnon-magnon interactions. The Dirac points also occur at nonzero energy. In this paper, we propose a simple realization of nontrivial topology (magnon edge states) in this system. We show that the Dirac points are gapped when the inversion symmetry of the lattice is broken by introducing a next-nearest neighbour Dzyaloshinskii-Moriya (DM) interaction. Thus, the system realizes magnon edge states similar to the Haldane model for quantum anomalous Hall effect in electronic systems. However, in contrast to electronic spin current where dissipation can be very large due to Ohmic heating, noninteracting topological magnons can propagate for a long time without dissipation as magnons are uncharged particles. We observe the same magnon edge states for the XY model on the honeycomb lattice. Remarkably, in this case the model maps to interacting hardcore bosons on the honeycomb lattice. Quantum magnetic systems with nontrivial magnon edge states are called topological magnon insulators. They have been studied theoretically on the kagome lattice and recently observed experimentally on the kagome magnet Cu(1-3, bdc) with three magnon bulk bands. Our results for the honeycomb lattice suggests an experimental procedure to search for honeycomb topological magnon insulators within a class of 2D quantum magnets and ultracold atoms trapped in honeycomb optical lattices. In 3D lattices, Dirac and Weyl points were recently studied theoretically, however, the criteria that give rise to them were not well-understood. We argue that the low-energy Hamiltonian near the Weyl points should break time-reversal symmetry of the pseudo spins. Thus, recovering the same criteria in electronic systems.

Influence of hydrophobization of fumed oxides on interactions with polar and nonpolar adsorbates

NASA Astrophysics Data System (ADS)

Gun'ko, V. M.; Pakhlov, E. M.; Goncharuk, O. V.; Andriyko, L. S.; Marynin, A. I.; Ukrainets, A. I.; Charmas, B.; Skubiszewska-Zięba, J.; Blitz, J. P.

2017-11-01

A variety of unmodified and modified fumed silica A-300 and silica/titania (ST20 and ST76 at 20 and 76 wt.% of titania, respectively) was prepared to analyze features of their interactions with polar and nonpolar adsorbates. The materials were studied using nitrogen adsorption-desorption, ethanol evaporation kinetics, infrared (IR) spectroscopy, thermogravimetry (TG), photon correlation spectroscopy, differential scanning calorimetry (DSC), DSC and TG thermoporometry, and quantum chemistry. Changes in surface structure of modified nanooxides with increasing hydrophobization degree (ΘMS) from 20% to 100% have a strong affect on the textural characteristics of the materials and adsorption-desorption of various adsorbates. Confined space effects enhanced due to the location of adsorbates in narrow voids between nanoparticles lead to freezing-melting point depression for bound polar and nonpolar adsorbates. The behavior of particles of modified nanooxides in aqueous and water/ethanol media is strongly altered due to enhanced aggregations with increasing value of ΘMS. All of these change are non-monotonic functions of ΘMS which affects (i) rearrangement of nanoparticles, (ii) interactions with polar and nonpolar adsorbates, (iii) location of adsorbates in voids of different sizes, (iv) the clustering of adsorbates and formation of nearly bulk structures.

Cosmic ray-modified stellar winds. I - Solution topologies and singularities

NASA Technical Reports Server (NTRS)

Ko, C. M.; Webb, G. M.

1987-01-01

In the present two-fluid hydrodynamical model for stellar wind flow modification due to its interaction with Galactic cosmic rays, these rays are coupled to the stellar wind by either hydromagnetic wave scattering or background flow irregularity propagation. The background flow is modified by the cosmic rays via their pressure gradient. The system of equations used possesses a line of singularities in (r, u, P sub c)-space, or a two-dimensional hypersurface of singularities in (r, u, P sub c, dP sub c/dr)-space, where r, u, and P sub c are respectively the radial distance from the star, the radial wind flow speed, and the cosmic ray pressure. The singular points may be nodes, foci, or saddle points.

Quantum critical environment assisted quantum magnetometer

NASA Astrophysics Data System (ADS)

Jaseem, Noufal; Omkar, S.; Shaji, Anil

2018-04-01

A central qubit coupled to an Ising ring of N qubits, operating close to a critical point is investigated as a potential precision quantum magnetometer for estimating an applied transverse magnetic field. We compute the quantum Fisher information for the central, probe qubit with the Ising chain initialized in its ground state or in a thermal state. The non-unitary evolution of the central qubit due to its interaction with the surrounding Ising ring enhances the accuracy of the magnetic field measurement. Near the critical point of the ring, Heisenberg-like scaling of the precision in estimating the magnetic field is obtained when the ring is initialized in its ground state. However, for finite temperatures, the Heisenberg scaling is limited to lower ranges of N values.

Multipacting optimization of a 750 MHz rf dipole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delayen, Jean R.; Castillo, Alejandro

2014-12-01

Crab crossing schemes have been proposed to re-instate luminosity degradation due to crossing angles at the interaction points in next generation colliders to avoid the use of sharp bending magnets and their resulting large synchrotron radiation generation, highly undessirable in the detector region. The rf dipole has been considered for a different set of applications in several machines, both rings and linear colliders. We present in this paper a study of the effects on the multipacting levels and location depending on geometrical variations on the design for a crabbing/deflecting application in a high current (3/0.5 A), high repetition (750 MHz)more » electron/proton collider, as a matter to provide a comparison point for similar applications of rf dipoles.« less

Strain-induced topological magnon phase transitions: applications to kagome-lattice ferromagnets.

PubMed

Owerre, S A

2018-06-20

A common feature of topological insulators is that they are characterized by topologically invariant quantity such as the Chern number and the [Formula: see text] index. This quantity distinguishes a nontrivial topological system from a trivial one. A topological phase transition may occur when there are two topologically distinct phases, and it is usually defined by a gap closing point where the topologically invariant quantity is ill-defined. In this paper, we show that the magnon bands in the strained (distorted) kagome-lattice ferromagnets realize an example of a topological magnon phase transition in the realistic parameter regime of the system. When spin-orbit coupling (SOC) is neglected (i.e. no Dzyaloshinskii-Moriya interaction), we show that all three magnon branches are dispersive with no flat band, and there exists a critical point where tilted Dirac and semi-Dirac point coexist in the magnon spectra. The critical point separates two gapless magnon phases as opposed to the usual phase transition. Upon the inclusion of SOC, we realize a topological magnon phase transition point at the critical strain [Formula: see text], where D and J denote the perturbative SOC and the Heisenberg spin exchange interaction respectively. It separates two distinct topological magnon phases with different Chern numbers for [Formula: see text] and for [Formula: see text]. The associated anomalous thermal Hall conductivity develops an abrupt change at [Formula: see text], due to the divergence of the Berry curvature in momentum space. The proposed topological magnon phase transition is experimentally feasible by applying external perturbations such as uniaxial strain or pressure.

Early climate on earth-reduced gas models and early climate on Mars-reduced gas and obliquity models

NASA Technical Reports Server (NTRS)

Toon, O. B.; Sagan, C.

1978-01-01

At high obliquity, Martian polar ground temperatures could exceed the melting point of ice for considerable periods of time (approximately 90 Earth days). Under special conditions ice itself might melt. Carbon dioxide adsorbed on the Martian regolith is not expected to buffer the seasonal pressure wave except in the unlikely event that the soil pore size is very large (50 micron). For a basaltic soil composition the maximum CO2 that could be desorbed over obliquity time scales due to thermal forces is a few millibars. At low obliquities the atmospheric pressures may drop, desorbing the soil. The only means to achieve higher CO2 pressures is to have much higher planet-wide temperatures due to some greenhouse effect, or to be at an epoch before the regolith or carbonates formed. The water ice budget between north and south polar caps was considered and summer sublimation rates imply that the ice could be exchanged between the poles during obliquity cycles. A critical factor in the polar cap water budget is the interaction of water and dust. The origin of the Martian polar laminae is probably due to variations in this interaction.

Fixed point and anomaly mediation in partial {\\boldsymbol{N}}=2 supersymmetric standard models

NASA Astrophysics Data System (ADS)

Yin, Wen

2018-01-01

Motivated by the simple toroidal compactification of extra-dimensional SUSY theories, we investigate a partial N = 2 supersymmetric (SUSY) extension of the standard model which has an N = 2 SUSY sector and an N = 1 SUSY sector. We point out that below the scale of the partial breaking of N = 2 to N = 1, the ratio of Yukawa to gauge couplings embedded in the original N = 2 gauge interaction in the N = 2 sector becomes greater due to a fixed point. Since at the partial breaking scale the sfermion masses in the N = 2 sector are suppressed due to the N = 2 non-renormalization theorem, the anomaly mediation effect becomes important. If dominant, the anomaly-induced masses for the sfermions in the N = 2 sector are almost UV-insensitive due to the fixed point. Interestingly, these masses are always positive, i.e. there is no tachyonic slepton problem. From an example model, we show interesting phenomena differing from ordinary MSSM. In particular, the dark matter particle can be a sbino, i.e. the scalar component of the N = 2 vector multiplet of {{U}}{(1)}Y. To obtain the correct dark matter abundance, the mass of the sbino, as well as the MSSM sparticles in the N = 2 sector which have a typical mass pattern of anomaly mediation, is required to be small. Therefore, this scenario can be tested and confirmed in the LHC and may be further confirmed by the measurement of the N = 2 Yukawa couplings in future colliders. This model can explain dark matter, the muon g-2 anomaly, and gauge coupling unification, and relaxes some ordinary problems within the MSSM. It is also compatible with thermal leptogenesis.

Iron chalcogenide superconductors at high magnetic fields

PubMed Central

Lei, Hechang; Wang, Kefeng; Hu, Rongwei; Ryu, Hyejin; Abeykoon, Milinda; Bozin, Emil S; Petrovic, Cedomir

2012-01-01

Iron chalcogenide superconductors have become one of the most investigated superconducting materials in recent years due to high upper critical fields, competing interactions and complex electronic and magnetic phase diagrams. The structural complexity, defects and atomic site occupancies significantly affect the normal and superconducting states in these compounds. In this work we review the vortex behavior, critical current density and high magnetic field pair-breaking mechanism in iron chalcogenide superconductors. We also point to relevant structural features and normal-state properties. PMID:27877518

Suppression of superconductivity in disordered interacting wires.

PubMed

Pesin, D A; Andreev, A V

2006-09-15

We study superconductivity suppression due to thermal fluctuations in disordered wires using the replica nonlinear sigma-model (NLsigmaM). We show that in addition to the thermal phase slips there is another type of fluctuations that result in a finite resistivity. These fluctuations are described by saddle points in NLsigmaM and cannot be treated within the Ginzburg-Landau approach. The contribution of such fluctuations to the wire resistivity is evaluated with exponential accuracy. The magnetoresistance associated with this contribution is negative.

Genetic interaction analysis of point mutations enables interrogation of gene function at a residue-level resolution

PubMed Central

Braberg, Hannes; Moehle, Erica A.; Shales, Michael; Guthrie, Christine; Krogan, Nevan J.

2014-01-01

We have achieved a residue-level resolution of genetic interaction mapping – a technique that measures how the function of one gene is affected by the alteration of a second gene – by analyzing point mutations. Here, we describe how to interpret point mutant genetic interactions, and outline key applications for the approach, including interrogation of protein interaction interfaces and active sites, and examination of post-translational modifications. Genetic interaction analysis has proven effective for characterizing cellular processes; however, to date, systematic high-throughput genetic interaction screens have relied on gene deletions or knockdowns, which limits the resolution of gene function analysis and poses problems for multifunctional genes. Our point mutant approach addresses these issues, and further provides a tool for in vivo structure-function analysis that complements traditional biophysical methods. We also discuss the potential for genetic interaction mapping of point mutations in human cells and its application to personalized medicine. PMID:24842270

Numerical Study of Charged Inertial Particles in Turbulence using a Coupled Fluid-P3M Approach

NASA Astrophysics Data System (ADS)

Yao, Yuan; Capecelatro, Jesse

2017-11-01

Non-trivial interactions between charged particles and turbulence play an important role in many engineering and environmental flows, including clouds, fluidized bed reactors, charged hydrocarbon sprays and dusty plasmas. Due to the long-range nature of electrostatic forces, Coulomb interactions in systems with many particles must be handled carefully to avoid O(N2) computations. The particle-mesh (PM) method is typically employed in Eulerian-Lagrangian (EL) simulations as it avoids computing direct pairwise sums, but it fails to capture short-range interactions that are anticipated to be important when particles cluster. In this presentation, the particle-particle-particle-mesh (P3M) method that scales with O(NlogN) is implemented within a EL framework to simulate charged particles accurately in a tractable manner. The EL-P3M method is used to assess the competition between drag and Coulomb forces for a range of Stokes numbers and charges. Simulations of like- and oppositely-charged particles suspended in a two-dimensional Taylor-Green vortex and three-dimensional homogeneous isotropic turbulence are reported. One-point and two-point statistics obtained using PM and P3M are compared to assess the effect of added accuracy on collision rate and clustering.

Effect of boson on-site repulsion on the superfluidity in the boson-fermion-Hubbard model

NASA Astrophysics Data System (ADS)

Sajna, A. S.; Micnas, R.

2018-03-01

We analyze the finite-temperature phase diagram of the boson-fermion-Hubbard model with Feshbach converting interaction, using the coherent-state path-integral method. We show that depending on the position of the bosonic band, this type of interaction, even if weak, can drive the system into the resonant superfluid phase in the strong bosonic interaction limit. It turns out that this phase can exist for an arbitrary number of fermions (i.e., fermionic concentration between 0 and 2), but with the bosonic particle number very close to an integer value. We point out that the standard time-of-flight method in optical lattice experiments can be an adequate technique to confirm the existence of this resonant phase. Moreover, in the nonresonant regime, the enhancement of the critical temperature of the superfluid phase due to Feshbach interaction is also observed. We account for this interesting phenomena for a hole- or particlelike pairing mechanism depending on the system density and mutual location of the fermionic and bosonic bands.

Interacting preformed Cooper pairs in resonant Fermi gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gubbels, K. B.; Radboud University Nijmegen, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525 AJ Nijmegen; Institute for Theoretical Physics, Utrecht University, Leuvenlaan 4, NL-3584 CE Utrecht

2011-07-15

We consider the normal phase of a strongly interacting Fermi gas, which can have either an equal or an unequal number of atoms in its two accessible spin states. Due to the unitarity-limited attractive interaction between particles with different spin, noncondensed Cooper pairs are formed. The starting point in treating preformed pairs is the Nozieres-Schmitt-Rink (NSR) theory, which approximates the pairs as being noninteracting. Here, we consider the effects of the interactions between the Cooper pairs in a Wilsonian renormalization-group scheme. Starting from the exact bosonic action for the pairs, we calculate the Cooper-pair self-energy by combining the NSR formalismmore » with the Wilsonian approach. We compare our findings with the recent experiments by Harikoshi et al. [Science 327, 442 (2010)] and Nascimbene et al. [Nature (London) 463, 1057 (2010)], and find very good agreement. We also make predictions for the population-imbalanced case, which can be tested in experiments.« less

Shrinking of core neoclassical tearing mode magnetic islands due to edge localized modes and the role of ion-scale turbulence in island recovery in DIII-D

NASA Astrophysics Data System (ADS)

Bardóczi, L.; Rhodes, T. L.; Carter, T. A.; La Haye, R. J.; Bañón Navarro, A.; McKee, G. R.

2017-06-01

Experimental signature of long-wavelength turbulence accelerating the recovery of Neoclassical Tearing Mode (NTM) magnetic islands after they have been transiently reduced in size due to interaction with Edge Localized Modes (ELMs) is reported for the first time. This work shows that perturbations associated with ELMs result in peaking of the electron temperature (Te) in the O-point region of saturated core m/n = 2/1 islands (m/n being the poloidal/toroidal mode numbers). In synchronization with this Te peak, the island width shrinks by as much as 30% suggesting a key role of the Te peak in NTM stability due to modified pressure gradient (∇p) and perturbed bootstrap current (δjBS) at the O-point. Next, this Te peak relaxes via anomalous transport (i.e., the diffusivity is 2 orders of magnitude larger than the neoclassical value) and the island recovers. Long-wavelength turbulent density fluctuations ( n ˜ ) are reduced at the O-point of flat islands but these fluctuations are increased when Te is peaked which offers an explanation for the observed anomalous transport that is responsible for the relaxation of the Te peak. Linear gyrokinetic simulations indicate that n ˜ inside the peaked island is dominantly driven by the Ion Temperature Gradient instability. These measurements suggest that n ˜ accelerates NTM recovery after an ELM crash via accelerating the relaxation of ∇p at the O-point. These observations are qualitatively replicated by coupled predator-prey equations and modified Rutherford equation. In this simple model, turbulence accelerates NTM recovery via relaxing ∇p and therefore restoring δjBS at the O-point. The key physics of the relationship between the Te peak and NTM stability has potentially far-reaching consequences, such as NTM control via pellet injection in high-β tokamak plasmas.

Interactions between gravity waves and cold air outflows in a stably stratified uniform flow

NASA Technical Reports Server (NTRS)

Lin, Yuh-Lang; Wang, Ting-An; Weglarz, Ronald P.

1993-01-01

Interactions between gravity waves and cold air outflows in a stably stratified uniform flow forced by various combinations of prescribed heat sinks and sources are studied using a hydrostatic two-dimensional nonlinear numerical model. The formation time for the development of a stagnation point or reversed flow at the surface is not always directly proportional to the Froude number when wave reflections exist from upper levels. A density current is able to form by the wave-otuflow interaction, even though the Froude number is greater than a critical value. This is the result of the wave-outflow interaction shifting the flow response to a different location in the characteristic parameter space. A density current is able to form or be destroyed due to the wave-outflow interaction between a traveling gravity wave and cold air outflow. This is proved by performing experiments with a steady-state heat sink and an additional transient heat source. In a quiescent fluid, a region of cold air, convergence, and upward motion is formed after the collision between two outflows produced by two prescribed heat sinks. After the collision, the individual cold air outflows lose their own identity and merge into a single, stationary, cold air outflow region. Gravity waves tend to suppress this new stationary cold air outflow after the collision. The region of upward motion associated with the collision is confined to a very shallow layer. In a moving airstream, a density current produced by a heat sink may be suppressed or enhanced nonlinearly by an adjacent heat sink due to the wave-outflow interaction.

Statistical mechanics model for the emergence of consensus

NASA Astrophysics Data System (ADS)

Raffaelli, Giacomo; Marsili, Matteo

2005-07-01

The statistical properties of pairwise majority voting over S alternatives are analyzed in an infinite random population. We first compute the probability that the majority is transitive (i.e., that if it prefers A to B to C , then it prefers A to C ) and then study the case of an interacting population. This is described by a constrained multicomponent random field Ising model whose ferromagnetic phase describes the emergence of a strong transitive majority. We derive the phase diagram, which is characterized by a tricritical point and show that, contrary to intuition, it may be more likely for an interacting population to reach consensus on a number S of alternatives when S increases. This effect is due to the constraint imposed by transitivity on voting behavior. Indeed if agents are allowed to express nontransitive votes, the agents’ interaction may decrease considerably the probability of a transitive majority.

Single-task fMRI overlap predicts concurrent multitasking interference.

PubMed

Nijboer, Menno; Borst, Jelmer; van Rijn, Hedderik; Taatgen, Niels

2014-10-15

There is no consensus regarding the origin of behavioral interference that occurs during concurrent multitasking. Some evidence points toward a multitasking locus in the brain, while other results imply that interference is the consequence of task interactions in several brain regions. To investigate this issue, we conducted a functional MRI (fMRI) study consisting of three component tasks, which were performed both separately and in combination. The results indicated that no specific multitasking area exists. Instead, different patterns of activation across conditions could be explained by assuming that the interference is a result of task interactions. Additionally, similarity in single-task activation patterns correlated with a decrease in accuracy during dual-task conditions. Taken together, these results support the view that multitasking interference is not due to a bottleneck in a single "multitasking" brain region, but is a result of interactions between concurrently running processes. Copyright © 2014 Elsevier Inc. All rights reserved.

Letter: Entrapment and interaction of an air bubble with an oscillating cavitation bubble

NASA Astrophysics Data System (ADS)

Kannan, Y. S.; Karri, Badarinath; Sahu, Kirti Chandra

2018-04-01

The mechanism of the formation of an air bubble due to an oscillating cavitation bubble in its vicinity is reported from an experimental study using high-speed imaging. The cavitation bubble is created close to the free surface of water using a low-voltage spark circuit comprising two copper electrodes in contact with each other. Before the bubble is created, a third copper wire is positioned in contact with the free surface of water close to the two crossing electrodes. Due to the surface tension at the triple point (wire-water-air) interface, a small dip is observed in the free surface at the point where the wire is immersed. When the cavitation bubble is created, the bubble pushes at the dip while expanding and pulls at it while collapsing. The collapse phase leads to the entrapment of an air bubble at the wire immersion point. During this phase, the air bubble undergoes a "catapult" effect, i.e., it expands to a maximum size and then collapses with a microjet at the free surface. To the best of our knowledge, this mechanism has not been reported so far. A parametric study is also conducted to understand the effects of wire orientation and bubble distance from the free surface.

Wave Phenomena and Beam-Plasma Interactions at the Magnetopause Reconnection Region

NASA Astrophysics Data System (ADS)

Burch, J. L.; Webster, J. M.; Genestreti, K. J.; Torbert, R. B.; Giles, B. L.; Fuselier, S. A.; Dorelli, J. C.; Rager, A. C.; Phan, T. D.; Allen, R. C.; Chen, L.-J.; Wang, S.; Le Contel, O.; Russell, C. T.; Strangeway, R. J.; Ergun, R. E.; Jaynes, A. N.; Lindqvist, P.-A.; Graham, D. B.; Wilder, F. D.; Hwang, K.-J.; Goldstein, J.

2018-02-01

This paper reports on Magnetospheric Multiscale observations of whistler mode chorus and higher-frequency electrostatic waves near and within a reconnection diffusion region on 23 November 2016. The diffusion region is bounded by crescent-shaped electron distributions and associated dissipation just upstream of the X-line and by magnetic field-aligned currents and electric fields leading to dissipation near the electron stagnation point. Measurements were made southward of the X-line as determined by southward directed ion and electron jets. We show that electrostatic wave generation is due to magnetosheath electron beams formed by the electron jets as they interact with a cold background plasma and more energetic population of magnetospheric electrons. On the magnetosphere side of the X-line the electron beams are accompanied by a strong perpendicular electron temperature anisotropy, which is shown to be the source of an observed rising-tone whistler mode chorus event. We show that the apex of the chorus event and the onset of electrostatic waves coincide with the opening of magnetic field lines at the electron stagnation point.

Adsorption of guanidinium collectors on aluminosilicate minerals - a density functional study.

PubMed

Nulakani, Naga Venkateswara Rao; Baskar, Prathab; Patra, Abhay Shankar; Subramanian, Venkatesan

2015-10-07

In this density functional theory based investigation, we have modelled and studied the adsorption behaviour of guanidinium cations and substituted (phenyl, methoxy phenyl, nitro phenyl and di-nitro phenyl) guanidinium cationic collectors on the basal surfaces of kaolinite and goethite. The adsorption behaviour is assessed in three different media, such as gas, explicit water and pH medium, to understand the affinity of GC collectors to the SiO4 tetrahedral and AlO6 octahedral surfaces of kaolinite. The tetrahedral siloxane surface possesses a larger binding affinity to GC collectors than the octahedral sites due to the presence of surface exposed oxygen atoms that are active in the intermolecular interactions. Furthermore, the inductive electronic effects of substituted guanidinium cations also play a key role in the adsorption mechanism. Highly positive cations result in a stronger electrostatic interaction and preferential adsorption with the kaolinite surfaces than low positive cations. Computed interaction energies and electron densities at the bond critical points suggest that the adsorption of guanidinium cations on the surfaces of kaolinite and goethite is due to the formation of intra/inter hydrogen bonding networks. Also, the electrostatic interaction favours the high adsorption ability of GC collectors in the pH medium than gas phase and water medium. The structures and energies of GC collectors pave an intuitive view for future experimental studies on mineral flotation.

Spatial and temporal assessment of cumulative disturbance impacts due to military training, burning, haying, and their interactions on land condition of Fort Riley.

PubMed

Wang, Guangxing; Murphy, Dana; Oller, Adam; Howard, Heidi R; Anderson, Alan B; Rijal, Santosh; Myers, Natalie R; Woodford, Philip

2014-07-01

The effects of military training activities on the land condition of Army installations vary spatially and temporally. Training activities observably degrade land condition while also increasing biodiversity and stabilizing ecosystems. Moreover, other anthropogenic activities regularly occur on military lands such as prescribed burns and agricultural haying-adding to the dynamics of land condition. Thus, spatially and temporally assessing the impacts of military training, prescribed burning, agricultural haying, and their interactions is critical to the management of military lands. In this study, the spatial distributions and patterns of military training-induced disturbance frequency were derived using plot observation and point observation-based method, at Fort Riley, Kansas from 1989 to 2001. Moreover, spatial and variance analysis of cumulative impacts due to military training, burning, haying, and their interactions on the land condition of Fort Riley were conducted. The results showed that: (1) low disturbance intensity dominated the majority of the study area with exception of concentrated training within centralized areas; (2) high and low values of disturbance frequency were spatially clustered and had spatial patterns that differed significantly from a random distribution; and (3) interactions between prescribed burning and agricultural haying were not significant in terms of either soil erosion or disturbance intensity although their means and variances differed significantly between the burned and non-burned areas and between the hayed and non-hayed areas.

A balance for dark matter bound states

NASA Astrophysics Data System (ADS)

Nozzoli, F.

2017-05-01

Massive particles with self interactions of the order of 0.2 barn/GeV are intriguing Dark Matter candidates from an astrophysical point of view. Current and past experiments for direct detection of massive Dark Matter particles are focusing to relatively low cross sections with ordinary matter, however they cannot rule out very large cross sections, σ/M > 0.01 barn/GeV, due to atmosphere and material shielding. Cosmology places a strong indirect limit for the presence of large interactions among Dark Matter and baryons in the Universe, however such a limit cannot rule out the existence of a small sub-dominant component of Dark Matter with non negligible interactions with ordinary matter in our galactic halo. Here, the possibility of the existence of bound states with ordinary matter, for a similar Dark Matter candidate with not negligible interactions, is considered. The existence of bound states, with binding energy larger than ∼ 1 meV, would offer the possibility to test in laboratory capture cross sections of the order of a barn (or larger). The signature of the detection for a mass increasing of cryogenic samples, due to the possible particle accumulation, would allow the investigation of these Dark Matter candidates with mass up to the GUT scale. A proof of concept for a possible detection set-up and the evaluation of some noise sources are described.

Non-covalent interactions between thio-caffeine derivatives and water-soluble porphyrin in ethanol-water environment

NASA Astrophysics Data System (ADS)

Lipke, Agnieszka; Makarska-Bialokoz, Magdalena; Sierakowska, Arleta; Jasiewicz, Beata

2018-03-01

To determine the binding interactions and ability to form the non-covalent systems, the association process between 5,10,15,20-tetrakis[4-(trimethylammonio)phenyl]-21H,23H-porphine tetra-p-tosylate (H2TTMePP) and a series of five structurally diverse thio-caffeine analogues has been studied in ethanol and ethanol-water solutions, analyzing its absorption and steady-state fluorescence spectra. The porphyrin fluorescence lifetimes in the systems studied were established as well. During the titration with thio-caffeine compounds the slight bathochromic effect and considerable hypochromicity of the porphyrin Soret band maximum can be noted. The fluorescence quenching effect observed for interactions in H2TTMePP - thio-caffeine derivative systems, as well as the order of binding and fluorescence quenching constants (of 105-103 mol- 1) suggest the existence of the mechanism of static quenching due to the formation of non-covalent and non-fluorescent stacking complexes. In all the systems studied the phenomenon of the fractional accessibility of the fluorophore for the quencher was observed as well. Additionally, the specific binding interactions, due to the changes in reaction environment polarity, can be observed. It was found that thio-caffeine compounds can quench the porphyrin fluorescence according to the structure of thio-substituent in caffeine molecule. The obtained results can be potentially useful from scientific, therapeutic or environmental points of view.

Functional Logistic Regression Approach to Detecting Gene by Longitudinal Environmental Exposure Interaction in a Case-Control Study

PubMed Central

Wei, Peng; Tang, Hongwei; Li, Donghui

2014-01-01

Most complex human diseases are likely the consequence of the joint actions of genetic and environmental factors. Identification of gene-environment (GxE) interactions not only contributes to a better understanding of the disease mechanisms, but also improves disease risk prediction and targeted intervention. In contrast to the large number of genetic susceptibility loci discovered by genome-wide association studies, there have been very few successes in identifying GxE interactions which may be partly due to limited statistical power and inaccurately measured exposures. While existing statistical methods only consider interactions between genes and static environmental exposures, many environmental/lifestyle factors, such as air pollution and diet, change over time, and cannot be accurately captured at one measurement time point or by simply categorizing into static exposure categories. There is a dearth of statistical methods for detecting gene by time-varying environmental exposure interactions. Here we propose a powerful functional logistic regression (FLR) approach to model the time-varying effect of longitudinal environmental exposure and its interaction with genetic factors on disease risk. Capitalizing on the powerful functional data analysis framework, our proposed FLR model is capable of accommodating longitudinal exposures measured at irregular time points and contaminated by measurement errors, commonly encountered in observational studies. We use extensive simulations to show that the proposed method can control the Type I error and is more powerful than alternative ad hoc methods. We demonstrate the utility of this new method using data from a case-control study of pancreatic cancer to identify the windows of vulnerability of lifetime body mass index on the risk of pancreatic cancer as well as genes which may modify this association. PMID:25219575

Functional logistic regression approach to detecting gene by longitudinal environmental exposure interaction in a case-control study.

PubMed

Wei, Peng; Tang, Hongwei; Li, Donghui

2014-11-01

Most complex human diseases are likely the consequence of the joint actions of genetic and environmental factors. Identification of gene-environment (G × E) interactions not only contributes to a better understanding of the disease mechanisms, but also improves disease risk prediction and targeted intervention. In contrast to the large number of genetic susceptibility loci discovered by genome-wide association studies, there have been very few successes in identifying G × E interactions, which may be partly due to limited statistical power and inaccurately measured exposures. Although existing statistical methods only consider interactions between genes and static environmental exposures, many environmental/lifestyle factors, such as air pollution and diet, change over time, and cannot be accurately captured at one measurement time point or by simply categorizing into static exposure categories. There is a dearth of statistical methods for detecting gene by time-varying environmental exposure interactions. Here, we propose a powerful functional logistic regression (FLR) approach to model the time-varying effect of longitudinal environmental exposure and its interaction with genetic factors on disease risk. Capitalizing on the powerful functional data analysis framework, our proposed FLR model is capable of accommodating longitudinal exposures measured at irregular time points and contaminated by measurement errors, commonly encountered in observational studies. We use extensive simulations to show that the proposed method can control the Type I error and is more powerful than alternative ad hoc methods. We demonstrate the utility of this new method using data from a case-control study of pancreatic cancer to identify the windows of vulnerability of lifetime body mass index on the risk of pancreatic cancer as well as genes that may modify this association. © 2014 Wiley Periodicals, Inc.

Strangeness S =-1 hyperon-nucleon interactions: Chiral effective field theory versus lattice QCD

NASA Astrophysics Data System (ADS)

Song, Jing; Li, Kai-Wen; Geng, Li-Sheng

2018-06-01

Hyperon-nucleon interactions serve as basic inputs to studies of hypernuclear physics and dense (neutron) stars. Unfortunately, a precise understanding of these important quantities has lagged far behind that of the nucleon-nucleon interaction due to lack of high-precision experimental data. Historically, hyperon-nucleon interactions are either formulated in quark models or meson exchange models. In recent years, lattice QCD simulations and chiral effective field theory approaches start to offer new insights from first principles. In the present work, we contrast the state-of-the-art lattice QCD simulations with the latest chiral hyperon-nucleon forces and show that the leading order relativistic chiral results can already describe the lattice QCD data reasonably well. Given the fact that the lattice QCD simulations are performed with pion masses ranging from the (almost) physical point to 700 MeV, such studies provide a useful check on both the chiral effective field theory approaches as well as lattice QCD simulations. Nevertheless more precise lattice QCD simulations are eagerly needed to refine our understanding of hyperon-nucleon interactions.

Effects of two successive parity-invariant point interactions on one-dimensional quantum transmission: Resonance conditions for the parameter space

DOE Office of Scientific and Technical Information (OSTI.GOV)

Konno, Kohkichi, E-mail: kohkichi@tomakomai-ct.ac.jp; Nagasawa, Tomoaki, E-mail: nagasawa@tomakomai-ct.ac.jp; Takahashi, Rohta, E-mail: takahashi@tomakomai-ct.ac.jp

We consider the scattering of a quantum particle by two independent, successive parity-invariant point interactions in one dimension. The parameter space for the two point interactions is given by the direct product of two tori, which is described by four parameters. By investigating the effects of the two point interactions on the transmission probability of plane wave, we obtain the conditions for the parameter space under which perfect resonant transmission occur. The resonance conditions are found to be described by symmetric and anti-symmetric relations between the parameters.

Cosmic-Ray Transport in Heliospheric Magnetic Structures. II. Modeling Particle Transport through Corotating Interaction Regions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kopp, Andreas; Wiengarten, Tobias; Fichtner, Horst

The transport of cosmic rays (CRs) in the heliosphere is determined by the properties of the solar wind plasma. The heliospheric plasma environment has been probed by spacecraft for decades and provides a unique opportunity for testing transport theories. Of particular interest for the three-dimensional (3D) heliospheric CR transport are structures such as corotating interaction regions (CIRs), which, due to the enhancement of the magnetic field strength and magnetic fluctuations within and due to the associated shocks as well as stream interfaces, do influence the CR diffusion and drift. In a three-fold series of papers, we investigate these effects bymore » modeling inner-heliospheric solar wind conditions with the numerical magnetohydrodynamic (MHD) framework Cronos (Wiengarten et al., referred as Paper I), and the results serve as input to a transport code employing a stochastic differential equation approach (this paper). While, in Paper I, we presented results from 3D simulations with Cronos, the MHD output is now taken as an input to the CR transport modeling. We discuss the diffusion and drift behavior of Galactic cosmic rays using the example of different theories, and study the effects of CIRs on these transport processes. In particular, we point out the wide range of possible particle fluxes at a given point in space resulting from these different theories. The restriction of this variety by fitting the numerical results to spacecraft data will be the subject of the third paper of this series.« less

Study of the dislocation contribution to the internal friction background of gold

NASA Astrophysics Data System (ADS)

Baur, J.; Benoit, W.

1987-04-01

The dislocation contribution to the internal friction (IF) background is studied in annealed gold samples containing various dilute concentrations of platinum impurities. The measurements are performed in the kHz frequency range in order to determine the loss mechanism responsible for the high IF background observed at these low frequencies. To this end, the IF background was systematically measured as a function of frequency, vibration amplitude, temperature, and impurity concentration. The experimental results show that the high dislocation contribution observed in annealed samples is strain-amplitude independent for amplitudes in the range 10-7 to 2×10-6, but rapidly decreases for amplitudes smaller than 10-7. In particular, the dislocation contribution tends to zero when the strain amplitude tends to zero. Furthermore, this contribution is frequency independent. These observations demonstrate that the dislocation contribution cannot be explained by relaxations. In particular, this contribution cannot be attributed to a viscous damping of the dislocation motion. On the contrary, the experiments show that the IF background due to dislocations must be explained by hysteretic and athermal motions of dislocations interacting with point defects. However, these hysteretic motions are not due to breakaway of dislocations from pinning points distributed along their length. The experimental results can be explained by the presence of point defects close to the dislocations, but not on them. The mechanical energy loss is attributed to hysteretic motions of dislocations between potential minima created by point defects.

Using Field-Particle Correlations to Diagnose the Collisionless Damping of Plasma Turbulence

NASA Astrophysics Data System (ADS)

Howes, Gregory; Klein, Kristropher

2016-10-01

Plasma turbulence occurs ubiquitously throughout the heliosphere, yet our understanding of how turbulence governs energy transport and plasma heating remains incomplete, constituting a grand challenge problem in heliophysics. In weakly collisional heliospheric plasmas, such as the solar corona and solar wind, damping of the turbulent fluctuations occurs due to collisionless interactions between the electromagnetic fields and the individual plasma particles. A particular challenge in diagnosing this energy transfer is that spacecraft measurements are typically limited to a single point in space. Here we present an innovative field-particle correlation technique that can be used with single-point measurements to estimate the energization of the plasma particles due to the damping of the electromagnetic fields, providing vital new information about this how energy transfer is distributed as a function of particle velocity. This technique has the promise to transform our ability to diagnose the kinetic plasma physical mechanisms responsible for not only the damping of turbulence, but also the energy conversion in both collisionless magnetic reconnection and particle acceleration. The work has been supported by NSF CAREER Award AGS-1054061, NSF AGS-1331355, and DOE DE-SC0014599.

Behaviors of transmutation elements Re and Os and their effects on energetics and clustering of vacancy and self-interstitial atoms in W

NASA Astrophysics Data System (ADS)

Li, Yu-Hao; Zhou, Hong-Bo; Jin, Shuo; Zhang, Ying; Deng, Huiqiu; Lu, Guang-Hong

2017-04-01

We investigate the behaviors of rhenium (Re) and osmium (Os) and their interactions with point defects in tungsten (W) using a first-principles method. We show that Re atoms are energetically favorable to disperse separately in bulk W due to the Re-Re repulsive interaction. Despite the attractive interaction between Os atoms, there is still a large activation energy barrier of 1.10 eV at the critical number of 10 for the formation of Os clusters in bulk W based on the results of the total nucleation free energy change. Interestingly, the presence of vacancy can significantly reduce the total nucleation free energy change of Re/Os clusters, suggesting that vacancy can facilitate the nucleation of Re/Os in W. Re/Os in turn has an effect on the stability of the vacancy clusters (V n ) in W, especially for small vacancy clusters. A single Re/Os atom can raise the total binding energies of V2 and V3 obviously, thus enhancing their formation. Further, we demonstrate that there is a strong attractive interaction between Re/Os and self-interstitial atoms (SIAs). Re/Os could increase the diffusion barrier of SIAs and decrease their rotation barrier, while the interstitial-mediated path may be the optimal diffusion path of Re/Os in W. Consequently, the synergistic effect between Re/Os and point defects plays a key role in Re/Os precipitation and the evolution of defects in irradiated W.

Shear modulus of neutron star crust

NASA Astrophysics Data System (ADS)

Baiko, D. A.

2011-09-01

The shear modulus of solid neutron star crust is calculated by the thermodynamic perturbation theory, taking into account ion motion. At a given density, the crust is modelled as a body-centred cubic Coulomb crystal of fully ionized atomic nuclei of one type with a uniform charge-compensating electron background. Classic and quantum regimes of ion motion are considered. The calculations in the classic temperature range agree well with previous Monte Carlo simulations. At these temperatures, the shear modulus is given by the sum of a positive contribution due to the static lattice and a negative ∝ T contribution due to the ion motion. The quantum calculations are performed for the first time. The main result is that at low temperatures the contribution to the shear modulus due to the ion motion saturates at a constant value, associated with zero-point ion vibrations. Such behaviour is qualitatively similar to the zero-point ion motion contribution to the crystal energy. The quantum effects may be important for lighter elements at higher densities, where the ion plasma temperature is not entirely negligible compared to the typical Coulomb ion interaction energy. The results of numerical calculations are approximated by convenient fitting formulae. They should be used for precise neutron star oscillation modelling, a rapidly developing branch of stellar seismology.

Predicting the points of interaction of small molecules in the NF-κB pathway

PubMed Central

2011-01-01

Background The similarity property principle has been used extensively in drug discovery to identify small compounds that interact with specific drug targets. Here we show it can be applied to identify the interactions of small molecules within the NF-κB signalling pathway. Results Clusters that contain compounds with a predominant interaction within the pathway were created, which were then used to predict the interaction of compounds not included in the clustering analysis. Conclusions The technique successfully predicted the points of interactions of compounds that are known to interact with the NF-κB pathway. The method was also shown to be successful when compounds for which the interaction points were unknown were included in the clustering analysis. PMID:21342508

plas.io: Open Source, Browser-based WebGL Point Cloud Visualization

NASA Astrophysics Data System (ADS)

Butler, H.; Finnegan, D. C.; Gadomski, P. J.; Verma, U. K.

2014-12-01

Point cloud data, in the form of Light Detection and Ranging (LiDAR), RADAR, or semi-global matching (SGM) image processing, are rapidly becoming a foundational data type to quantify and characterize geospatial processes. Visualization of these data, due to overall volume and irregular arrangement, is often difficult. Technological advancement in web browsers, in the form of WebGL and HTML5, have made interactivity and visualization capabilities ubiquitously available which once only existed in desktop software. plas.io is an open source JavaScript application that provides point cloud visualization, exploitation, and compression features in a web-browser platform, reducing the reliance for client-based desktop applications. The wide reach of WebGL and browser-based technologies mean plas.io's capabilities can be delivered to a diverse list of devices -- from phones and tablets to high-end workstations -- with very little custom software development. These properties make plas.io an ideal open platform for researchers and software developers to communicate visualizations of complex and rich point cloud data to devices to which everyone has easy access.

On Mach's principle

NASA Astrophysics Data System (ADS)

Assis, A. K. T.

1989-08-01

We propose the postulate that the resultant force acting on any body is zero. With this postulate and with a Weber force law for gravitation, we obtain equations of motion and conclude that all inertial forces are due to gravitational interaction with other bodies in the universe, as suggested by Mach. We then obtain the same value for the advance of the perhelion of the planets as is given by general relativity. All this is accomplished in a strictly relational theory. Finally, we relate these points to topical questions of electrodynamics raised by the experimental studies of Graneau and Pappas.

Evolution of the Janus-Epimetheus coorbital resonance due to torques from Saturn's rings

NASA Technical Reports Server (NTRS)

Lissauer, J. J.; Goldreich, P.; Tremaine, S.

1985-01-01

The effects of the gravitational interactions between Saturn's rings and the coorbital satellites, Janus and Epimetheus, on the 1:1 horseshoe resonance between these moons is examined. It is shown that the 7:6 resonance of these moons, which presumably maintains the sharp outer edge of the A ring, leads to a rapid tightening of the coorbital lock. The results lead to the prediction that the orbital configuration might evolve from the current horseshoe-type lock to one of tadpole orbits around a single Lagrangian point in about 20 myr.

Solar atmospheric neutrinos: A new neutrino floor for dark matter searches

NASA Astrophysics Data System (ADS)

Ng, Kenny C. Y.; Beacom, John F.; Peter, Annika H. G.; Rott, Carsten

2017-11-01

As is well known, dark matter direct detection experiments will ultimately be limited by a "neutrino floor," due to the scattering of nuclei by MeV neutrinos from, e.g., nuclear fusion in the Sun. Here we point out the existence of a new neutrino floor that will similarly limit indirect detection with the Sun, due to high-energy neutrinos from cosmic-ray interactions with the solar atmosphere. We have two key findings. First, solar atmospheric neutrinos ≲1 TeV cause a sensitivity floor for standard weakly interacting massive particles (WIMP) scenarios, for which higher-energy neutrinos are absorbed in the Sun. This floor will be reached once the present sensitivity is improved by just 1 order of magnitude. Second, for neutrinos ≳1 TeV , which can be isolated by muon energy loss rate, solar atmospheric neutrinos should soon be detectable in IceCube. Discovery will help probe the complicated effects of solar magnetic fields on cosmic rays. These events will be backgrounds to WIMP scenarios with long-lived mediators, for which higher-energy neutrinos can escape from the Sun.

An uracil-linked hydroxyflavone probe for the recognition of ATP

PubMed Central

Bojtár, Márton; Janzsó-Berend, Péter Zoltán; Mester, Dávid; Hessz, Dóra; Kállay, Mihály; Kubinyi, Miklós

2018-01-01

Background: Nucleotides are essential molecules in living systems due to their paramount importance in various physiological processes. In the past years, numerous attempts were made to selectively recognize and detect these analytes, especially ATP using small-molecule fluorescent chemosensors. Despite the various solutions, the selective detection of ATP is still challenging due to the structural similarity of various nucleotides. In this paper, we report the conjugation of a uracil nucleobase to the known 4’-dimethylamino-hydroxyflavone fluorophore. Results: The complexation of this scaffold with ATP is already known. The complex is held together by stacking and electrostatic interactions. To achieve multi-point recognition, we designed the uracil-appended version of this probe to include complementary base-pairing interactions. The theoretical calculations revealed the availability of multiple complex structures. The synthesis was performed using click chemistry and the nucleotide recognition properties of the probe were evaluated using fluorescence spectroscopy. Conclusions: The first, uracil-containing fluorescent ATP probe based on a hydroxyflavone fluorophore was synthesized and evaluated. A selective complexation with ATP was observed and a ratiometric response in the excitation spectrum. PMID:29719572

Lifshitz phase: the microscopic structure of aqueous and ethanol mixtures of 1,n-diols.

PubMed

Požar, Martina; Perera, Aurélien

2017-06-14

We study binary mixtures of ethylene glycol and 1,3-propandiol with water or ethanol using computer simulations. Despite strong hydrogen bonding tendencies between all these molecules, we find that these mixtures are surprisingly homogeneous, in contrast to the strong micro-heterogeneity found in aqueous ethanol mixtures. The aqueous diol mixtures are found to be close to ideal mixtures, with near-ideal Kirkwood-Buff integrals. Ethanol-diol mixtures show weak non-ideality. The origin of this unexpected randomness is due to the fact that the two hydrogen bonding hydroxyl groups of the 1,n-diol are bound by the neutral alkyl bond, which prevents the micro-segregation of the different types of hydroxyl groups. These findings suggest that random disorder can arise in the presence of strong interactions - in contrast to the usual picture of random disorder due to weak interactions between the components. They point to the important role of molecular topology in tuning concentration fluctuations in complex liquids. We propose and justify herein the name of Lifshitz phases to designate such types of disordered systems.

Controlling the electronic structure of graphene using surface-adsorbate interactions

DOE PAGES

Matyba, Piotr; Carr, Adra; Chen, Cong; ...

2015-07-15

Hybridization of atomic orbitals in graphene on Ni(111) opens up a large energy gap of ≈2.8eV between nonhybridized states at the K point. Here we use alkali-metal adsorbate to reduce and even eliminate this energy gap, and also identify a new mechanism responsible for decoupling graphene from the Ni substrate without intercalation of atomic species underneath. Using angle-resolved photoemission spectroscopy and density functional theory calculations, we show that the energy gap is reduced to 1.3 eV due to moderate decoupling after adsorption of Na on top of graphene. Calculations confirm that after adsorption of Na, graphene bonding to Ni ismore » much weaker due to a reduced overlap of atomic orbitals, which results from n doping of graphene. Finally, we show that the energy gap is eliminated by strong decoupling resulting in a quasifreestanding graphene, which is achieved by subsequent intercalation of the Na underneath graphene. Furthermore, the ability to partially decouple graphene from a Ni substrate via n doping, with or without intercalation, suggests that the graphene-to-substrate interaction could be controlled dynamically.« less

Osmotic effects of polyethylene glycol.

PubMed

Schiller, L R; Emmett, M; Santa Ana, C A; Fordtran, J S

1988-04-01

Polyethylene glycol (PEG) has been used to increase the osmotic pressure of fluids used to cleanse the gastrointestinal tract. However, little is known about its osmotic activity. To investigate this activity systematically, solutions of PEG of differing molecular weights were made and subjected to measurement of osmolality by both freezing point depression and vapor pressure osmometry. Measured osmolality was increasingly greater than predicted from average molecular weight as PEG concentration increased. Measurement of sodium activity in NaCl/PEG solutions by means of an ion-selective electrode suggested that the higher than expected osmolality could be due in part to interactions that, in effect, sequestered water from the solution. Osmolality was consistently greater by freezing point osmometry than by vapor pressure osmometry. To determine which osmometry method reflected biologically relevant osmolality, normal subjects underwent steady-state total gut perfusion with an electrolyte solution containing 105 g/L of PEG 3350. This produced rectal effluent that was hypertonic by freezing point osmometry but isotonic by vapor pressure osmometry. Assuming that luminal fluid reaches osmotic equilibrium with plasma during total gut perfusion, this result suggests that the vapor pressure osmometer accurately reflects the biologically relevant osmolality of intestinal contents. We conclude that PEG exerts more of an osmotic effect than would be predicted from its molecular weight. This phenomenon may reflect interactions between PEG and water molecules that alter the physical chemistry of the solution and sequester water from the solution.

Multiple tipping points and optimal repairing in interacting networks

PubMed Central

Majdandzic, Antonio; Braunstein, Lidia A.; Curme, Chester; Vodenska, Irena; Levy-Carciente, Sary; Eugene Stanley, H.; Havlin, Shlomo

2016-01-01

Systems composed of many interacting dynamical networks—such as the human body with its biological networks or the global economic network consisting of regional clusters—often exhibit complicated collective dynamics. Three fundamental processes that are typically present are failure, damage spread and recovery. Here we develop a model for such systems and find a very rich phase diagram that becomes increasingly more complex as the number of interacting networks increases. In the simplest example of two interacting networks we find two critical points, four triple points, ten allowed transitions and two ‘forbidden' transitions, as well as complex hysteresis loops. Remarkably, we find that triple points play the dominant role in constructing the optimal repairing strategy in damaged interacting systems. To test our model, we analyse an example of real interacting financial networks and find evidence of rapid dynamical transitions between well-defined states, in agreement with the predictions of our model. PMID:26926803

Enhancement of B(E2) Collectivity in the sdg-Interacting Boson Model

NASA Astrophysics Data System (ADS)

Long, GuiLu; Ji, HuaYing; Zhu, ShengJiang

1999-12-01

It is pointed out that the difficulty in boson models in explaining the large B(E2) experimental data is not due to the lack of collectivity in boson model wavefunction. This long standing problem of reduction in collectivity of wavefunction in boson models can be solved by choosing an appropriate E2 transition operator in the SU(3) limit of the sdg-interacting boson model. The ratio B(E2, L + 2 → L) / B(E2, 2 → 0) can be almost any large number. The project supported by The Science Fund of China Nuclear Industry under grant No. J95AY5021, National Natural Science Foundation of China under grant No. 19775026, Excellent Young University Teachers Fund of National Education Committee of China

The Fusarium Graminearum Genome Reveals a Link Between Localized Polymorphism and Pathogen Specialization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cuomo, Christina A.; Guldener, Ulrich; Xu, Jin Rong

2007-09-07

We sequenced and annotated the genome of the filamentous fungus Fusarium graminearum, a major pathogen of cultivated cereals. Very few repetitive sequences were detected, and the process of repeat-induced point mutation, in which duplicated sequences are subject to extensive mutation, may partially account for the reduced repeat content and apparent low number of paralogous (ancestrally duplicated) genes. A second strain of F. graminearum contained more than 10,000 single-nucleotide polymorphisms, which were frequently located near telomeres and within other discrete chromosomal segments. Many highly polymorphic regions contained sets of genes implicated in plant-fungus interactions and were unusually divergent, with higher ratesmore » of recombination. These regions of genome innovation may result from selection due to interactions of F. graminearum with its plant hosts.« less

Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.

PubMed

Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi

2016-03-03

Hexaarylbenzenes (HABs) have greatly attracted much attention due to their unique propeller-shaped structure and potential application in materials science, such as liquid crystals, molecular capsules/rotors, redox materials, nonlinear optical materials, as well as molecular wires. Less attention has however been paid to their propeller chirality. By introducing small point-chiral group(s) at the periphery of HABs, propeller chirality was effectively induced, provoking strong Cotton effects in the circular dichroism (CD) spectrum. Temperature and solvent polarity manipulate the dynamics of propeller inversion in solution. As such, whizzing toroids become more substantial in polar solvents and at an elevated temperature, where radial aromatic rings (propeller blades) prefer orthogonal alignment against the central benzene ring (C6 core), maximizing toroidal interactions.

Evolution of cooperation and skew under imperfect information

PubMed Central

Akçay, Erol; Meirowitz, Adam; Ramsay, Kristopher W.; Levin, Simon A.

2012-01-01

The evolution of cooperation in nature and human societies depends crucially on how the benefits from cooperation are divided and whether individuals have complete information about their payoffs. We tackle these questions by adopting a methodology from economics called mechanism design. Focusing on reproductive skew as a case study, we show that full cooperation may not be achievable due to private information over individuals’ outside options, regardless of the details of the specific biological or social interaction. Further, we consider how the structure of the interaction can evolve to promote the maximum amount of cooperation in the face of the informational constraints. Our results point to a distinct avenue for investigating how cooperation can evolve when the division of benefits is flexible and individuals have private information. PMID:22908269

Exploration of quantum phases transition in the XXZ model with Dzyaloshinskii-Moriya interaction using trance distance discord

NASA Astrophysics Data System (ADS)

Zhang, Ren-jie; Xu, Shuai; Shi, Jia-dong; Ma, Wen-chao; Ye, Liu

2015-11-01

In the paper, we researched the quantum phase transition (QPT) in the anisotropic spin XXZ model by exploiting the quantum renormalization group (QRG) method. The innovation point is that we adopt a new approach called trace distance discord to indicate the quantum correlation of the system. QPT after several iterations of renormalization in current system has been observed. Consequently, it opened the possibility of investigation of QPR in the geometric discord territory. While the anisotropy suppresses the correlation due to favoring of the alignment of spins, the DM interaction restores the spoiled correlation via creation of the quantum fluctuations. We also apply quantum renormalization group method to probe the thermodynamic limit of the model and emerging of nonanalytic behavior of the correlation.

Laser-plasma interactions and implosion symmetry in rugby hohlraums

NASA Astrophysics Data System (ADS)

Michel, Pierre; Berger, R. L.; Lasinski, B. F.; Ross, J. S.; Divol, L.; Williams, E. A.; Meeker, D.; Langdon, B. A.; Park, H.; Amendt, P.

2011-10-01

Cross-beam energy transfer is studied in the context of ``rugby''-hohlraum experiments at the Omega laser facility in FY11, in preparation for future NIF experiments. The transfer acts in opposite direction between rugby and cylinder hohlraums due to the different beam pointing geometries and flow patterns. Its interaction with backscatter is also different as both happen in similar regions inside rugby hohlraums. We will analyze the effects of non-linearities and temporal beam smoothing on energy transfer using the code pF3d. Calculations will be compared to experiments at Omega; analysis of future rugby hohlraum experiments on NIF will also be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Multivariate spatiotemporal visualizations for mobile devices in Flyover Country

NASA Astrophysics Data System (ADS)

Loeffler, S.; Thorn, R.; Myrbo, A.; Roth, R.; Goring, S. J.; Williams, J.

2017-12-01

Visualizing and interacting with complex multivariate and spatiotemporal datasets on mobile devices is challenging due to their smaller screens, reduced processing power, and limited data connectivity. Pollen data require visualizing pollen assemblages spatially, temporally, and across multiple taxa to understand plant community dynamics through time. Drawing from cartography, information visualization, and paleoecology, we have created new mobile-first visualization techniques that represent multiple taxa across many sites and enable user interaction. Using pollen datasets from the Neotoma Paleoecology Database as a case study, the visualization techniques allow ecological patterns and trends to be quickly understood on a mobile device compared to traditional pollen diagrams and maps. This flexible visualization system can be used for datasets beyond pollen, with the only requirements being point-based localities and multiple variables changing through time or depth.

Dendritic Cells: A Double-Edged Sword in Immune Responses during Chagas Disease

PubMed Central

Gil-Jaramillo, Natalia; Motta, Flávia N.; Favali, Cecília B. F.; Bastos, Izabela M. D.; Santana, Jaime M.

2016-01-01

Dendritic cells (DCs) are the most important member of the antigen presenting cells group due to their ability to recognize antigen at the infection site and their high specialized antigen internalization capacity. These cells have central role in connecting the innate and adaptive immune responses against Trypanosoma cruzi, the causative agent of Chagas disease. These first line defense cells modulate host immune response depending on type, maturation level, cytokine milieu and DC receptor involved in the interactions with T. cruzi, influencing the development of the disease clinic forms. Here, we present a review of DCs–T. cruzi interactions both in human and murine models, pointing out the parasite ability to manipulate DCs activity for the purpose of evading innate immune response and assuring its own survival and persistence. PMID:27471496

Investigations of Multiple Swirl-Venturi Fuel Injector Concepts: Recent Experimental Optical Measurement Results for 1-Point, 7-Point, and 9-Point Configurations

NASA Technical Reports Server (NTRS)

Hicks, Yolanda R.; Anderson, Robert C.; Tedder, Sarah A.; Tacina, Kathleen M.

2015-01-01

This paper presents results obtained during testing in optically-accessible, JP8-fueled, flame tube combustors using swirl-venturi lean direct injection (LDI) research hardware. The baseline LDI geometry has 9 fuel/air mixers arranged in a 3 x 3 array within a square chamber. 2-D results from this 9-element array are compared to results obtained in a cylindrical combustor using a 7-element array and a single element. In each case, the baseline element size remains the same. The effect of air swirler angle, and element arrangement on the presence of a central recirculation zone are presented. Only the highest swirl number air swirler produced a central recirculation zone for the single element swirl-venturi LDI and the 9-element LDI, but that same swirler did not produce a central recirculation zone for the 7-element LDI, possibly because of strong interactions due to element spacing within the array.

Measurement of flow separation in a human vocal folds model

NASA Astrophysics Data System (ADS)

Šidlof, Petr; Doaré, Olivier; Cadot, Olivier; Chaigne, Antoine

2011-07-01

The paper provides experimental data on flow separation from a model of the human vocal folds. Data were measured on a four times scaled physical model, where one vocal fold was fixed and the other oscillated due to fluid-structure interaction. The vocal folds were fabricated from silicone rubber and placed on elastic support in the wall of a transparent wind tunnel. A PIV system was used to visualize the flow fields immediately downstream of the glottis and to measure the velocity fields. From the visualizations, the position of the flow separation point was evaluated using a semiautomatic procedure and plotted for different airflow velocities. The separation point position was quantified relative to the orifice width separately for the left and right vocal folds to account for flow asymmetry. The results indicate that the flow separation point remains close to the narrowest cross-section during most of the vocal fold vibration cycle, but moves significantly further downstream shortly prior to and after glottal closure.

Development of a cross-section based stream package for MODFLOW

NASA Astrophysics Data System (ADS)

Ou, G.; Chen, X.; Irmak, A.

2012-12-01

Accurate simulation of stream-aquifer interactions for wide rivers using the streamflow routing package in MODFLOW is very challenging. To better represent a wide river spanning over multiple model grid cells, a Cross-Section based streamflow Routing (CSR) package is developed and incorporated into MODFLOW to simulate the interaction between streams and aquifers. In the CSR package, a stream segment is represented as a four-point polygon instead of a polyline which is traditionally used in streamflow routing simulation. Each stream segment is composed of upstream and downstream cross-sections. A cross-section consists of a number of streambed points possessing coordinates, streambed thicknesses and streambed hydraulic conductivities to describe the streambed geometry and hydraulic properties. The left and right end points are used to determine the locations of the stream segments. According to the cross-section geometry and hydraulic properties, CSR calculates the new stream stage at the cross-section using the Brent's method to solve the Manning's Equation. A module is developed to automatically compute the area of the stream segment polygon on each intersected MODFLOW grid cell as the upstream and downstream stages change. The stream stage and streambed hydraulic properties of model grids are interpolated based on the streambed points. Streambed leakage is computed as a function of streambed conductance and difference between the groundwater level and stream stage. The Muskingum-Cunge flow routing scheme with variable parameters is used to simulate the streamflow as the groundwater (discharge or recharge) contributes as lateral flows. An example is used to illustrate the capabilities of the CSR package. The result shows that the CSR is applicable to describing the spatial and temporal variation in the interaction between streams and aquifers. The input data become simple due to that the internal program automatically interpolates the cross-section data to each model grid cell.

Numerical analysis on interactions of vortex, shock wave, and exothermal reaction in a supersonic planar shear layer laden with droplets

NASA Astrophysics Data System (ADS)

Ren, Zhaoxin; Wang, Bing; Zheng, Longxi

2018-03-01

The analysis on the interactions of a large-scale shearing vortex, an incident oblique shock wave, and a chemical reaction in a planar shear layer is performed by numerical simulations. The reacting flows are obtained by directly solving the multi-species Navier-Stokes equations in the Eulerian frame, and the motions of individual point-mass fuel droplets are tracked in the Lagrangian frame considering the two-way coupling. The influences of shock strength and spray equivalence ratio on the shock-vortex interaction and the induced combustion are further studied. Under the present conditions, the incident shock is distorted by the vortex evolution to form the complicated waves including an incident shock wave, a multi-refracted wave, a reflected wave, and a transmitted wave. The local pressure and temperature are elevated by the shock impingement on the shearing vortex, which carries flammable mixtures. The chemical reaction is mostly accelerated by the refracted shock across the vortex. Two different exothermal reaction modes could be distinguished during the shock-vortex interaction as a thermal mode, due to the additional energy from the incident shock, and a local quasi detonation mode, due to the coupling of the refracted wave with reaction. The former mode detaches the flame and shock wave, whereas the latter mode tends to occur when the incident shock strength is higher and local equivalence ratio is higher approaching to the stoichiometric value. The numerical results illustrate that those two modes by shock-vortex interaction depend on the structure of the post-shock flame kernel, which may be located either in the vortex-braids of post-shock flows or in the shock-vortex interaction regime.

Passive smoking increased risk of gestational diabetes mellitus independently and synergistically with prepregnancy obesity in Tianjin, China.

PubMed

Leng, Junhong; Wang, Peng; Shao, Ping; Zhang, Cuiping; Li, Weiqin; Li, Nan; Wang, Leishen; Nan, Hairong; Yu, Zhijie; Hu, Gang; Chan, Juliana C N; Yang, Xilin

2017-03-01

Passive smoking increased type 2 diabetes mellitus risk, but it is uncertain whether it also increased gestational diabetes mellitus (GDM) risk. We aimed to examine the association of passive smoking during pregnancy and its interaction with maternal obesity for GDM. From 2010 to 2012, 12 786 Chinese women underwent a 50-g 1-hour glucose challenge test at 24 to 28 weeks of gestation and further underwent a 75-g 2-hour oral glucose tolerance test if the glucose challenge test result was ≥7.8 mmol/L. GDM was defined by the International Association of Diabetes and Pregnancy Study Group's cut points. Self-reported passive smoking during pregnancy was collected by a questionnaire. Logistic regression was used to obtain odds ratios (ORs) and 95% confidence intervals (CIs). Additive interaction between maternal obesity and passive smoking was estimated using relative excess risk due to interaction (RERI), attributable proportion due to interaction (AP), and synergy index (S). Significant RERI > 0, AP > 0, or S > 1 indicated additive interaction. A total of 8331 women (65.2%) were exposed to passive smoking during pregnancy. More women exposed to passive smoking developed GDM than nonexposed women (7.8% versus 6.3%, P = 0.002) with an adjusted OR of 1.29 (95%CI, 1.11 to 1.50). Compared with nonobesity and nonpassive smoking, prepregnancy obesity and passive smoking was associated with GDM risk with an adjusted OR of 3.09 (95%CI, 2.38-4.02) with significant additive interaction (P < .05 for RERI and AP). Passive smoking during pregnancy increased GDM risk in Chinese women independently and synergistically with prepregnancy obesity. Copyright © 2016 John Wiley & Sons, Ltd.

The effects of particle shape, size, and interaction on colloidal glasses and gels

NASA Astrophysics Data System (ADS)

Kramb, Ryan C.

Using multiple step seeded emulsion polymerization reactions, colloid particles of tunable shape are synthesized from polystyrene. In all, four particle shapes are studied referred to as spheres (S), heteronuclear dicolloids (hDC), symmetric homonuclear dicolloids (sDC), and tricolloids (TC). Two size ranges of particles are studied with approximate diameters in the range of 200-300nm and 1.1-1.3mum. The solvent ionic strength is varied from 10 -3M to 1M resulting in particle interaction potentials that range from repulsive to attractive. The effect of anisotropic shape is found to increase the glass transition volume fraction (φg) in good agreement with activated naive Mode Coupling Theory (nMCT) calculations. Differences in φg and the linear elastic modulus (G0') due to particle shape can be understood in terms of the Random Close Packed volume fraction (φRCP ) for each shape; φRCP- φg is a constant. In addition, a reentrant phase diagram is found for S and sDC particles with a maximum in the fluid state volume fraction found at weakly attractive interaction potential, in agreement well with theoretical calculations. Nonlinear rheology and yielding behavior of repulsive and attractive spheres and anisotropic particles are examined and understood in terms of barriers constraining motion. The barriers are due to interparticle bonds or cages constraining translational or rotational motion. Yield stress has similar volume fraction dependence as G 0' and a similar framework is used to understand differences due to particle shape and interaction. For larger particles, the effects of shape and interaction are studied with respect to dynamic yielding and shear thickening. The dynamic yield stress is found to increase with volume fraction while the stress at thickening is constant. The intersection of these indicates a possible jamming point below φRCP.

One-dimensional gravity in infinite point distributions.

PubMed

Gabrielli, A; Joyce, M; Sicard, F

2009-10-01

The dynamics of infinite asymptotically uniform distributions of purely self-gravitating particles in one spatial dimension provides a simple and interesting toy model for the analogous three dimensional problem treated in cosmology. In this paper we focus on a limitation of such models as they have been treated so far in the literature: the force, as it has been specified, is well defined in infinite point distributions only if there is a centre of symmetry (i.e., the definition requires explicitly the breaking of statistical translational invariance). The problem arises because naive background subtraction (due to expansion, or by "Jeans swindle" for the static case), applied as in three dimensions, leaves an unregulated contribution to the force due to surface mass fluctuations. Following a discussion by Kiessling of the Jeans swindle in three dimensions, we show that the problem may be resolved by defining the force in infinite point distributions as the limit of an exponentially screened pair interaction. We show explicitly that this prescription gives a well defined (finite) force acting on particles in a class of perturbed infinite lattices, which are the point processes relevant to cosmological N -body simulations. For identical particles the dynamics of the simplest toy model (without expansion) is equivalent to that of an infinite set of points with inverted harmonic oscillator potentials which bounce elastically when they collide. We discuss and compare with previous results in the literature and present new results for the specific case of this simplest (static) model starting from "shuffled lattice" initial conditions. These show qualitative properties of the evolution (notably its "self-similarity") like those in the analogous simulations in three dimensions, which in turn resemble those in the expanding universe.

Use of electromyography to detect muscle exhaustion in finishing barrows fed ractopamine HCl.

PubMed

Noel, J A; Broxterman, R M; McCoy, G M; Craig, J C; Phelps, K J; Burnett, D D; Vaughn, M A; Barstow, T J; O'Quinn, T G; Woodworth, J C; DeRouchey, J M; Rozell, T G; Gonzalez, J M

2016-06-01

The objectives of this study were to determine the effects of dietary ractopamine HCl (RAC) on muscle fiber characteristics and electromyography (EMG) measures of finishing barrow exhaustion when barrows were subjected to increased levels of activity. Barrows ( = 34; 92 ± 2 kg initial BW) were assigned to 1 of 2 treatments: a conventional swine finishing diet containing 0 mg/kg ractopamine HCl (CON) or a diet formulated to meet the requirements of finishing barrows fed 10 mg/kg RAC (RAC+). After 32 d on feed, barrows were individually moved around a track at 0.79 m/s until subjectively exhausted. Wireless EMG sensors were affixed to the deltoideus (DT), triceps brachii lateral head (TLH), tensor fasciae latae (TFL), and semitendinosus (ST) muscles to measure median power frequency (MdPF) and root mean square (RMS) as indicators of action potential conduction velocity and muscle fiber recruitment, respectively. After harvest, samples of each muscle were collected for fiber type, succinate dehydrogenase (SDH), and capillary density analysis. Speed was not different ( = 0.82) between treatments, but RAC+ barrows reached subjective exhaustion earlier and covered less distance than CON barrows ( < 0.01). There were no treatment × muscle interactions or treatment effects for end-point MdPF values ( > 0.29). There was a treatment × muscle interaction ( = 0.04) for end-point RMS values. The RAC diet did not change end-point RMS values in the DT or TLH ( > 0.37); however, the diet tended to decrease and increase end-point RMS in the ST and TFL, respectively ( < 0.07). There were no treatment × muscle interactions for fiber type, SDH, or capillary density measures ( > 0.10). Muscles of RAC+ barrows tended to have less type I fibers and more capillaries per fiber ( < 0.07). Type I and IIA fibers of RAC+ barrows were larger ( < 0.07). Compared with all other muscles, the ST had more ( < 0.01) type IIB fibers and larger type I, IIA, and IIX fibers ( < 0.01). Type I, IIA, and IIX fibers of the ST also contained less SDH compared with the other muscles ( < 0.01). Barrows fed a RAC diet had increased time to subjective exhaustion due to loss of active muscle fibers in the ST, possibly due to fibers being larger and less oxidative in metabolism. Size increases in type I and IIA fibers with no change in oxidative capacity could also contribute to early exhaustion of RAC+ barrows. Overall, EMG technology can measure real-time muscle fiber loss to help explain subjective exhaustion in barrows.

Phi ({Phi}) and psi ({Psi}) angles involved in malarial peptide bonds determine sterile protective immunity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patarroyo, Manuel E., E-mail: mepatarr@gmail.com; Universidad Nacional de Colombia, Bogota; Moreno-Vranich, Armando

Highlights: Black-Right-Pointing-Pointer Phi ({Phi}) and psi ({Psi}) angles determine sterile protective immunity. Black-Right-Pointing-Pointer Modified peptide's tendency to assume a regular conformation related to a PPII{sub L}. Black-Right-Pointing-Pointer Structural modifications in mHABPs induce Ab and protective immunity. Black-Right-Pointing-Pointer mHABP backbone atom's interaction with HLA-DR{beta}1{sup Asterisk-Operator} is stabilised by H-bonds. -- Abstract: Modified HABP (mHABP) regions interacting with HLA-DR{beta}1{sup Asterisk-Operator} molecules have a more restricted conformation and/or sequence than other mHABPs which do not fit perfectly into their peptide binding regions (PBR) and do not induce an acceptable immune response due to the critical role of their {Phi} and {Psi} torsion angles.more » These angle's critical role was determined in such highly immunogenic, protection-inducing response against experimental malaria using the conformers (mHABPs) obtained by {sup 1}H-NMR and superimposed into HLA-DR{beta}1{sup Asterisk-Operator }-like Aotus monkey molecules; their phi ({Phi}) and psi ({Psi}) angles were measured and the H-bond formation between these molecules was evaluated. The aforementioned mHABP propensity to assume a regular conformation similar to a left-handed polyproline type II helix (PPII{sub L}) led to suggesting that favouring these conformations according to their amino acid sequence would lead to high antibody titre production and sterile protective immunity induction against malaria, thereby adding new principles or rules for vaccine development, malaria being one of them.« less

Lattice Simulations in MOM v.s. Schroedinger Functional Scheme and Triality

DOE Office of Scientific and Technical Information (OSTI.GOV)

Furui, Sadataka

The QCD beta function extracted from polarized electron proton scattering data obtained at JLab and the lattice simulation in the MOM scheme suggest that the critical flavor number for the presence of IR fixed point is about three. In analyses of Schroedinger functional scheme, however, critical flavor number for the presence of IR fixed point and the conformality is larger than nine.In the QCD analysis, when quarks are expressed in quaternion basis, the product of quaternions are expressed by octonions and the octonion posesses the triality symmetry. Since the triality has the effect of multiplying the falvor number, it couldmore » explain the apparent large critical flavor number in the Schroedinger functinal scheme. In this scheme, larger degrees of freedom in adjusting data of different scales on the boundary are necessary than in the MOM scheme.In weak interaction, there is no clear lepton-flavor violation except in the neutrino oscillation. If the triality is assigned to the lepton flavors(e,{mu} and {tau}) and they are assumed to be exact symmetry, or the electro-magnetic interaction preserves tiality, but the strong interaction is triality blind, there is a possibility of explaining the neutrino oscillation through triality mixing of the matter field.The self energy of gluons, ghost and gauge bosons due to self-dual gauge fields and leptonic decays of B,D and D{sub s} mesons are discussed.« less

Defect classification in sparsity-based structural health monitoring

NASA Astrophysics Data System (ADS)

Golato, Andrew; Ahmad, Fauzia; Santhanam, Sridhar; Amin, Moeness G.

2017-05-01

Guided waves have gained popularity in structural health monitoring (SHM) due to their ability to inspect large areas with little attenuation, while providing rich interactions with defects. For thin-walled structures, the propagating waves are Lamb waves, which are a complex but well understood type of guided waves. Recent works have cast the defect localization problem of Lamb wave based SHM within the sparse reconstruction framework. These methods make use of a linear model relating the measurements with the scene reflectivity under the assumption of point-like defects. However, most structural defects are not perfect points but tend to assume specific forms, such as surface cracks or internal cracks. Knowledge of the "type" of defects is useful in the assessment phase of SHM. In this paper, we present a dual purpose sparsity-based imaging scheme which, in addition to accurately localizing defects, properly classifies the defects present simultaneously. The proposed approach takes advantage of the bias exhibited by certain types of defects toward a specific Lamb wave mode. For example, some defects strongly interact with the anti-symmetric modes, while others strongly interact with the symmetric modes. We build model based dictionaries for the fundamental symmetric and anti-symmetric wave modes, which are then utilized in unison to properly localize and classify the defects present. Simulated data of surface and internal defects in a thin Aluminum plate are used to validate the proposed scheme.

Interaction between a railway track and uniformly moving tandem wheels

NASA Astrophysics Data System (ADS)

Belotserkovskiy, P. M.

2006-12-01

Interaction among loaded wheels via railway track is studied. The vertical parametric oscillations of an infinite row of identical equally spaced wheels, bearing constant load and uniformly moving over a railway track, are calculated by means of Fourier series technique. If the distance between two consecutive wheels is big enough, then one can disregard their interaction via the railway track and consider every wheel as a single one. In this case, however, the Fourier series technique represents an appropriate computation time-saving approximation to a Fourier integral transformation technique that describes the oscillations of a single moving wheel. Two schemes are considered. In the first scheme, every wheel bears the same load. In the second one, consecutive wheels bear contrarily directed loads of the same magnitude. The second scheme leads to simpler calculations and so is recommended to model the wheel-track interaction. The railway track periodicity due to sleeper spacing is taken into account. Each period is the track segment between two adjacent sleepers. A partial differential equation with constant coefficients governs the vertical oscillations of each segment. Boundary conditions bind the oscillations of two neighbour segments and provide periodicity to the track. The shear deformation in the rail cross-section strongly influences the parametric oscillations. It also causes discontinuity of the rail centre-line slope at any point, where a concentrated transverse force is applied. Therefore, Timoshenko beam properties with respect to the topic of this paper are discussed. Interaction between a railway track and a bogie moving at moderate speed is studied. The study points to influence of the bogie frame oscillations on variation in the wheel-rail contact force over the sleeper span. The simplified bogie model considered includes only the primary suspension. A static load applied to the bogie frame centre presents the vehicle body.

Localisation of gamma-ray interaction points in thick monolithic CeBr3 and LaBr3:Ce scintillators

NASA Astrophysics Data System (ADS)

Ulyanov, Alexei; Morris, Oran; Roberts, Oliver J.; Tobin, Isaac; Hanlon, Lorraine; McBreen, Sheila; Murphy, David; Nelms, Nick; Shortt, Brian

2017-02-01

Localisation of gamma-ray interaction points in monolithic scintillator crystals can simplify the design and improve the performance of a future Compton telescope for gamma-ray astronomy. In this paper we compare the position resolution of three monolithic scintillators: a 28×28×20 mm3 (length×breadth × thickness) LaBr3:Ce crystal, a 25×25×20 mm3 CeBr3 crystal and a 25×25×10 mm3 CeBr3 crystal. Each crystal was encapsulated and coupled to an array of 4×4 silicon photomultipliers through an optical window. The measurements were conducted using 81 keV and 356 keV gamma-rays from a collimated 133Ba source. The 3D position reconstruction of interaction points was performed using artificial neural networks trained with experimental data. Although the position resolution was significantly better for the thinner crystal, the 20 mm thick CeBr3 crystal showed an acceptable resolution of about 5.4 mm FWHM for the x and y coordinates, and 7.8 mm FWHM for the z-coordinate (crystal depth) at 356 keV. These values were obtained from the full position scans of the crystal sides. The position resolution of the LaBr3:Ce crystal was found to be considerably worse, presumably due to the highly diffusive optical interface between the crystal and the optical window of the enclosure. The energy resolution (FWHM) measured for 662 keV gamma-rays was 4.0% for LaBr3:Ce and 5.5% for CeBr3. The same crystals equipped with a PMT (Hamamatsu R6322-100) gave an energy resolution of 3.0% and 4.7%, respectively.

Strain amplitude-dependent anelasticity in Cu-Ni solid solution due to thermally activated and athermal dislocation-point obstacle interactions

NASA Astrophysics Data System (ADS)

Kustov, S.; Gremaud, G.; Benoit, W.; Golyandin, S.; Sapozhnikov, K.; Nishino, Y.; Asano, S.

1999-02-01

Experimental investigations of the internal friction and the Young's modulus defect in single crystals of Cu-(1.3-7.6) at. % Ni have been performed for 7-300 K over a wide range of oscillatory strain amplitudes. Extensive data have been obtained at a frequency of vibrations around 100 kHz and compared with the results obtained for the same crystals at a frequency of ˜1 kHz. The strain amplitude dependence of the anelastic strain amplitude and the average friction stress acting on a dislocation due to solute atoms are also analyzed. Several stages in the strain amplitude dependence of the internal friction and the Young's modulus defect are revealed for all of the alloy compositions, at different temperatures and in different frequency ranges. For the 100 kHz frequency, low temperatures and low strain amplitudes (˜10-7-10-5), the amplitude-dependent internal friction and the Young's modulus defect are essentially temperature independent, and are ascribed to a purely hysteretic internal friction component. At higher strain amplitudes, a transition stage and a steep strain amplitude dependence of the internal friction and the Young's modulus defect are observed, followed by saturation at the highest strain amplitudes employed. These stages are temperature and frequency dependent and are assumed to be due to thermally activated motion of dislocations. We suggest that the observed regularities in the entire strain amplitude, temperature and frequency ranges correspond to a motion of dislocations in a two-component system of obstacles: weak but long-range ones, due to the elastic interaction of dislocations with solute atoms distributed in the bulk of the crystal; and strong short-range ones, due to the interaction of dislocations with solute atoms distributed close to dislocation glide planes. Based on these assumptions, a qualitative explanation is given for the variety of experimental observations.

Brownian cluster dynamics with short range patchy interactions: Its application to polymers and step-growth polymerization

NASA Astrophysics Data System (ADS)

Prabhu, A.; Babu, S. B.; Dolado, J. S.; Gimel, J.-C.

2014-07-01

We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel potential to describe patchy interactions between particles. This technique gives access to static properties, dynamics and kinetics of the system, even far from the equilibrium. Particle thermal motions are modeled using billions of independent small random translations and rotations, constrained by the excluded volume and the connectivity. This algorithm, applied to a single polymer chain leads to correct static and dynamic properties, in the framework where hydrodynamic interactions are ignored. By varying patch angles, various local chain flexibilities can be obtained. We have used this new algorithm to model step-growth polymerization under various solvent qualities. The polymerization reaction is modeled by an irreversible aggregation between patches while an isotropic finite square-well potential is superimposed to mimic the solvent quality. In bad solvent conditions, a competition between a phase separation (due to the isotropic interaction) and polymerization (due to patches) occurs. Surprisingly, an arrested network with a very peculiar structure appears. It is made of strands and nodes. Strands gather few stretched chains that dip into entangled globular nodes. These nodes act as reticulation points between the strands. The system is kinetically driven and we observe a trapped arrested structure. That demonstrates one of the strengths of this new simulation technique. It can give valuable insights about mechanisms that could be involved in the formation of stranded gels.

Crystallization of soft matter under confinement at interfaces and in wedges

NASA Astrophysics Data System (ADS)

Archer, Andrew J.; Malijevský, Alexandr

2016-06-01

The surface freezing and surface melting transitions that are exhibited by a model two-dimensional soft matter system are studied. The behaviour when confined within a wedge is also considered. The system consists of particles interacting via a soft purely repulsive pair potential. Density functional theory (DFT) is used to calculate density profiles and thermodynamic quantities. The external potential due to the confining walls is modelled via a hard wall with an additional repulsive Yukawa potential. The surface phase behaviour depends on the range and strength of this repulsion: when the repulsion is weak, the wall promotes freezing at the surface of the wall. The thickness of this frozen layer grows logarithmically as the bulk liquid-solid phase coexistence is approached. Our mean-field DFT predicts that this crystalline layer at the wall must be nucleated (i.e. there is a free energy barrier) and its formation is necessarily a first-order transition, referred to as ‘prefreezing’, by analogy with the prewetting transition. However, in contrast to the latter, prefreezing cannot terminate in a critical point, since the phase transition involves a change in symmetry. If the wall-fluid interaction is sufficiently long ranged and the repulsion is strong enough, surface melting can occur instead. Then the interface between the wall and the bulk crystalline solid is wetted by the liquid phase as the chemical potential is decreased towards the value at liquid-solid coexistence. It is observed that the finite thickness fluid film at the wall has a broken translational symmetry due to its proximity to the bulk crystal, and so the nucleation of the wetting film can be either first order or continuous. Our mean-field theory predicts that for certain wall potentials there is a premelting critical point analogous to the surface critical point for the prewetting transition. When the fluid is confined within a linear wedge, this can strongly promote freezing when the opening angle of the wedge is commensurate with the crystal lattice.

Protein interactions during flour mixing using wheat flour with altered starch.

PubMed

Wang, Xiaolong; Appels, Rudi; Zhang, Xiaoke; Diepeveen, Dean; Torok, Kitti; Tomoskozi, Sandor; Bekes, Ferenc; Ma, Wujun; Sharp, Peter; Islam, Shahidul

2017-09-15

Wheat grain proteins responses to mixing and thermal treatment were investigated using Mixolab-dough analysis systems with flour from two cultivars, Ventura-26 (normal amylose content) and Ventura-19 (reduced amylose content). Size exclusion high performance liquid chromatography (SE-HPLC) and two-dimensional gel electrophoresis (2-DGE) analysis revealed that, stress associated and metabolic proteins largely interacted with dough matrix of Ventura-26 after 26min (56°C); gliadins, avenin-like b proteins, LMW-GSs, and partial globulins showed stronger interactions within the dough matrix of Ventura-26 at 32min/C3 (80°C), thereafter, however, stronger protein interactions were observed within the dough matrix of Ventura-19 at 38min/C4 (85°C) and 43min (80°C). Thirty-seven proteins associated with changes in dough matrix due to reduced amylose content were identified by mass spectrometry and mainly annotated to the chromosome group 1, 4, and 6. The findings provide new entry points for modifying final product attributes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

NASA Astrophysics Data System (ADS)

Rodgers, Jocelyn M.; Weeks, John D.

2009-12-01

Coulomb interactions are present in a wide variety of all-atom force fields. Spherical truncations of these interactions permit fast simulations but are problematic due to their incorrect thermodynamics. Herein we demonstrate that simple analytical corrections for the thermodynamics of uniform truncated systems are possible. In particular, results for the simple point charge/extended (SPC/E) water model treated with spherically truncated Coulomb interactions suggested by local molecular field theory [J. M. Rodgers and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 105, 19136 (2008)] are presented. We extend the results developed by Chandler [J. Chem. Phys. 65, 2925 (1976)] so that we may treat the thermodynamics of mixtures of flexible charged and uncharged molecules simulated with spherical truncations. We show that the energy and pressure of spherically truncated bulk SPC/E water are easily corrected using exact second-moment-like conditions on long-ranged structure. Furthermore, applying the pressure correction as an external pressure removes the density errors observed by other research groups in NPT simulations of spherically truncated bulk species.

Comparative analysis of ArnCl2 (2 ? n ? 30) clusters taking into account molecular relaxation effects

NASA Astrophysics Data System (ADS)

Ferreira, G. G.; Borges, E.; Braga, J. P.; Belchior, J. C.

Cluster structures are discussed in a nonrigid analysis, using a modified minima search method based on stochastic processes and classical dynamics simulations. The relaxation process is taken into account considering the internal motion of the Cl2 molecule. Cluster structures are compared with previous works in which the Cl2 molecule is assumed to be rigid. The interactions are modeled using pair potentials: the Aziz and Lennard-Jones potentials for the Ar==Ar interaction, a Morse potential for the Cl==Cl interaction, and a fully spherical/anisotropic Morse-Spline-van der Waals (MSV) potential for the Ar==Cl interaction. As expected, all calculated energies are lower than those obtained in a rigid approximation; one reason may be attributed to the nonrigid contributions of the internal motion of the Cl2 molecule. Finally, the growing processes in molecular clusters are discussed, and it is pointed out that the growing mechanism can be affected due to the nonrigid initial conditions of smaller clusters such as ArnCl2 (n ? 4 or 5), which are seeds for higher-order clusters.

Biting cleaner fish use altruism to deceive image-scoring client reef fish.

PubMed Central

Bshary, Redouan

2002-01-01

Humans are more likely to help those who they have observed helping others previously. Individuals may thus benefit from being altruistic without direct reciprocity of recipients but due to gains in 'image' and associated indirect reciprocity. I suggest, however, that image-scoring individuals may be exploitable by cheaters if pay-offs vary between interactions. I illustrate this point with data on cleaner-client reef fish interactions. I show the following: (i) there is strong variation between cleaners with respect to cheating of clients (i.e. feeding on client tissue instead of parasites); (ii) clients approach cleaners, that they observe cooperating with their current client and avoid cleaners that they observe cheating; (iii) cleaners that cheat frequently are avoided more frequently than more cooperative cleaners (iv) cleaners that cheat frequently behave altruistically towards their smallest client species; (v) altruistic acts are followed by exploitative interactions. Thus, it appears that cleaners indeed have an image score, which selects for cooperative cleaners. However, cheating cleaners use altruism in potentially low-pay-off interactions to deceive and attract image-scoring clients that will be exploited. PMID:12396482

SNM1B/Apollo interacts with astrin and is required for the prophase cell cycle checkpoint.

PubMed

Liu, Lingling; Akhter, Shamima; Bae, Jae-Bum; Mukhopadhyay, Sudit S; Richie, Christopher T; Liu, Xiaojun; Legerski, Randy

2009-02-15

Previously, we have shown that SNM1A is a multifunctional gene involved in both the DNA damage response and in an early mitotic checkpoint in response to spindle stress. Another member of the SNM1 gene family, SNM1B/Apollo, has been shown to have roles in both the response to DNA interstrand cross-linking agents and in telomere protection during S phase. Here, we demonstrate a novel role for SNM1B/Apollo in mitosis in response to spindle stress. SNM1B-deficient cells exhibit a defect in the prophase checkpoint. Loss of the prophase checkpoint induces an extended mitotic delay, which is due to prolonged activation of the spindle checkpoint. In addition, we show that SNM1B/Apollo interacts with the essential microtubule binding protein Astrin. SNM1B/Apollo interacts with Astrin through its conserved metallo-beta-lactamase domain, and disruption of this interaction by point mutations results in a deficient prophase checkpoint. These findings suggest that SNM1B/Apollo and Astrin function together to enforce the prophase checkpoint in response to spindle stress.

Soft beams: When capillarity induces axial compression

NASA Astrophysics Data System (ADS)

Neukirch, S.; Antkowiak, A.; Marigo, J.-J.

2014-01-01

We study the interaction of an elastic beam with a liquid drop in the case where bending and extensional effects are both present. We use a variational approach to derive equilibrium equations and constitutive relation for the beam. This relation is shown to include a term due to surface energy in addition to the classical Young's modulus term, leading to a modification of Hooke's law. At the triple point where solid, liquid, and vapor phases meet, we find that the external force applied on the beam is parallel to the liquid-vapor interface. Moreover, in the case where solid-vapor and solid-liquid interface energies do not depend on the extension state of the beam, we show that the extension in the beam is continuous at the triple point and that the wetting angle satisfies the classical Young-Dupré relation.

Soft beams: when capillarity induces axial compression.

PubMed

Neukirch, S; Antkowiak, A; Marigo, J-J

2014-01-01

We study the interaction of an elastic beam with a liquid drop in the case where bending and extensional effects are both present. We use a variational approach to derive equilibrium equations and constitutive relation for the beam. This relation is shown to include a term due to surface energy in addition to the classical Young's modulus term, leading to a modification of Hooke's law. At the triple point where solid, liquid, and vapor phases meet, we find that the external force applied on the beam is parallel to the liquid-vapor interface. Moreover, in the case where solid-vapor and solid-liquid interface energies do not depend on the extension state of the beam, we show that the extension in the beam is continuous at the triple point and that the wetting angle satisfies the classical Young-Dupré relation.

Point vortex interactions on a toroidal surface.

PubMed

Sakajo, Takashi; Shimizu, Yuuki

2016-07-01

Owing to non-constant curvature and a handle structure, it is not easy to imagine intuitively how flows with vortex structures evolve on a toroidal surface compared with those in a plane, on a sphere and a flat torus. In order to cultivate an insight into vortex interactions on this manifold, we derive the evolution equation for N -point vortices from Green's function associated with the Laplace-Beltrami operator there, and we then formulate it as a Hamiltonian dynamical system with the help of the symplectic geometry and the uniformization theorem. Based on this Hamiltonian formulation, we show that the 2-vortex problem is integrable. We also investigate the point vortex equilibria and the motion of two-point vortices with the strengths of the same magnitude as one of the fundamental vortex interactions. As a result, we find some characteristic interactions between point vortices on the torus. In particular, two identical point vortices can be locally repulsive under a certain circumstance.

Point vortex interactions on a toroidal surface

PubMed Central

Shimizu, Yuuki

2016-01-01

Owing to non-constant curvature and a handle structure, it is not easy to imagine intuitively how flows with vortex structures evolve on a toroidal surface compared with those in a plane, on a sphere and a flat torus. In order to cultivate an insight into vortex interactions on this manifold, we derive the evolution equation for N-point vortices from Green's function associated with the Laplace–Beltrami operator there, and we then formulate it as a Hamiltonian dynamical system with the help of the symplectic geometry and the uniformization theorem. Based on this Hamiltonian formulation, we show that the 2-vortex problem is integrable. We also investigate the point vortex equilibria and the motion of two-point vortices with the strengths of the same magnitude as one of the fundamental vortex interactions. As a result, we find some characteristic interactions between point vortices on the torus. In particular, two identical point vortices can be locally repulsive under a certain circumstance. PMID:27493577

Finite Element modelling of deformation induced by interacting volcanic sources

NASA Astrophysics Data System (ADS)

Pascal, Karen; Neuberg, Jürgen; Rivalta, Eleonora

2010-05-01

The displacement field due to magma movements in the subsurface is commonly modelled using the solutions for a point source (Mogi, 1958), a finite spherical source (McTigue, 1987), or a dislocation source (Okada, 1992) embedded in a homogeneous elastic half-space. When the magmatic system comprises more than one source, the assumption of homogeneity in the half-space is violated and several sources are combined, their respective deformation field being summed. We have investigated the effects of neglecting the interaction between sources on the surface deformation field. To do so, we calculated the vertical and horizontal displacements for models with adjacent sources and we tested them against the solutions of corresponding numerical 3D finite element models. We implemented several models combining spherical pressure sources and dislocation sources, varying their relative position. Furthermore we considered the impact of topography, loading, and magma compressibility. To quantify the discrepancies and compare the various models, we calculated the difference between analytical and numerical maximum horizontal or vertical surface displacements.We will demonstrate that for certain conditions combining analytical sources can cause an error of up to 20%. References: McTigue, D. F. (1987), Elastic Stress and Deformation Near a Finite Spherical Magma Body: Resolution of the Point Source Paradox, J. Geophys. Res. 92, 12931-12940. Mogi, K. (1958), Relations between the eruptions of various volcanoes and the deformations of the ground surfaces around them, Bull Earthquake Res Inst, Univ Tokyo 36, 99-134. Okada, Y. (1992), Internal Deformation Due to Shear and Tensile Faults in a Half-Space, Bulletin of the Seismological Society of America 82(2), 1018-1040.

Galactic center gamma-ray excess from dark matter annihilation: is there a black hole spike?

PubMed

Fields, Brian D; Shapiro, Stuart L; Shelton, Jessie

2014-10-10

If the supermassive black hole Sgr A* at the center of the Milky Way grew adiabatically from an initial seed embedded in a Navarro-Frenk-White dark matter (DM) halo, then the DM profile near the hole has steepened into a spike. We calculate the dramatic enhancement to the gamma-ray flux from the Galactic center (GC) from such a spike if the 1-3 GeV excess observed in Fermi data is due to DM annihilations. We find that for the parameter values favored in recent fits, the point-source-like flux from the spike is 35 times greater than the flux from the inner 1° of the halo, far exceeding all Fermi point source detections near the GC. We consider the dependence of the spike signal on astrophysical and particle parameters and conclude that if the GC excess is due to DM, then a canonical adiabatic spike is disfavored by the data. We discuss alternative Galactic histories that predict different spike signals, including (i) the nonadiabatic growth of the black hole, possibly associated with halo and/or black hole mergers, (ii) gravitational interaction of DM with baryons in the dense core, such as heating by stars, or (iii) DM self-interactions. We emphasize that the spike signal is sensitive to a different combination of particle parameters than the halo signal and that the inclusion of a spike component to any DM signal in future analyses would provide novel information about both the history of the GC and the particle physics of DM annihilations.

Evaluation of Intersection Traffic Control Measures through Simulation

NASA Astrophysics Data System (ADS)

Asaithambi, Gowri; Sivanandan, R.

2015-12-01

Modeling traffic flow is stochastic in nature due to randomness in variables such as vehicle arrivals and speeds. Due to this and due to complex vehicular interactions and their manoeuvres, it is extremely difficult to model the traffic flow through analytical methods. To study this type of complex traffic system and vehicle interactions, simulation is considered as an effective tool. Application of homogeneous traffic models to heterogeneous traffic may not be able to capture the complex manoeuvres and interactions in such flows. Hence, a microscopic simulation model for heterogeneous traffic is developed using object oriented concepts. This simulation model acts as a tool for evaluating various control measures at signalized intersections. The present study focuses on the evaluation of Right Turn Lane (RTL) and Channelised Left Turn Lane (CLTL). A sensitivity analysis was performed to evaluate RTL and CLTL by varying the approach volumes, turn proportions and turn lane lengths. RTL is found to be advantageous only up to certain approach volumes and right-turn proportions, beyond which it is counter-productive. CLTL is found to be advantageous for lower approach volumes for all turn proportions, signifying the benefits of CLTL. It is counter-productive for higher approach volume and lower turn proportions. This study pinpoints the break-even points for various scenarios. The developed simulation model can be used as an appropriate intersection lane control tool for enhancing the efficiency of flow at intersections. This model can also be employed for scenario analysis and can be valuable to field traffic engineers in implementing vehicle-type based and lane-based traffic control measures.

Local spatial frequency analysis for computer vision

NASA Technical Reports Server (NTRS)

Krumm, John; Shafer, Steven A.

1990-01-01

A sense of vision is a prerequisite for a robot to function in an unstructured environment. However, real-world scenes contain many interacting phenomena that lead to complex images which are difficult to interpret automatically. Typical computer vision research proceeds by analyzing various effects in isolation (e.g., shading, texture, stereo, defocus), usually on images devoid of realistic complicating factors. This leads to specialized algorithms which fail on real-world images. Part of this failure is due to the dichotomy of useful representations for these phenomena. Some effects are best described in the spatial domain, while others are more naturally expressed in frequency. In order to resolve this dichotomy, we present the combined space/frequency representation which, for each point in an image, shows the spatial frequencies at that point. Within this common representation, we develop a set of simple, natural theories describing phenomena such as texture, shape, aliasing and lens parameters. We show these theories lead to algorithms for shape from texture and for dealiasing image data. The space/frequency representation should be a key aid in untangling the complex interaction of phenomena in images, allowing automatic understanding of real-world scenes.

Advances in modelling subglacial lakes and their interaction with the Antarctic ice sheet.

PubMed

Pattyn, Frank; Carter, Sasha P; Thoma, Malte

2016-01-28

Subglacial lakes have long been considered hydraulically isolated water bodies underneath ice sheets. This view changed radically with the advent of repeat-pass satellite altimetry and the discovery of multiple lake discharges and water infill, associated with water transfer over distances of more than 200 km. The presence of subglacial lakes also influences ice dynamics, leading to glacier acceleration. Furthermore, subglacial melting under the Antarctic ice sheet is more widespread than previously thought, and subglacial melt rates may explain the availability for water storage in subglacial lakes and water transport. Modelling of subglacial water discharge in subglacial lakes essentially follows hydraulics of subglacial channels on a hard bed, where ice sheet surface slope is a major control on triggering subglacial lake discharge. Recent evidence also points to the development of channels in deformable sediment in West Antarctica, with significant water exchanges between till and ice. Most active lakes drain over short time scales and respond rapidly to upstream variations. Several Antarctic subglacial lakes exhibit complex interactions with the ice sheet due to water circulation. Subglacial lakes can therefore-from a modelling point of view-be seen as confined small oceans underneath an imbedded ice shelf. © 2015 The Author(s).

Fluctuations in non-ideal pion gas with dynamically fixed particle number

NASA Astrophysics Data System (ADS)

Kolomeitsev, E. E.; Voskresensky, D. N.

2018-05-01

We consider a non-ideal hot pion gas with the dynamically fixed number of particles in the model with the λϕ4 interaction. The effective Lagrangian for the description of such a system is obtained after dropping the terms responsible for the change of the total particle number. Reactions π+π- ↔π0π0, which determine the isospin balance of the medium, are permitted. Within the self-consistent Hartree approximation we compute the effective pion mass, thermodynamic characteristics of the system and the variance of the particle number at temperatures above the critical point of the induced Bose-Einstein condensation when the pion chemical potential reaches the value of the effective pion mass. We analyze conditions for the condensate formation in the process of thermalization of an initially non-equilibrium pion gas. The normalized variance of the particle number increases with a temperature decrease but remains finite in the critical point of the Bose-Einstein condensation. This is due to the non-perturbative account of the interaction and is in contrast to the ideal-gas case. In the kinetic regime of the condensate formation the variance is shown to stay finite also.

Computer-Aided Parallelizer and Optimizer

NASA Technical Reports Server (NTRS)

Jin, Haoqiang

2011-01-01

The Computer-Aided Parallelizer and Optimizer (CAPO) automates the insertion of compiler directives (see figure) to facilitate parallel processing on Shared Memory Parallel (SMP) machines. While CAPO currently is integrated seamlessly into CAPTools (developed at the University of Greenwich, now marketed as ParaWise), CAPO was independently developed at Ames Research Center as one of the components for the Legacy Code Modernization (LCM) project. The current version takes serial FORTRAN programs, performs interprocedural data dependence analysis, and generates OpenMP directives. Due to the widely supported OpenMP standard, the generated OpenMP codes have the potential to run on a wide range of SMP machines. CAPO relies on accurate interprocedural data dependence information currently provided by CAPTools. Compiler directives are generated through identification of parallel loops in the outermost level, construction of parallel regions around parallel loops and optimization of parallel regions, and insertion of directives with automatic identification of private, reduction, induction, and shared variables. Attempts also have been made to identify potential pipeline parallelism (implemented with point-to-point synchronization). Although directives are generated automatically, user interaction with the tool is still important for producing good parallel codes. A comprehensive graphical user interface is included for users to interact with the parallelization process.

A perfectly conducting surface in electrodynamics with Lorentz symmetry breaking

NASA Astrophysics Data System (ADS)

Borges, L. H. C.; Barone, F. A.

2017-10-01

In this paper we consider a model which exhibits explicit Lorentz symmetry breaking due to the presence of a single background vector v^{μ } coupled to the gauge field. We investigate such a theory in the vicinity of a perfectly conducting plate for different configurations of v^{μ }. First we consider no restrictions on the components of the background vector and we treat it perturbatively up to second order. Next, we treat v^{μ } exactly for two special cases: the first one is when it has only components parallel to the plate, and the second one when it has a single component perpendicular to the plate. For all these configurations, the propagator for the gauge field and the interaction force between the plate and a point-like electric charge are computed. Surprisingly, it is shown that the image method is valid in our model and we argue that it is a non-trivial result. We show there arises a torque on the mirror with respect to its positioning in the background field when it interacts with a point-like charge. It is a new effect with no counterpart in theories with Lorentz symmetry in the presence of a perfect mirror.

Interaction of phenylbutazone and colchicine in binding to serum albumin in rheumatoid therapy: 1H NMR study

NASA Astrophysics Data System (ADS)

Maciążek-Jurczyk, M.; Sułkowska, A.; Bojko, B.; Równicka-Zubik, J.; Sułkowski, W. W.

2009-09-01

The monitoring of drug concentration in blood serum is necessary in multi-drug therapy. Mechanism of drug binding with serum albumin (SA) is one of the most important factors which determine drug concentration and its transport to the destination tissues. In rheumatoid diseases drugs which can induce various adverse effects are commonly used in combination therapy. Such proceeding may result in the enhancement of those side effects due to drug interaction. Interaction of phenylbutazone and colchicine in binding to serum albumin and competition between them in gout has been studied by proton nuclear magnetic resonance ( 1H NMR) technique. The aim of the study was to determine the low affinity binding sites, the strength and kind of interaction between serum albumin and drugs used in combination therapy. The study of competition between phenylbutazone and colchicine in binding to serum albumin points to the change of their affinity to serum albumin in the ternary systems. This should be taken into account in multi-drug therapy. This work is a subsequent part of the spectroscopic study on Phe-COL-SA interactions [A. Sułkowska, et al., J. Mol. Struct. 881 (2008) 97-106].

Plant-pollinator interactions under climate change: The use of spatial and temporal transplants.

PubMed

Morton, Eva M; Rafferty, Nicole E

2017-06-01

Climate change is affecting both the timing of life history events and the spatial distributions of many species, including plants and pollinators. Shifts in phenology and range affect not only individual plant and pollinator species but also interactions among them, with possible negative consequences for both parties due to unfavorable abiotic conditions or mismatches caused by differences in shift magnitude or direction. Ultimately, population extinctions and reductions in pollination services could occur as a result of these climate change-induced shifts, or plants and pollinators could be buffered by plastic or genetic responses or novel interactions. Either scenario will likely involve altered selection pressures, making an understanding of plasticity and local adaptation in space and time especially important. In this review, we discuss two methods for studying plant-pollinator interactions under climate change: spatial and temporal transplants, both of which offer insight into whether plants and pollinators will be able to adapt to novel conditions. We discuss the advantages and limitations of each method and the future possibilities for this area of study. We advocate for consideration of how joint shifts in both dimensions might affect plant-pollinator interactions and point to key insights that can be gained with experimental transplants.

Investigation on cytoskeleton dynamics for no-adherent cells subjected to point-like stimuli by digital holographic microscopy and holographic optical trapping

NASA Astrophysics Data System (ADS)

Miccio, Lisa; Merola, Francesco; Memmolo, Pasquale; Mugnano, Martina; Fusco, Sabato; Netti, Paolo A.; Ferraro, Pietro

2014-05-01

Guiding, controlling and studying cellular functions are challenging themes in the biomedical field, as they are fundamental prerequisites for new therapeutic strategies from tissue regeneration to controlled drug delivery. In recent years, multidisciplinary studies in nanotechnology offer new tools to investigate important biophysical phenomena in response to the local physical characteristics of the extracellular environment, some examples are the mechanisms of cell adhesion, migration, communication and differentiation. Indeed for reproducing the features of the extracellular matrix in vitro, it is essential to develop active devices that evoke as much as possible the natural cellular environment. Our investigation is in the framework of studying and clarifying the biophysical mechanisms of the interaction between cells and the microenvironment in which they exist. We implement an optical tweezers setup to investigate cell material interaction and we use Digital Holography as non-invasive imaging technique in microscopy. We exploit Holographic Optical Tweezers arrangement in order to trap and manage functionalized micrometric latex beads to induce mechanical deformation in suspended cells. A lot of papers in literature examine the dynamics of the cytoskeleton when cells adhere on substrates and nowadays well established cell models are based on such research activities. Actually, the natural cell environment is made of a complex extracellular matrix and the single cell behavior is due to intricate interactions with the environment and are strongly correlated to the cell-cell interactions. Our investigation is devoted to understand the inner cell mechanism when it is mechanically stressed by point-like stimulus without the substrate influence.

Advanced Visualization and Interactive Display Rapid Innovation and Discovery Evaluation Research (VISRIDER) Program Task 6: Point Cloud Visualization Techniques for Desktop and Web Platforms

DTIC Science & Technology

2017-04-01

ADVANCED VISUALIZATION AND INTERACTIVE DISPLAY RAPID INNOVATION AND DISCOVERY EVALUATION RESEARCH (VISRIDER) PROGRAM TASK 6: POINT CLOUD...To) OCT 2013 – SEP 2014 4. TITLE AND SUBTITLE ADVANCED VISUALIZATION AND INTERACTIVE DISPLAY RAPID INNOVATION AND DISCOVERY EVALUATION RESEARCH...various point cloud visualization techniques for viewing large scale LiDAR datasets. Evaluate their potential use for thick client desktop platforms

Relativistic spin-orbit interactions of photons and electrons

NASA Astrophysics Data System (ADS)

Smirnova, D. A.; Travin, V. M.; Bliokh, K. Y.; Nori, F.

2018-04-01

Laboratory optics, typically dealing with monochromatic light beams in a single reference frame, exhibits numerous spin-orbit interaction phenomena due to the coupling between the spin and orbital degrees of freedom of light. Similar phenomena appear for electrons and other spinning particles. Here we examine transformations of paraxial photon and relativistic-electron states carrying the spin and orbital angular momenta (AM) under the Lorentz boosts between different reference frames. We show that transverse boosts inevitably produce a rather nontrivial conversion from spin to orbital AM. The converted part is then separated between the intrinsic (vortex) and extrinsic (transverse shift or Hall effect) contributions. Although the spin, intrinsic-orbital, and extrinsic-orbital parts all point in different directions, such complex behavior is necessary for the proper Lorentz transformation of the total AM of the particle. Relativistic spin-orbit interactions can be important in scattering processes involving photons, electrons, and other relativistic spinning particles, as well as when studying light emitted by fast-moving bodies.

Leucine/Pd-loaded (5,5) single-walled carbon nanotube matrix as a novel nanobiosensors for in silico detection of protein.

PubMed

Yoosefian, Mehdi; Etminan, Nazanin

2018-06-01

We have designed a novel nanobiosensor for in silico detecting proteins based on leucine/Pd-loaded single-walled carbon nanotube matrix. Density functional theory at the B3LYP/6-31G (d) level of theory was realized to analyze the geometrical and electronic structure of the proposed nanobiosensor. The solvent effects were investigated using the Tomasi's polarized continuum model. Atoms-in-molecules theory was used to study the nature of interactions by calculating the electron density ρ(r) and Laplacian at the bond critical points. Natural bond orbital analysis was performed to achieve a deep understanding of the nature of the interactions. The biosensor has potential application for high sensitive and rapid response to protein due to the chemical adsorption of L-leucine amino acid onto Pd-loaded single-walled carbon nanotube and reactive functional groups that can incorporate in hydrogen binding, hydrophobic interactions and van der Waals forces with the protein surface in detection process.

Coevolving complex networks in the model of social interactions

NASA Astrophysics Data System (ADS)

Raducha, Tomasz; Gubiec, Tomasz

2017-04-01

We analyze Axelrod's model of social interactions on coevolving complex networks. We introduce four extensions with different mechanisms of edge rewiring. The models are intended to catch two kinds of interactions-preferential attachment, which can be observed in scientists or actors collaborations, and local rewiring, which can be observed in friendship formation in everyday relations. Numerical simulations show that proposed dynamics can lead to the power-law distribution of nodes' degree and high value of the clustering coefficient, while still retaining the small-world effect in three models. All models are characterized by two phase transitions of a different nature. In case of local rewiring we obtain order-disorder discontinuous phase transition even in the thermodynamic limit, while in case of long-distance switching discontinuity disappears in the thermodynamic limit, leaving one continuous phase transition. In addition, we discover a new and universal characteristic of the second transition point-an abrupt increase of the clustering coefficient, due to formation of many small complete subgraphs inside the network.

A water-responsive shape memory ionomer with permanent shape reconfiguration ability

NASA Astrophysics Data System (ADS)

Bai, Yongkang; Zhang, Jiwen; Tian, Ran; Chen, Xin

2018-04-01

In this work, a water-responsive shape memory ionomer with high toughness was fabricated by cross-linking hyaluronic acid sodium (HAS) and polyvinyl alcohol (PVA) through coordination interactions. The strong Fe3+-carboxyl (from HAS) coordination interactions served as main physical cross-linking points for the performance of water-responsive shape memory, which associated with the flexibility of PVA chain producing excellent mechanical properties of this ionomer. The optimized ionomer was not only able to recover to its original shape within just 22 s by exposing to water, but exhibited high tensile strength up to 35.4 MPa and 4 times higher tractility than the ionomer without PVA. Moreover, the ionomers can be repeatedly programed to various new permanent shapes on demand due to the reversible physical interactions, which still performed complete and fast geometric recovery under stimuli even after 4 cycles of reprograming with 3 different shapes. The excellent shape memory and strong mechanical behaviors make our ionomers significant and promising smart materials for variety of applications.

Ethical problems of interaction between ground-based personnel and orbital station crewmembers.

PubMed

Grigoriev, A I; Kozerenko, O P; Myasnikov, V I; Egorov, A D

1988-02-01

Manned missions onboard orbital stations Salyut-6 and Salyut-7 have led us to the conclusion that a long-term space mission can be viewed as a complex socio-man-machine system whose effectiveness largely depends on the quality of interaction between its subsystems. When analyzing and assessing the reliability of this system, it is important to consider ethical aspects, because they concern human relations, permeating its very component and in the long run determining its efficiency. Psychological and medical examinations before, during and after manned missions have helped us to identify the major points of interaction of the subsystems which require adequate monitoring and optimization using socio-psychological and organization-technical approaches: arrangement and evaluation of the quality of work, arrangement of proper leisure, psychological comfort in the interpersonality and intergroup relations during prolonged space missions. This paper also discusses adaptive changes in the mental and physical state due to prolonged exposure to space flight factors such as microgravity and confinement.

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical nonlinearity and charge transfer analysis of pyrene adsorbed on silver: Computational and experimental investigations

NASA Astrophysics Data System (ADS)

Reeta Felscia, U.; Rajkumar, Beulah J. M.; Sankar, Pranitha; Philip, Reji; Briget Mary, M.

2017-09-01

The interaction of pyrene on silver has been investigated using both experimental and computational methods. Hyperpolarizabilities computed theoretically together with experimental nonlinear absorption from open aperture Z-scan measurements, point towards a possible use of pyrene adsorbed on silver in the rational design of NLO devices. Presence of a red shift in both simulated and experimental UV-Vis spectra confirms the adsorption on silver, which is due to the electrostatic interaction between silver and pyrene, inducing variations in the structural parameters of pyrene. Fukui calculations along with MEP plot predict the electrophilic nature of the silver cluster in the presence of pyrene, with NBO analysis revealing that the adsorption causes charge redistribution from the first three rings of pyrene towards the fourth ring, from where the 2p orbitals of carbon interact with the valence 5s orbitals of the cluster. This is further confirmed by the downshifting of ring breathing modes in both the experimental and theoretical Raman spectra.

Network community-based model reduction for vortical flows

NASA Astrophysics Data System (ADS)

Gopalakrishnan Meena, Muralikrishnan; Nair, Aditya G.; Taira, Kunihiko

2018-06-01

A network community-based reduced-order model is developed to capture key interactions among coherent structures in high-dimensional unsteady vortical flows. The present approach is data-inspired and founded on network-theoretic techniques to identify important vortical communities that are comprised of vortical elements that share similar dynamical behavior. The overall interaction-based physics of the high-dimensional flow field is distilled into the vortical community centroids, considerably reducing the system dimension. Taking advantage of these vortical interactions, the proposed methodology is applied to formulate reduced-order models for the inter-community dynamics of vortical flows, and predict lift and drag forces on bodies in wake flows. We demonstrate the capabilities of these models by accurately capturing the macroscopic dynamics of a collection of discrete point vortices, and the complex unsteady aerodynamic forces on a circular cylinder and an airfoil with a Gurney flap. The present formulation is found to be robust against simulated experimental noise and turbulence due to its integrating nature of the system reduction.

Simulation of flexible appendage interactions with Mariner Venus/Mercury attitude control and science platform pointing

NASA Technical Reports Server (NTRS)

Fleischer, G. E.

1973-01-01

A new computer subroutine, which solves the attitude equations of motion for any vehicle idealized as a topological tree of hinge-connected rigid bodies, is used to simulate and analyze science instrument pointing control interaction with a flexible Mariner Venus/Mercury (MVM) spacecraft. The subroutine's user options include linearized or partially linearized hinge-connected models whose computational advantages are demonstrated for the MVM problem. Results of the pointing control/flexible vehicle interaction simulations, including imaging experiment pointing accuracy predictions and implications for MVM science sequence planning, are described in detail.

Non-Abelian monopole in the parameter space of point-like interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohya, Satoshi, E-mail: ohyasato@fjfi.cvut.cz

2014-12-15

We study non-Abelian geometric phase in N=2 supersymmetric quantum mechanics for a free particle on a circle with two point-like interactions at antipodal points. We show that non-Abelian Berry’s connection is that of SU(2) magnetic monopole discovered by Moody, Shapere and Wilczek in the context of adiabatic decoupling limit of diatomic molecule. - Highlights: • Supersymmetric quantum mechanics is an ideal playground for studying geometric phase. • We determine the parameter space of supersymmetric point-like interactions. • Berry’s connection is given by a Wu–Yang-like magnetic monopole in SU(2) Yang–Mills.

Exploring X-Ray Binary Populations in Compact Group Galaxies With Chandra

NASA Technical Reports Server (NTRS)

Tzanavaris, P.; Hornschemeier, A. E..; Gallagher, S. C.; Lenkic, L.; Desjardins, T. D.; Walker, L. M.; Johnson, K. E.; Mulchaey, J. S.

2016-01-01

We obtain total galaxy X-ray luminosities, LX, originating from individually detected point sources in a sample of 47 galaxies in 15 compact groups of galaxies (CGs). For the great majority of our galaxies, we find that the detected point sources most likely are local to their associated galaxy, and are thus extragalactic X-ray binaries (XRBs) or nuclear active galactic nuclei (AGNs). For spiral and irregular galaxies, we find that, after accounting for AGNs and nuclear sources, most CG galaxies are either within the +/-1s scatter of the Mineo et al. LX-star formation rate (SFR) correlation or have higher LX than predicted by this correlation for their SFR. We discuss how these "excesses" may be due to low metallicities and high interaction levels. For elliptical and S0 galaxies, after accounting for AGNs and nuclear sources, most CG galaxies are consistent with the Boroson et al. LX-stellar mass correlation for low-mass XRBs, with larger scatter, likely due to residual effects such as AGN activity or hot gas. Assuming non-nuclear sources are low- or high-mass XRBs, we use appropriate XRB luminosity functions to estimate the probability that stochastic effects can lead to such extreme LX values. We find that, although stochastic effects do not in general appear to be important, for some galaxies there is a significant probability that high LX values can be observed due to strong XRB variability.

Clinical utility of curcumin extract.

PubMed

Asher, Gary N; Spelman, Kevin

2013-01-01

Turmeric root has been used medicinally in China and India for thousands of years. The active components are thought to be the curcuminoids, primarily curcumin, which is commonly available worldwide as a standardized extract. This article reviews the pharmacology of curcuminoids, their use and efficacy, potential adverse effects, and dosage and standardization. Preclinical studies point to mechanisms of action that are predominantly anti-inflammatory and antineoplastic, while early human clinical trials suggest beneficial effects for dyspepsia, peptic ulcer, inflammatory bowel disease, rheumatoid arthritis, osteoarthritis, uveitis, orbital pseudotumor, and pancreatic cancer. Curcumin is well-tolerated; the most common side effects are nausea and diarrhea. Theoretical interactions exist due to purported effects on metabolic enzymes and transport proteins, but clinical reports do not support any meaningful interactions. Nonetheless, caution, especially with chemotherapy agents, is advised. Late-phase clinical trials are still needed to confirm most beneficial effects.

Nonlinear interaction of kinetic Alfven wave and whistler: Turbulent spectra and anisotropic scaling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar Dwivedi, Navin; Sharma, R. P.

2013-04-15

In this work, we are presenting the excitation of oblique propagating whistler wave as a consequence of nonlinear interaction between whistler wave and kinetic Alfven wave (KAW) in intermediate beta plasmas. Numerical simulation has been done to study the transient evolution of magnetic field structures of KAW when the nonlinearity arises due to ponderomotive effects by taking the adiabatic response of the background density. Weak oblique propagating whistler signals in these nonlinear plasma density filaments (produced by KAW localization) get amplified. The spectral indices of the power spectrum at different times are calculated with given initial conditions of the simulations.more » Anisotropic scaling laws for KAW and whistlers are presented. The relevance of the present investigation to solar wind turbulence and its acceleration is also pointed out.« less

Anomalous van der Waals-Casimir interactions on graphene: A concerted effect of temperature, retardation, and non-locality

NASA Astrophysics Data System (ADS)

Ambrosetti, Alberto; Silvestrelli, Pier Luigi

2018-04-01

Dispersion forces play a major role in graphene, largely influencing adhesion of adsorbate moieties and stabilization of functional multilayered structures. However, the reliable prediction of dispersion interactions on graphene up to the relevant ˜10 nm scale is an extremely challenging task: in fact, electromagnetic retardation effects and the highly non-local character of π electrons can imply sizeable qualitative variations of the interaction with respect to known pairwise approaches. Here we address both issues, determining the finite-temperature van der Waals (vdW)-Casimir interaction for point-like and extended adsorbates on graphene, explicitly accounting for the non-local dielectric permittivity. We find that temperature, retardation, and non-locality play a crucial role in determining the actual vdW scaling laws and the stability of both atomic and larger molecular adsorbates. Our results highlight the importance of these effects for a proper description of systems of current high interest, such as graphene interacting with biomolecules, and self-assembly of complex nanoscale structures. Due to the generality of our approach and the observed non-locality of other 2D materials, our results suggest non-trivial vdW interactions from hexagonal mono-layered materials from group 14 of the periodic table, to transition metal dichalcogenides.

Anomalous van der Waals-Casimir interactions on graphene: A concerted effect of temperature, retardation, and non-locality.

PubMed

Ambrosetti, Alberto; Silvestrelli, Pier Luigi

2018-04-07

Dispersion forces play a major role in graphene, largely influencing adhesion of adsorbate moieties and stabilization of functional multilayered structures. However, the reliable prediction of dispersion interactions on graphene up to the relevant ∼10 nm scale is an extremely challenging task: in fact, electromagnetic retardation effects and the highly non-local character of π electrons can imply sizeable qualitative variations of the interaction with respect to known pairwise approaches. Here we address both issues, determining the finite-temperature van der Waals (vdW)-Casimir interaction for point-like and extended adsorbates on graphene, explicitly accounting for the non-local dielectric permittivity. We find that temperature, retardation, and non-locality play a crucial role in determining the actual vdW scaling laws and the stability of both atomic and larger molecular adsorbates. Our results highlight the importance of these effects for a proper description of systems of current high interest, such as graphene interacting with biomolecules, and self-assembly of complex nanoscale structures. Due to the generality of our approach and the observed non-locality of other 2D materials, our results suggest non-trivial vdW interactions from hexagonal mono-layered materials from group 14 of the periodic table, to transition metal dichalcogenides.

Dynamics of Disagreement: Large-Scale Temporal Network Analysis Reveals Negative Interactions in Online Collaboration

NASA Astrophysics Data System (ADS)

Tsvetkova, Milena; García-Gavilanes, Ruth; Yasseri, Taha

2016-11-01

Disagreement and conflict are a fact of social life. However, negative interactions are rarely explicitly declared and recorded and this makes them hard for scientists to study. In an attempt to understand the structural and temporal features of negative interactions in the community, we use complex network methods to analyze patterns in the timing and configuration of reverts of article edits to Wikipedia. We investigate how often and how fast pairs of reverts occur compared to a null model in order to control for patterns that are natural to the content production or are due to the internal rules of Wikipedia. Our results suggest that Wikipedia editors systematically revert the same person, revert back their reverter, and come to defend a reverted editor. We further relate these interactions to the status of the involved editors. Even though the individual reverts might not necessarily be negative social interactions, our analysis points to the existence of certain patterns of negative social dynamics within the community of editors. Some of these patterns have not been previously explored and carry implications for the knowledge collection practice conducted on Wikipedia. Our method can be applied to other large-scale temporal collaboration networks to identify the existence of negative social interactions and other social processes.

First-principles investigation of quantum transport through an endohedral N@C60 in the Coulomb blockade regime.

PubMed

Yu, Zhizhou; Chen, Jian; Zhang, Lei; Wang, Jian

2013-12-11

We report an investigation of Coulomb blockade transport through an endohedral N@C60 weakly coupled with aluminum leads, employing the first-principles method combined with the Keldysh non-equilibrium Green's function derived from the equation of motion beyond the Hartree-Fock approximation. The differential conductance characteristics of the molecular device are calculated within the Coulomb blockade regime, which shows the Coulomb diamond as observed experimentally. When the gate voltage is less than that of the degeneracy point, there are two peaks in the differential conductance with an excited state induced by the change of the exchange interaction between the spin of C60 and the encapsulated nitrogen atom due to the transition from N@C(1-)(60) to N@C(2-)(60), while for a gate voltage larger than that of the degeneracy point, no excited state is available due to the quenching of exchange energy. As a result, there is only one Coulomb blockade peak in the differential conductance from the electron tunneling through the highest energy level below the Fermi level. Our first-principles results are in good agreement with experimental data obtained by an endohedral N@C60 molecular device.

An alternative resolution to the Mansuripur paradox

NASA Astrophysics Data System (ADS)

Redfern, Francis

2016-04-01

In 2013 an article published online by the journal Science declared that the paradox proposed by Masud Mansuripur was resolved. This paradox concerns a point charge-Amperian magnetic dipole system as seen in a frame of reference where they are at rest and one in which they are moving. In the latter frame an electric dipole appears on the magnetic dipole. A torque is then exerted upon the electric dipole by the point charge, a torque that is not observed in the at-rest frame. Mansuripur points out this violates the relativity principle and suggests the Lorentz force responsible for the torque be replaced by the Einstein-Laub force. The resolution of the paradox reported by Science, based on numerous papers in the physics literature, preserves the Lorentz force but depends on the concept of hidden momentum. Here I propose a different resolution based on the overlooked fact that the charge-magnetic dipole system contains linear and angular electromagnetic field momentum. The time rate of change of the field angular-momentum in the frame through which the system is moving cancels that due to the charge-electric dipole interaction. From this point of view hidden momentum is not needed in the resolution of the paradox.

Efficient and robust pupil size and blink estimation from near-field video sequences for human-machine interaction.

PubMed

Chen, Siyuan; Epps, Julien

2014-12-01

Monitoring pupil and blink dynamics has applications in cognitive load measurement during human-machine interaction. However, accurate, efficient, and robust pupil size and blink estimation pose significant challenges to the efficacy of real-time applications due to the variability of eye images, hence to date, require manual intervention for fine tuning of parameters. In this paper, a novel self-tuning threshold method, which is applicable to any infrared-illuminated eye images without a tuning parameter, is proposed for segmenting the pupil from the background images recorded by a low cost webcam placed near the eye. A convex hull and a dual-ellipse fitting method are also proposed to select pupil boundary points and to detect the eyelid occlusion state. Experimental results on a realistic video dataset show that the measurement accuracy using the proposed methods is higher than that of widely used manually tuned parameter methods or fixed parameter methods. Importantly, it demonstrates convenience and robustness for an accurate and fast estimate of eye activity in the presence of variations due to different users, task types, load, and environments. Cognitive load measurement in human-machine interaction can benefit from this computationally efficient implementation without requiring a threshold calibration beforehand. Thus, one can envisage a mini IR camera embedded in a lightweight glasses frame, like Google Glass, for convenient applications of real-time adaptive aiding and task management in the future.

Complex interactions between phytochemicals. The multi-target therapeutic concept of phytotherapy.

PubMed

Efferth, Thomas; Koch, Egon

2011-01-01

Drugs derived from natural resources represent a significant segment of the pharmaceutical market as compared to randomly synthesized compounds. It is a goal of drug development programs to design selective ligands that act on single disease targets to obtain highly effective and safe drugs with low side effects. Although this strategy was successful for many new therapies, there is a marked decline in the number of new drugs introduced into clinical practice over the past decades. One reason for this failure may be due to the fact that the pathogenesis of many diseases is rather multi-factorial in nature and not due to a single cause. Phytotherapy, whose therapeutic efficacy is based on the combined action of a mixture of constituents, offers new treatment opportunities. Because of their biological defence function, plant secondary metabolites act by targeting and disrupting the cell membrane, by binding and inhibiting specific proteins or they adhere to or intercalate into RNA or DNA. Phytotherapeutics may exhibit pharmacological effects by the synergistic or antagonistic interaction of many phytochemicals. Mechanistic reasons for interactions are bioavailability, interference with cellular transport processes, activation of pro-drugs or deactivation of active compounds to inactive metabolites, action of synergistic partners at different points of the same signalling cascade (multi-target effects) or inhibition of binding to target proteins. "-Omics" technologies and systems biology may facilitate unravelling synergistic effects of herbal mixtures.

Quantum phase transition in dimerised spin-1/2 chains

NASA Astrophysics Data System (ADS)

Das, Aparajita; Bhadra, Sreeparna; Saha, Sonali

2015-11-01

Quantum phase transition in dimerised antiferromagnetic Heisenberg spin chain has been studied. A staircase structure in the variation of concurrence within strongly coupled pairs with that of external magnetic field has been observed indicating multiple critical (or critical like) points. Emergence of entanglement due to external magnetic field or magnetic entanglement is observed for weakly coupled spin pairs too in the same dimer chain. Though closed dimerised isotropic XXX Heisenberg chains with different dimer strengths were mainly explored, analogous studies on open chains as well as closed anisotropic (XX interaction) chains with tilted external magnetic field have also been studied.

The generation of gravitational waves. 2: The post-linear formalism revisited

NASA Technical Reports Server (NTRS)

Crowley, R. J.; Thorne, K. S.

1975-01-01

Two different versions of the Green's function for the scalar wave equation in weakly curved spacetime (one due to DeWitt and DeWitt, the other to Thorne and Kovacs) are compared and contrasted; and their mathematical equivalence is demonstrated. The DeWitt-DeWitt Green's function is used to construct several alternative versions of the Thorne-Kovacs post-linear formalism for gravitational-wave generation. Finally it is shown that, in calculations of gravitational bremsstrahlung radiation, some of our versions of the post-linear formalism allow one to treat the interacting bodies as point masses, while others do not.

Reduction of nitrogen oxides (NOx) by superalkalis

NASA Astrophysics Data System (ADS)

Srivastava, Ambrish Kumar

2018-03-01

NOx are major air pollutants, having negative impact on environment and consequently, human health. We propose here the single-electron reduction of NOx (x = 1, 2) using superalkalis. We study the interaction of NOx with FLi2, OLi3 and NLi4 superalkalis using density functional and single-point CCSD(T) calculations, which lead to stable superalkali-NOx ionic complexes with negatively charged NOx. This clearly reveals that the NOx can successfully be reduced to NOx- anion due to electron transfer from superalkalis. It has been also noticed that the size of superalkalis plays a crucial in the single-electron reduction of NOx.

Quantitative Analysis Method of Output Loss due to Restriction for Grid-connected PV Systems

NASA Astrophysics Data System (ADS)

Ueda, Yuzuru; Oozeki, Takashi; Kurokawa, Kosuke; Itou, Takamitsu; Kitamura, Kiyoyuki; Miyamoto, Yusuke; Yokota, Masaharu; Sugihara, Hiroyuki

Voltage of power distribution line will be increased due to reverse power flow from grid-connected PV systems. In the case of high density grid connection, amount of voltage increasing will be higher than the stand-alone grid connection system. To prevent the over voltage of power distribution line, PV system's output will be restricted if the voltage of power distribution line is close to the upper limit of the control range. Because of this interaction, amount of output loss will be larger in high density case. This research developed a quantitative analysis method for PV systems output and losses to clarify the behavior of grid connected PV systems. All the measured data are classified into the loss factors using 1 minute average of 1 second data instead of typical 1 hour average. Operation point on the I-V curve is estimated to quantify the loss due to the output restriction using module temperature, array output voltage, array output current and solar irradiance. As a result, loss due to output restriction is successfully quantified and behavior of output restriction is clarified.

Prism adaptation by mental practice.

PubMed

Michel, Carine; Gaveau, Jérémie; Pozzo, Thierry; Papaxanthis, Charalambos

2013-09-01

The prediction of our actions and their interaction with the external environment is critical for sensorimotor adaptation. For instance, during prism exposure, which deviates laterally our visual field, we progressively correct movement errors by combining sensory feedback with forward model sensory predictions. However, very often we project our actions to the external environment without physically interacting with it (e.g., mental actions). An intriguing question is whether adaptation will occur if we imagine, instead of executing, an arm movement while wearing prisms. Here, we investigated prism adaptation during mental actions. In the first experiment, participants (n = 54) performed arm pointing movements before and after exposure to the optical device. They were equally divided into six groups according to prism exposure: Prisms-Active, Prisms-Imagery, Prisms-Stationary, Prisms-Stationary-Attention, No Conflict-Prisms-Imagery, No Prisms-Imagery. Adaptation, measured by the difference in pointing errors between pre-test and post-test, occurred only in Prisms-Active and Prisms-Imagery conditions. The second experiment confirmed the results of the first experiment and further showed that sensorimotor adaptation was mainly due to proprioceptive realignment in both Prisms-Active (n = 10) and Prisms-Imagery (n = 10) groups. In both experiments adaptation was greater following actual than imagined pointing movements. The present results are the first demonstration of prism adaptation by mental practice under prism exposure and they are discussed in terms of internal forward models and sensorimotor plasticity. Copyright © 2012 Elsevier Ltd. All rights reserved.

Metal plasmon-coupled fluorescence imaging and label free coenzyme detection in cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jian, E-mail: jian@cfs.bioment.umaryland.edu; Fu, Yi; Li, Ge

2012-08-31

Highlights: Black-Right-Pointing-Pointer Metal nanoparticle for fluorescence cell imaging. Black-Right-Pointing-Pointer Non-invasive emission detection of coenzyme in cell on time-resolved confocal microscope. Black-Right-Pointing-Pointer Near-field interaction of flavin adenine dinucleotide with silver substrate. Black-Right-Pointing-Pointer Isolation of emissions by coenzymes from cellular autofluorescence on fluorescence cell imaging. -- Abstract: Flavin adenine dinucleotide (FAD) is a key metabolite in cellular energy conversion. Flavin can also bind with some enzymes in the metabolic pathway and the binding sites may be changed due to the disease progression. Thus, there is interest on studying its expression level, distribution, and redox state within the cells. FAD is naturally fluorescent,more » but it has a modest extinction coefficient and quantum yield. Hence the intrinsic emission from FAD is generally too weak to be isolated distinctly from the cellular backgrounds in fluorescence cell imaging. In this article, the metal nanostructures on the glass coverslips were used as substrates to measure FAD in cells. Particulate silver films were fabricated with an optical resonance near the absorption and the emission wavelengths of FAD which can lead to efficient coupling interactions. As a result, the emission intensity and quantum yield by FAD were greatly increased and the lifetime was dramatically shortened resulting in less interference from the longer lived cellular background. This feature may overcome the technical limits that hinder the direct observation of intrinsically fluorescent coenzymes in the cells by fluorescence microscopy. Fluorescence cell imaging on the metallic particle substrates may provide a non-invasive strategy for collecting the information of coenzymes in cells.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dwivedi, Nidhi; Mehta, Ashish; Yadav, Abhishek

Arsenicosis, due to contaminated drinking water, is a serious health hazard in terms of morbidity and mortality. Arsenic induced free radicals generated are known to cause cellular apoptosis through mitochondrial driven pathway. In the present study, we investigated the effect of arsenic interactions with various complexes of the electron transport chain and attempted to evaluate if there was any complex preference of arsenic that could trigger apoptosis. We also evaluated if chelation with monoisoamyl dimercaptosuccinic acid (MiADMSA) could reverse these detrimental effects. Our results indicate that arsenic exposure induced free radical generation in rat neuronal cells, which diminished mitochondrial potentialmore » and enzyme activities of all the complexes of the electron transport chain. Moreover, these complexes showed differential responses towards arsenic. These early events along with diminished ATP levels could be co-related with the later events of cytosolic migration of cytochrome c, altered bax/bcl{sub 2} ratio, and increased caspase 3 activity. Although MiADMSA could reverse most of these arsenic-induced altered variables to various extents, DNA damage remained unaffected. Our study for the first time demonstrates the differential effect of arsenic on the complexes leading to deficits in bioenergetics leading to apoptosis in rat brain. However, more in depth studies are warranted for better understanding of arsenic interactions with the mitochondria. -- Research highlights: Black-Right-Pointing-Pointer Arsenic impairs mitochondrial energy metabolism leading to neuronal apoptosis. Black-Right-Pointing-Pointer Arsenic differentially affects mitochondrial complexes, I - III and IV being more sensitive than complex II. Black-Right-Pointing-Pointer Arsenic-induced apoptosis initiates through ROS generation or impaired [Ca{sup 2+}]i homeostasis. Black-Right-Pointing-Pointer MiADMSA reverses arsenic toxicity via intracellular arsenic- chelation, antioxidant potential or both.« less

Quantum phase transition modulation in an atomtronic Mott switch

NASA Astrophysics Data System (ADS)

McLain, Marie A.; Carr, Lincoln D.

2018-07-01

Mott insulators provide stable quantum states and long coherence times due to small number fluctuations, making them good candidates for quantum memory and atomic circuits. We propose a proof-of-principle for a 1D Mott switch using an ultracold Bose gas and optical lattice. With time-evolving block decimation simulations—efficient matrix product state methods—we design a means for transient parameter characterization via a local excitation for ease of engineering into more complex atomtronics. We perform the switch operation by tuning the intensity of the optical lattice, and thus the interaction strength through a conductance transition due to the confined modifications of the ‘wedding cake’ Mott structure. We demonstrate the time-dependence of Fock state transmission and fidelity of the excitation as a means of tuning up the device in a double well and as a measure of noise performance. Two-point correlations via the g (2) measure provide additional information regarding superfluid fragments on the Mott insulating background due to the confinement of the potential.

Quantum corrections to the gravitational potentials of a point source due to conformal fields in de Sitter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fröb, Markus B.; Verdaguer, Enric, E-mail: mfroeb@itp.uni-leipzig.de, E-mail: enric.verdaguer@ub.edu

We derive the leading quantum corrections to the gravitational potentials in a de Sitter background, due to the vacuum polarization from loops of conformal fields. Our results are valid for arbitrary conformal theories, even strongly interacting ones, and are expressed using the coefficients b and b' appearing in the trace anomaly. Apart from the de Sitter generalization of the known flat-space results, we find two additional contributions: one which depends on the finite coefficients of terms quadratic in the curvature appearing in the renormalized effective action, and one which grows logarithmically with physical distance. While the first contribution corresponds tomore » a rescaling of the effective mass, the second contribution leads to a faster fall-off of the Newton potential at large distances, and is potentially measurable.« less

Corneal and skin laser exposures from 1540-nm laser pulses

NASA Astrophysics Data System (ADS)

Johnson, Thomas E.; Mitchell, Michael A.; Rico, Pedro J.; Fletcher, David J.; Eurell, Thomas E.; Roach, William P.

2000-06-01

Mechanisms of tissue damage are investigated for skin and cornea exposures from 1540 nm ('eye safe') laser single pulses of 0.8 milli-seconds. New skin model data point out the advantages of using the Yucatan mini-pig versus the Yorkshire pig for in-vivo skin laser exposures. Major advantages found include similarities in thickness and melanin content when compared with human skin. Histology from Yucatan mini-pig skin exposures and the calculation of an initial ED50 threshold indicate that the main photon tissue interaction may not be solely due to water absorption. In-vitro corneal equivalents compared well with in-vivo rabbit cornea exposure under similar laser conditions. In-vivo and in-vitro histology show that initial energy deposition leading to damage occurs intrastromally, while epithelial cells show no direct injury due to laser light absorption.

Particle acceleration due to shocks in the interplanetary field: High time resolution data and simulation results

NASA Technical Reports Server (NTRS)

Kessel, R. L.; Armstrong, T. P.; Nuber, R.; Bandle, J.

1985-01-01

Data were examined from two experiments aboard the Explorer 50 (IMP 8) spacecraft. The Johns Hopkins University/Applied Lab Charged Particle Measurement Experiment (CPME) provides 10.12 second resolution ion and electron count rates as well as 5.5 minute or longer averages of the same, with data sampled in the ecliptic plane. The high time resolution of the data allows for an explicit, point by point, merging of the magnetic field and particle data and thus a close examination of the pre- and post-shock conditions and particle fluxes associated with large angle oblique shocks in the interplanetary field. A computer simulation has been developed wherein sample particle trajectories, taken from observed fluxes, are allowed to interact with a planar shock either forward or backward in time. One event, the 1974 Day 312 shock, is examined in detail.

Design of Three-Dimensional Hypersonic Inlets with Rectangular to Elliptical Shape Transition

NASA Technical Reports Server (NTRS)

Smart, M. K.

1998-01-01

A methodology has been devised for the design of three-dimensional hypersonic inlets which include a rectangular to elliptical shape transition. This methodology makes extensive use of inviscid streamtracing techniques to generate a smooth shape transition from a rectangular-like capture to an elliptical throat. Highly swept leading edges and a significantly notched cowl enable use of these inlets in fixed geometry configurations. The design procedure includes a three dimensional displacement thickness calculation and uses established correlations to check for boundary layer separation due to shock wave interactions. Complete details of the design procedure are presented and the characteristics of a modular inlet with rectangular to elliptical shape transition and a design point of Mach 7.1 are examined. Comparison with a classical two-dimensional inlet optimized for maximum total pressure recovery indicates that this three-dimensional inlet demonstrates good performance even well below its design point.

Tuning charge and correlation effects for a single molecule on a graphene device

DOE PAGES

Wickenburg, Sebastian; Lu, Jiong; Lischner, Johannes; ...

2016-11-25

The ability to understand and control the electronic properties of individual molecules in a device environment is crucial for developing future technologies at the nanometre scale and below. Achieving this, however, requires the creation of three-terminal devices that allow single molecules to be both gated and imaged at the atomic scale. We have accomplished this by integrating a graphene field effect transistor with a scanning tunnelling microscope, thus allowing gate-controlled charging and spectroscopic interrogation of individual tetrafluoro-tetracyanoquinodimethane molecules. We observe a non-rigid shift in the molecule’s lowest unoccupied molecular orbital energy (relative to the Dirac point) as a function ofmore » gate voltage due to graphene polarization effects. Our results show that electron–electron interactions play an important role in how molecular energy levels align to the graphene Dirac point, and may significantly influence charge transport through individual molecules incorporated in graphene-based nanodevices.« less

Surface Chirality of Gly-Pro Dipeptide Adsorbed on a Cu(110) Surface.

PubMed

Cruguel, Hervé; Méthivier, Christophe; Pradier, Claire-Marie; Humblot, Vincent

2015-07-01

The adsorption of chiral Gly-Pro dipeptide on Cu(110) has been characterized by combining in situ polarization modulation infrared reflection absorption spectroscopy (PM-RAIRS) and X-ray photoelectron spectroscopy (XPS). The chemical state of the dipeptide, and its anchoring points and adsorption geometry, were determined at various coverage values. Gly-Pro molecules are present on Cu(110) in their anionic form (NH2 /COO(-)) and adsorb under a 3-point binding via both oxygen atoms of the carboxylate group and via the nitrogen atom of the amine group. Low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) have shown the presence of an extended 2D chiral array, sustained via intermolecular H-bonds interactions. Furthermore, due to the particular shape of the molecule, only one homochiral domain is formed, creating thus a truly chiral surface. © 2015 Wiley Periodicals, Inc.

Active vibration suppression of helicopter horizontal stabilizers

NASA Astrophysics Data System (ADS)

Cinquemani, Simone; Cazzulani, Gabriele; Resta, Ferruccio

2017-04-01

Helicopters are among the most complex machines ever made. While ensuring high performance from the aeronautical point of view, they are not very comfortable due to vibration mainly created by the main rotor and by the interaction with the surrounding air. One of the most solicited structural elements of the vehicle are the horizontal stabilizers. These elements are particularly stressed because of their composite structure which, while guaranteeing lightness and strength, is characterized by a low damping. This work makes a preliminary analysis on the dynamics of the structure and proposes different solutions to actively suppress vibrations. Among them, the best in terms of the relationship between performance and weight / complexity of the system is that based on inertial actuators mounted on the inside of the horizontal stabilizers. The work addresses the issue of the design of the device and its use in the stabilizer from both the numerical and the experimental points of view.

Implementation and validation of a wake model for vortex-surface interactions in low speed forward flight

NASA Technical Reports Server (NTRS)

Komerath, Narayanan M.; Schreiber, Olivier A.

1987-01-01

The wake model was implemented using a VAX 750 and a Microvax II workstation. Online graphics capability using a DISSPLA graphics package. The rotor model used by Beddoes was significantly extended to include azimuthal variations due to forward flight and a simplified scheme for locating critical points where vortex elements are placed. A test case was obtained for validation of the predictions of induced velocity. Comparison of the results indicates that the code requires some more features before satisfactory predictions can be made over the whole rotor disk. Specifically, shed vorticity due to the azimuthal variation of blade loading must be incorporated into the model. Interactions between vortices shed from the four blades of the model rotor must be included. The Scully code for calculating the velocity field is being modified in parallel with these efforts to enable comparison with experimental data. To date, some comparisons with flow visualization data obtained at Georgia Tech were performed and show good agreement for the isolated rotor case. Comparison of time-resolved velocity data obtained at Georgia Tech also shows good agreement. Modifications are being implemented to enable generation of time-averaged results for comparison with NASA data.

Complex Interaction Mechanisms between Dislocations and Point Defects Studied in Pure Aluminium by a Two-Wave Acoustic Coupling Technique

NASA Astrophysics Data System (ADS)

Bremnes, O.; Progin, O.; Gremaud, G.; Benoit, W.

1997-04-01

Ultrasonic experiments using a two-wave coupling technique were performed on 99.999% pure Al in order to study the interaction mechanisms occurring between dislocations and point defects. The coupling technique consists in measuring the attenuation of ultrasonic waves during low-frequency stress cycles (t). One obtains closed curves () called signatures whose shape and evolution are characteristic of the interaction mechanism controlling the low-frequency dislocation motion. The signatures observed were attributed to the interaction of the dislocations with extrinsic point defects. A new interpretation of the evolution of the signatures measured below 200 K with respect to temperature and stress frequency had to be established: they are linked to depinning of immobile point defects, whereas a thermally activated depinning mechanism does not fit the observations. The signatures measured between 200 and 370 K were interpreted as dragging and depinning of extrinsic point defects which are increasingly mobile with temperature.

An Algorithm for the Reconstruction of Neutrino-induced Showers in the ANTARES Neutrino Telescope

NASA Astrophysics Data System (ADS)

Albert, A.; André, M.; Anghinolfi, M.; Anton, G.; Ardid, M.; Aubert, J.-J.; Avgitas, T.; Baret, B.; Barrios-Martí, J.; Basa, S.; Belhorma, B.; Bertin, V.; Biagi, S.; Bormuth, R.; Bourret, S.; Bouwhuis, M. C.; Brânzaş, H.; Bruijn, R.; Brunner, J.; Busto, J.; Capone, A.; Caramete, L.; Carr, J.; Celli, S.; Cherkaoui El Moursli, R.; Chiarusi, T.; Circella, M.; Coelho, J. A. B.; Coleiro, A.; Coniglione, R.; Costantini, H.; Coyle, P.; Creusot, A.; Díaz, A. F.; Deschamps, A.; De Bonis, G.; Distefano, C.; Di Palma, I.; Domi, A.; Donzaud, C.; Dornic, D.; Drouhin, D.; Eberl, T.; El Bojaddaini, I.; El Khayati, N.; Elsässer, D.; Enzenhöfer, A.; Ettahiri, A.; Fassi, F.; Felis, I.; Fusco, L. A.; Gay, P.; Giordano, V.; Glotin, H.; Grégoire, T.; Ruiz, R. Gracia; Graf, K.; Hallmann, S.; van Haren, H.; Heijboer, A. J.; Hello, Y.; Hernández-Rey, J. J.; Hößl, J.; Hofestädt, J.; Hugon, C.; Illuminati, G.; James, C. W.; de Jong, M.; Jongen, M.; Kadler, M.; Kalekin, O.; Katz, U.; Kießling, D.; Kouchner, A.; Kreter, M.; Kreykenbohm, I.; Kulikovskiy, V.; Lachaud, C.; Lahmann, R.; Lefèvre, D.; Leonora, E.; Lotze, M.; Loucatos, S.; Marcelin, M.; Margiotta, A.; Marinelli, A.; Martínez-Mora, J. A.; Mele, R.; Melis, K.; Michael, T.; Migliozzi, P.; Moussa, A.; Navas, S.; Nezri, E.; Organokov, M.; Păvălaş, G. E.; Pellegrino, C.; Perrina, C.; Piattelli, P.; Popa, V.; Pradier, T.; Quinn, L.; Racca, C.; Riccobene, G.; Sánchez-Losa, A.; Saldaña, M.; Salvadori, I.; Samtleben, D. F. E.; Sanguineti, M.; Sapienza, P.; Schüssler, F.; Sieger, C.; Spurio, M.; Stolarczyk, Th.; Taiuti, M.; Tayalati, Y.; Trovato, A.; Turpin, D.; Tönnis, C.; Vallage, B.; Van Elewyck, V.; Versari, F.; Vivolo, D.; Vizzoca, A.; Wilms, J.; Zornoza, J. D.; Zúñiga, J.

2017-12-01

Muons created by {ν }μ charged current (CC) interactions in the water surrounding the ANTARES neutrino telescope have been almost exclusively used so far in searches for cosmic neutrino sources. Due to their long range, highly energetic muons inducing Cherenkov radiation in the water are reconstructed with dedicated algorithms that allow for the determination of the parent neutrino direction with a median angular resolution of about 0.°4 for an {E}-2 neutrino spectrum. In this paper, an algorithm optimized for accurate reconstruction of energy and direction of shower events in the ANTARES detector is presented. Hadronic showers of electrically charged particles are produced by the disintegration of the nucleus both in CC and neutral current interactions of neutrinos in water. In addition, electromagnetic showers result from the CC interactions of electron neutrinos while the decay of a tau lepton produced in {ν }τ CC interactions will, in most cases, lead to either a hadronic or an electromagnetic shower. A shower can be approximated as a point source of photons. With the presented method, the shower position is reconstructed with a precision of about 1 m; the neutrino direction is reconstructed with a median angular resolution between 2° and 3° in the energy range of 1-1000 TeV. In this energy interval, the uncertainty on the reconstructed neutrino energy is about 5%-10%. The increase in the detector sensitivity due to the use of additional information from shower events in the searches for a cosmic neutrino flux is also presented.

Quantifying the errors due to the superposition of analytical deformation sources

NASA Astrophysics Data System (ADS)

Neuberg, J. W.; Pascal, K.

2012-04-01

The displacement field due to magma movement in the subsurface is often modelled using a Mogi point source or a dislocation Okada source embedded in a homogeneous elastic half-space. When the magmatic system cannot be modelled by a single source it is often represented by several sources, their respective deformation fields are superimposed. However, in such a case the assumption of homogeneity in the half-space is violated and the interaction between sources in an elastic medium is neglected. In this investigation we have quantified the effects of neglecting the interaction between sources on the surface deformation field. To do so, we calculated the vertical and horizontal displacements for models with adjacent sources and we tested them against the solutions of corresponding numerical 3D finite element models. We implemented several models combining spherical pressure sources and dislocation sources, varying the pressure or dislocation of the sources and their relative position. We also investigated three numerical methods to model a dike as a dislocation tensile source or as a pressurized tabular crack. We found that the discrepancies between simple superposition of the displacement field and a fully interacting numerical solution depend mostly on the source types and on their spacing. The errors induced when neglecting the source interaction are expected to vary greatly with the physical and geometrical parameters of the model. We demonstrated that for certain scenarios these discrepancies can be neglected (<5%) when the sources are separated by at least 4 radii for two combined Mogi sources and by at least 3 radii for juxtaposed Mogi and Okada sources

Virus removal in ceramic depth filters based on diatomaceous earth.

PubMed

Michen, Benjamin; Meder, Fabian; Rust, Annette; Fritsch, Johannes; Aneziris, Christos; Graule, Thomas

2012-01-17

Ceramic filter candles, based on the natural material diatomaceous earth, are widely used to purify water at the point-of-use. Although such depth filters are known to improve drinking water quality by removing human pathogenic protozoa and bacteria, their removal regarding viruses has rarely been investigated. These filters have relatively large pore diameters compared to the physical dimension of viruses. However, viruses may be retained by adsorption mechanisms due to intermolecular and surface forces. Here, we use three types of bacteriophages to investigate their removal during filtration and batch experiments conducted at different pH values and ionic strengths. Theoretical models based on DLVO-theory are applied in order to verify experimental results and assess surface forces involved in the adsorptive process. This was done by calculation of interaction energies between the filter surface and the viruses. For two small spherically shaped viruses (MS2 and PhiX174), these filters showed no significant removal. In the case of phage PhiX174, where attractive interactions were expected, due to electrostatic attraction of oppositely charged surfaces, only little adsorption was reported in the presence of divalent ions. Thus, we postulate the existence of an additional repulsive force between PhiX174 and the filter surface. It is hypothesized that such an additional energy barrier originates from either the phage's specific knobs that protrude from the viral capsid, enabling steric interactions, or hydration forces between the two hydrophilic interfaces of virus and filter. However, a larger-sized, tailed bacteriophage of the family Siphoviridae was removed by log 2 to 3, which is explained by postulating hydrophobic interactions.

Gene-Based Testing of Interactions in Association Studies of Quantitative Traits

PubMed Central

Ma, Li; Clark, Andrew G.; Keinan, Alon

2013-01-01

Various methods have been developed for identifying gene–gene interactions in genome-wide association studies (GWAS). However, most methods focus on individual markers as the testing unit, and the large number of such tests drastically erodes statistical power. In this study, we propose novel interaction tests of quantitative traits that are gene-based and that confer advantage in both statistical power and biological interpretation. The framework of gene-based gene–gene interaction (GGG) tests combine marker-based interaction tests between all pairs of markers in two genes to produce a gene-level test for interaction between the two. The tests are based on an analytical formula we derive for the correlation between marker-based interaction tests due to linkage disequilibrium. We propose four GGG tests that extend the following P value combining methods: minimum P value, extended Simes procedure, truncated tail strength, and truncated P value product. Extensive simulations point to correct type I error rates of all tests and show that the two truncated tests are more powerful than the other tests in cases of markers involved in the underlying interaction not being directly genotyped and in cases of multiple underlying interactions. We applied our tests to pairs of genes that exhibit a protein–protein interaction to test for gene-level interactions underlying lipid levels using genotype data from the Atherosclerosis Risk in Communities study. We identified five novel interactions that are not evident from marker-based interaction testing and successfully replicated one of these interactions, between SMAD3 and NEDD9, in an independent sample from the Multi-Ethnic Study of Atherosclerosis. We conclude that our GGG tests show improved power to identify gene-level interactions in existing, as well as emerging, association studies. PMID:23468652

Exfoliating and Dispersing Few-Layered Graphene in Low-Boiling-Point Organic Solvents towards Solution-Processed Optoelectronic Device Applications.

PubMed

Zhang, Lu; Miao, Zhongshuo; Hao, Zhen; Liu, Jun

2016-05-06

With normal organic surfactants, graphene can only be dispersed in water and cannot be dispersed in low-boiling-point organic solvents, which hampers its application in solution-processed organic optoelectronic devices. Herein, we report the exfoliation of graphite into graphene in low-boiling-point organic solvents, for example, methanol and acetone, by using edge-carboxylated graphene quantum dots (ECGQD) as the surfactant. The great capability of ECGQD for graphene dispersion is due to its ultralarge π-conjugated unit that allows tight adhesion on the graphene surface through strong π-π interactions, its edge-carboxylated structure that diminishes the steric effects of the oxygen-containing functional groups on the basal plane of ECGQD, and its abundance of carboxylic acid groups for solubility. The graphene dispersion in methanol enables the application of graphene:ECGQD as a cathode interlayer in polymer solar cells (PSCs). Moreover, the PSC device performance of graphene:ECGQD is better than that of Ca, the state-of-the-art cathode interlayer material. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nematic order on the surface of a three-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Lundgren, Rex; Yerzhakov, Hennadii; Maciejko, Joseph

2017-12-01

We study the spontaneous breaking of rotational symmetry in the helical surface state of three-dimensional topological insulators due to strong electron-electron interactions, focusing on time-reversal invariant nematic order. Owing to the strongly spin-orbit coupled nature of the surface state, the nematic order parameter is linear in the electron momentum and necessarily involves the electron spin, in contrast with spin-degenerate nematic Fermi liquids. For a chemical potential at the Dirac point (zero doping), we find a first-order phase transition at zero temperature between isotropic and nematic Dirac semimetals. This extends to a thermal phase transition that changes from first to second order at a finite-temperature tricritical point. At finite doping, we find a transition between isotropic and nematic helical Fermi liquids that is second order even at zero temperature. Focusing on finite doping, we discuss various observable consequences of nematic order, such as anisotropies in transport and the spin susceptibility, the partial breakdown of spin-momentum locking, collective modes and induced spin fluctuations, and non-Fermi-liquid behavior at the quantum critical point and in the nematic phase.

Global chaotization of fluid particle trajectories in a sheared two-layer two-vortex flow.

PubMed

Ryzhov, Evgeny A; Koshel, Konstantin V

2015-10-01

In a two-layer quasi-geostrophic approximation, we study the irregular dynamics of fluid particles arising due to two interacting point vortices embedded in a deformation flow consisting of shear and rotational components. The two vortices are arranged within the bottom layer, but an emphasis is on the upper-layer fluid particle motion. Vortices moving in one layer induce stirring of passive scalars in the other layer. This is of interest since point vortices induce singular velocity fields in the layer they belong to; however, in the other layer, they induce regular velocity fields that generally result in a change in passive particle stirring. If the vortices are located at stagnation points, there are three different types of the fluid flow. We examine how properties of each flow configuration are modified if the vortices are displaced from the stagnation points and thus circulate in the immediate vicinity of these points. To that end, an analysis of the steady-state configurations is presented with an emphasis on the frequencies of fluid particle oscillations about the elliptic stagnation points. Asymptotic relations for the vortex and fluid particle zero-oscillation frequencies are derived in the vicinity of the corresponding elliptic points. By comparing the frequencies of fluid particles with the ones of the vortices, relations between the parameters that lead to enhanced stirring of fluid particles are established. It is also demonstrated that, if the central critical point is elliptic, then the fluid particle trajectories in its immediate vicinity are mostly stable making it harder for the vortex perturbation to induce stirring. Change in the type of the central point to a hyperbolic one enhances drastically the size of the chaotic dynamics region. Conditions on the type of the central critical point also ensue from the derived asymptotic relations.

Observation of redshifting and harmonic radiation in inverse Compton scattering

DOE PAGES

Sakai, Y.; Pogorelsky, I.; Williams, O.; ...

2015-06-17

Inverse Compton scattering of laser photons by ultrarelativistic electron beam provides polarized x- to γ-ray pulses due to the Doppler blueshifting. Nonlinear electrodynamics in the relativistically intense linearly polarized laser field changes the radiation kinetics established during the Compton interaction. These are due to the induced figure-8 motion, which introduces an overall redshift in the radiation spectrum, with the concomitant emission of higher order harmonics. To experimentally analyze the strong field physics associated with the nonlinear electron-laser interaction, clear modifications to the angular and wavelength distributions of x rays are observed. The relativistic photon wave field is provided by themore » ps CO 2 laser of peak normalized vector potential of 0.5L<0.7, which due to the quadratic dependence of the strength of nonlinear phenomena on aL permits sufficient effects not observed in past 2 nd harmonic study with a L ≈ 0.3 laser [M. Babzien et al., Phys. Rev. Lett. 96, 054802 (2006)]. The angular spectral characteristics are revealed using K-, L-edge, and high energy attenuation filters. The observation indicates existence of the electrons’ longitudinal motion through frequency redshifting understood as the mass shift effect. The 3 rd harmonic radiation has been observed containing on-axis x-ray component that is directly associated with the induced figure-8 motion. These are further supported by an initial evidence of off-axis 2 nd harmonic radiation produced in a circularly polarized laser wave field. Total x-ray photon number per pulse, scattered by 65 MeV electron beam of 0.3 nC, at the interaction point is measured to be approximately 10 9.« less

Thermally promoted evolution of open-volume defects and Cu precipitates in the deformed FeCu alloys

NASA Astrophysics Data System (ADS)

Jin, Shuoxue; Cao, Xingzhong; Cheng, Guodong; Lian, Xiangyu; Zhu, Te; Zhang, Peng; Yu, Runsheng; Wang, Baoyi

2018-04-01

We have studied the effect of isothermal annealing on the evolution of the open-volume defect and the Cu precipitate in deformed Fe0.15Cu, Fe0.3Cu and Fe0.6Cu alloys. Using the coincidence Doppler broadening, positron annihilation lifetime and the S-W couples, the evolution of local electronic circumstance around the annihilation sites, open-volume defects and interaction between open-volume defects and Cu precipitates were measured as a function of the isothermal annealing temperatures. Cold rolling deformation induced an obvious increment in S parameters due to the formation of open-volume defects. Annealing not only resulted in gradual recovery of open-volume defects and Cu thermal precipitation, but also promoted the combination and interaction between defects and Cu precipitates. The interaction between open-volume defects and Cu precipitates was revealed clearly by the view point of S-W relationship. The S-W interaction for the different CumVn complexes was also calculated theoretically by MIKA-Doppler, which supports our experimental observations qualitatively. The results indicate that open-volume defects were formed first after cold rolling, followed by the Cu precipitation and recovery of open-volume defects, Cu precipitates recovered at the end. It is interesting that the trajectory of (S, W) points with increasing annealing temperature formed a similar closed "Parallelogram" shape. It is benefit for revealing the behavior of Cu thermal precipitation and their evolution in various Cu-bearing steels under thermal treatment. In addition, we also investigated the Cu content effect on the Cu precipitation in FeCu alloys, and the Cu precipitate phenomenon was enhanced in higher Cu content alloys.

Quantum mechanical force field for water with explicit electronic polarization.

PubMed

Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

2013-08-07

A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across biological ion channels through membranes.

Skew information in the XY model with staggered Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Qiu, Liang; Quan, Dongxiao; Pan, Fei; Liu, Zhi

2017-06-01

We study the performance of the lower bound of skew information in the vicinity of transition point for the anisotropic spin-1/2 XY chain with staggered Dzyaloshinskii-Moriya interaction by use of quantum renormalization-group method. For a fixed value of the Dzyaloshinskii-Moriya interaction, there are two saturated values for the lower bound of skew information corresponding to the spin-fluid and Néel phases, respectively. The scaling exponent of the lower bound of skew information closely relates to the correlation length of the model and the Dzyaloshinskii-Moriya interaction shifts the factorization point. Our results show that the lower bound of skew information can be a good candidate to detect the critical point of XY spin chain with staggered Dzyaloshinskii-Moriya interaction.

Nonminimal hints for asymptotic safety

NASA Astrophysics Data System (ADS)

Eichhorn, Astrid; Lippoldt, Stefan; Skrinjar, Vedran

2018-01-01

In the asymptotic-safety scenario for gravity, nonzero interactions are present in the ultraviolet. This property should also percolate into the matter sector. Symmetry-based arguments suggest that nonminimal derivative interactions of scalars with curvature tensors should therefore be present in the ultraviolet regime. We perform a nonminimal test of the viability of the asymptotic-safety scenario by working in a truncation of the renormalization group flow, where we discover the existence of an interacting fixed point for a corresponding nonminimal coupling. The back-coupling of such nonminimal interactions could in turn destroy the asymptotically safe fixed point in the gravity sector. As a key finding, we observe nontrivial indications of stability of the fixed-point properties under the impact of nonminimal derivative interactions, further strengthening the case for asymptotic safety in gravity-matter systems.

Is Infant Initiation of Joint Attention by Pointing Affected by Type of Interaction?

ERIC Educational Resources Information Center

Franco, Fabia; Perucchini, Paola; March, Barbara

2009-01-01

This article reports the results of two experiments studying the effects of type of interaction on infant production of declarative pointing. In Experiment 1, intensity of social presence was manipulated in adult-infant interaction with 12-19-month-olds (no social presence; adult responding only; adult also initiating joint attentional bids).…

Lieb-Thirring inequality for a model of particles with point interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frank, Rupert L.; Seiringer, Robert

2012-09-15

We consider a model of quantum-mechanical particles interacting via point interactions of infinite scattering length. In the case of fermions we prove a Lieb-Thirring inequality for the energy, i.e., we show that the energy is bounded from below by a constant times the integral of the particle density to the power (5/3).

Confidence intervals for distinguishing ordinal and disordinal interactions in multiple regression.

PubMed

Lee, Sunbok; Lei, Man-Kit; Brody, Gene H

2015-06-01

Distinguishing between ordinal and disordinal interaction in multiple regression is useful in testing many interesting theoretical hypotheses. Because the distinction is made based on the location of a crossover point of 2 simple regression lines, confidence intervals of the crossover point can be used to distinguish ordinal and disordinal interactions. This study examined 2 factors that need to be considered in constructing confidence intervals of the crossover point: (a) the assumption about the sampling distribution of the crossover point, and (b) the possibility of abnormally wide confidence intervals for the crossover point. A Monte Carlo simulation study was conducted to compare 6 different methods for constructing confidence intervals of the crossover point in terms of the coverage rate, the proportion of true values that fall to the left or right of the confidence intervals, and the average width of the confidence intervals. The methods include the reparameterization, delta, Fieller, basic bootstrap, percentile bootstrap, and bias-corrected accelerated bootstrap methods. The results of our Monte Carlo simulation study suggest that statistical inference using confidence intervals to distinguish ordinal and disordinal interaction requires sample sizes more than 500 to be able to provide sufficiently narrow confidence intervals to identify the location of the crossover point. (c) 2015 APA, all rights reserved).

Natural Environment Illumination: Coherent Interactive Augmented Reality for Mobile and Non-Mobile Devices.

PubMed

Rohmer, Kai; Jendersie, Johannes; Grosch, Thorsten

2017-11-01

Augmented Reality offers many applications today, especially on mobile devices. Due to the lack of mobile hardware for illumination measurements, photorealistic rendering with consistent appearance of virtual objects is still an area of active research. In this paper, we present a full two-stage pipeline for environment acquisition and augmentation of live camera images using a mobile device with a depth sensor. We show how to directly work on a recorded 3D point cloud of the real environment containing high dynamic range color values. For unknown and automatically changing camera settings, a color compensation method is introduced. Based on this, we show photorealistic augmentations using variants of differential light simulation techniques. The presented methods are tailored for mobile devices and run at interactive frame rates. However, our methods are scalable to trade performance for quality and can produce quality renderings on desktop hardware.

Accurate image-charge method by the use of the residue theorem for core-shell dielectric sphere

NASA Astrophysics Data System (ADS)

Fu, Jing; Xu, Zhenli

2018-02-01

An accurate image-charge method (ICM) is developed for ionic interactions outside a core-shell structured dielectric sphere. Core-shell particles have wide applications for which the theoretical investigation requires efficient methods for the Green's function used to calculate pairwise interactions of ions. The ICM is based on an inverse Mellin transform from the coefficients of spherical harmonic series of the Green's function such that the polarization charge due to dielectric boundaries is represented by a series of image point charges and an image line charge. The residue theorem is used to accurately calculate the density of the line charge. Numerical results show that the ICM is promising in fast evaluation of the Green's function, and thus it is useful for theoretical investigations of core-shell particles. This routine can also be applicable for solving other problems with spherical dielectric interfaces such as multilayered media and Debye-Hückel equations.

Social phobia as a comorbid condition in sex offenders with paraphilia or impulse control disorder.

PubMed

Hoyer, J; Kunst, H; Schmidt, A

2001-07-01

Studies on the prevalence of social anxiety in sex offenders show mixed results. This may be due to social anxiety being heightened only in diagnostic subgroups of sex offenders, namely in paraphiliacs. In study 1, 72 mentally disordered sexual delinquents and 30 controls were screened for social anxiety with the Social Interaction Anxiety Scale and the Social Phobia Scale by Mattick and Clarke (German versions). In study 2, 55 mentally disordered sexual delinquents were diagnosed with a structured clinical interview. In both studies, sex offenders were categorized as either paraphilic or impulse control disordered (without paraphilia) according to research criteria. Study 1 showed markedly heightened scores for social anxiety in paraphiliacs, particularly for social interaction anxiety. Study 2 found a high lifetime and point prevalence of social phobia in paraphiliacs for which corroborating evidence was again found in questionnaire results. Implications for further research, diagnostic procedures, and therapy are discussed.

In situ imaging and proteome profiling indicate andrographolide is a highly promiscuous compound

NASA Astrophysics Data System (ADS)

Li, Lin; Wijaya, Hadhi; Samanta, Sanjay; Lam, Yulin; Yao, Shao Q.

2015-06-01

Natural products represent an enormous source of pharmacologically useful compounds, and are often used as the starting point in modern drug discovery. Many biologically interesting natural products are however not being pursued as potential drug candidates, partly due to a lack of well-defined mechanism-of-action. Traditional in vitro methods for target identification of natural products based on affinity protein enrichment from crude cellular lysates cannot faithfully recapitulate protein-drug interactions in living cells. Reported herein are dual-purpose probes inspired by the natural product andrographolide, capable of both reaction-based, real-time bioimaging and in situ proteome profiling/target identification in live mammalian cells. Our results confirm that andrographolide is a highly promiscuous compound and engaged in covalent interactions with numerous previously unknown cellular targets in cell type-specific manner. We caution its potential therapeutic effects should be further investigated in detail.

On random pressure pulses in the turbine draft tube

NASA Astrophysics Data System (ADS)

Kuibin, P. A.; Shtork, S. I.; Skripkin, S. G.; Tsoy, M. A.

2017-04-01

The flow in the conical part of the hydroturbine draft tube undergoes various instabilities due to deceleration and flow swirling at off-design operation points. In particular, the precessing vortex rope develops at part-load regimes in the draft tube. This rope induces periodical low-frequency pressure oscillations in the draft tube. Interaction of rotational (asynchronous) mode of disturbances with the elbow can bring to strong oscillations in the whole hydrodynamical system. Recent researches on flow structure in the discharge cone in a regime of free runner had revealed that helical-like vortex rope can be unstable itself. Some coils of helix close to each other and reconnection appears with generation of a vortex ring. The vortex ring moves toward the draft tube wall and downstream. The present research is focused on interaction of vortex ring with wall and generation of pressure pulses.

Competition between anisotropic viscous fingers

NASA Astrophysics Data System (ADS)

Pecelerowicz, M.; Budek, A.; Szymczak, P.

2014-09-01

We consider viscous fingers created by injection of low viscosity fluid into the network of capillaries initially filled with a more viscous fluid (motor oil). Due to the anisotropy of the system and its geometry, such a setup promotes the formation of long-and-thin fingers which then grow and compete for the available flow, interacting through the pressure field. The interaction between the fingers is analyzed using the branched growth formalism of Halsey and Leibig (Phys. Rev. A 46, 7723, 1992) using a number of simple, analytically tractable models. It is shown that as soon as the fingers are allowed to capture the flow from one another, the fixed point appears in the phase space, corresponding to the asymptotic state in which the growth of one of the fingers in hindered by the other. The properties of phase space flows in such systems are shown to be remarkably insensitive to the details of the dynamics.

A Knowledge-Based System for the Computer Assisted Diagnosis of Endoscopic Images

NASA Astrophysics Data System (ADS)

Kage, Andreas; Münzenmayer, Christian; Wittenberg, Thomas

Due to the actual demographic development the use of Computer-Assisted Diagnosis (CAD) systems becomes a more important part of clinical workflows and clinical decision making. Because changes on the mucosa of the esophagus can indicate the first stage of cancerous developments, there is a large interest to detect and correctly diagnose any such lesion. We present a knowledge-based system which is able to support a physician with the interpretation and diagnosis of endoscopic images of the esophagus. Our system is designed to support the physician directly during the examination of the patient, thus prodving diagnostic assistence at the point of care (POC). Based on an interactively marked region in an endoscopic image of interest, the system provides a diagnostic suggestion, based on an annotated reference image database. Furthermore, using relevant feedback mechanisms, the results can be enhanced interactively.

Study of the hydrodynamics of the formation of flows caused by the interaction of a shock wave with two-dimensional density perturbations on the Iskra-5 laser facility

NASA Astrophysics Data System (ADS)

Babanov, A. V.; Barinov, M. A.; Barinov, S. P.; Garanin, R. V.; Zhidkov, N. V.; Kalmykov, N. A.; Kovalenko, V. P.; Kokorin, S. N.; Pinegin, A. V.; Solomatina, E. Yu.; Solomatin, I. I.; Suslov, N. A.

2017-03-01

The hydrodynamics of the flow formation due to the interaction of a shock wave with two-dimensional density perturbations is experimentally investigated on the Iskra-5 laser facility. Shadow images of a jet arising as a result of the impact of a shock wave (formed by a soft X-ray pulse from a target-illuminator) on a flat aluminium target with a blind cylindrical cavity are recorded in experiments with point-like X-ray backlighting having a photon energy of ~4.5 keV. The sizes and mass of the jet ejected from the aluminium cavity by this shock wave are estimated. The experimental data are compared with the results of numerical simulation of the jet formation and dynamics according to the two-dimensional MID-ND2D code.

Gran Sasso National Laboratory: Outreach and communication activities

NASA Astrophysics Data System (ADS)

Antolini, R.; Di Giovanni, A.; Galeota, M.; Sebastiani, S.

2010-01-01

Due to its fascinating structures, the Gran Sasso National Laboratory (LNGS) offers huge opportunities for communication and outreach activities conceived for students and general public. A great effort is devoted to the organisation of the "OPEN DAY", in which the scientific staff of Gran Sasso introduces non expert people to the main relevant research topics of the laboratory through interactive demonstrations and particle detectors. In particular, a portable cosmic rays telescope has been realized: the detector is used by LNGS team in pubblic events as well as to promote the scientific activities of the Laboratory. In order to point out the importance of the scientific culture for young people, LNGS is involved in the organisation of several training courses for students and teachers focused on the improvement of the knowledge on modern physics topics. Since May 2008 is operating in Teramo the "Galileium", an interactive museum for physics and astrophysics.

Surface properties of beached plastics.

PubMed

Fotopoulou, Kalliopi N; Karapanagioti, Hrissi K

2015-07-01

Studying plastic characteristics in the marine environment is important to better understand interaction between plastics and the environment. In the present study, high-density polyethylene (HDPE), polyethylene terephalate (PET), and polyvinyl chloride (PVC) samples were collected from the coastal environment in order to study their surface properties. Surface properties such as surface functional groups, surface topography, point of zero charge, and color change are important factors that change during degradation. Eroded HDPE demonstrated an altered surface topography and color and new functional groups. Eroded PET surface was uneven, yellow, and occasionally, colonized by microbes. A decrease in Fourier transform infrared (FTIR) peaks was observed for eroded PET suggesting that degradation had occurred. For eroded PVC, its surface became more lamellar and a new FTIR peak was observed. These surface properties were obtained due to degradation and could be used to explain the interaction between plastics, microbes, and pollutants.

Quantification of focal adhesion dynamics of cell movement based on cell-induced collagen matrix deformation using second-harmonic generation microscopy.

PubMed

Kang, Yong Guk; Jang, Hwanseok; Yang, Taeseok Daniel; Notbohm, Jacob; Choi, Youngwoon; Park, Yongdoo; Kim, Beop-Min

2018-06-01

Mechanical interactions of living cells with the surrounding environment via focal adhesion (FA) in three dimensions (3-D) play a key role in dynamic biological events, such as tissue regeneration, wound healing, and cancer invasion. Recently, several methods for observing 3-D cell-extracellular matrix (ECM) interactions have been reported, lacking solid and quantitative analysis on the dynamics of the physical interaction between the cell and the ECM. We measured the submicron displacements of ECM deformation in 3-D due to protrusion-retraction dynamics during cell migration, using second-harmonic generation without labeling the matrix structures. We then quantitatively analyzed the mechanical deformation between the ECM and the cells based on spatiotemporal volumetric correlations. The greatest deformations within the collagen matrix were found to occur at sites of colocalization of the FA site-related proteins vinculin and actin, which confirms that FA sites play a critical role in living cells within the ECM as a point for adhesion, traction, and migration. We believe that this modality can be used in studies of cell-ECM interaction during angiogenesis, wound healing, and metastasis. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Quantifying electron transfer reactions in biological systems: what interactions play the major role?

NASA Astrophysics Data System (ADS)

Sjulstok, Emil; Olsen, Jógvan Magnus Haugaard; Solov'Yov, Ilia A.

2015-12-01

Various biological processes involve the conversion of energy into forms that are usable for chemical transformations and are quantum mechanical in nature. Such processes involve light absorption, excited electronic states formation, excitation energy transfer, electrons and protons tunnelling which for example occur in photosynthesis, cellular respiration, DNA repair, and possibly magnetic field sensing. Quantum biology uses computation to model biological interactions in light of quantum mechanical effects and has primarily developed over the past decade as a result of convergence between quantum physics and biology. In this paper we consider electron transfer in biological processes, from a theoretical view-point; namely in terms of quantum mechanical and semi-classical models. We systematically characterize the interactions between the moving electron and its biological environment to deduce the driving force for the electron transfer reaction and to establish those interactions that play the major role in propelling the electron. The suggested approach is seen as a general recipe to treat electron transfer events in biological systems computationally, and we utilize it to describe specifically the electron transfer reactions in Arabidopsis thaliana cryptochrome-a signaling photoreceptor protein that became attractive recently due to its possible function as a biological magnetoreceptor.

Interaction between moving tandem wheels and an infinite rail with periodic supports - Green's matrices of the track method in stationary reference frame

NASA Astrophysics Data System (ADS)

Mazilu, Traian

2017-08-01

This paper approaches the issue of the interaction between moving tandem wheels and an infinite periodically supported rail and points out at the basic characteristics in the steady-state interaction behaviour and in the interaction in the presence of the rail random irregularity. The rail is modelled as an infinite Timoshenko beam resting on supports which are discretely modelling the inertia of the sleepers and ballast and also the viscoelastic features of the rail pads, the ballast and the subgrade. Green‧s matrices of the track method in stationary reference frame were applied so as to conduct the time-domain analysis. This method allows to consider the nonlinearities of the wheel/rail contact and the Doppler effect. The study highlights certain aspects regarding the influence of the wheel base on the wheels/rail contact forces, particularly at the parametric resonance, due to the coincidence between the wheel/rail natural frequency and the passing frequency and also when the rail surface exhibits random irregularity. It has been shown that the wheel/rail dynamic behaviour is less intense when the wheel base equals integer multiple of the sleeper bay.

Effect of Hydrodynamic Interactions on Self-Diffusion of Quasi-Two-Dimensional Colloidal Hard Spheres.

PubMed

Thorneywork, Alice L; Rozas, Roberto E; Dullens, Roel P A; Horbach, Jürgen

2015-12-31

We compare experimental results from a quasi-two-dimensional colloidal hard sphere fluid to a Monte Carlo simulation of hard disks with small particle displacements. The experimental short-time self-diffusion coefficient D(S) scaled by the diffusion coefficient at infinite dilution, D(0), strongly depends on the area fraction, pointing to significant hydrodynamic interactions at short times in the experiment, which are absent in the simulation. In contrast, the area fraction dependence of the experimental long-time self-diffusion coefficient D(L)/D(0) is in quantitative agreement with D(L)/D(0) obtained from the simulation. This indicates that the reduction in the particle mobility at short times due to hydrodynamic interactions does not lead to a proportional reduction in the long-time self-diffusion coefficient. Furthermore, the quantitative agreement between experiment and simulation at long times indicates that hydrodynamic interactions effectively do not affect the dependence of D(L)/D(0) on the area fraction. In light of this, we discuss the link between structure and long-time self-diffusion in terms of a configurational excess entropy and do not find a simple exponential relation between these quantities for all fluid area fractions.

Plant–pollinator interactions under climate change: The use of spatial and temporal transplants1

PubMed Central

Morton, Eva M.; Rafferty, Nicole E.

2017-01-01

Climate change is affecting both the timing of life history events and the spatial distributions of many species, including plants and pollinators. Shifts in phenology and range affect not only individual plant and pollinator species but also interactions among them, with possible negative consequences for both parties due to unfavorable abiotic conditions or mismatches caused by differences in shift magnitude or direction. Ultimately, population extinctions and reductions in pollination services could occur as a result of these climate change–induced shifts, or plants and pollinators could be buffered by plastic or genetic responses or novel interactions. Either scenario will likely involve altered selection pressures, making an understanding of plasticity and local adaptation in space and time especially important. In this review, we discuss two methods for studying plant–pollinator interactions under climate change: spatial and temporal transplants, both of which offer insight into whether plants and pollinators will be able to adapt to novel conditions. We discuss the advantages and limitations of each method and the future possibilities for this area of study. We advocate for consideration of how joint shifts in both dimensions might affect plant–pollinator interactions and point to key insights that can be gained with experimental transplants. PMID:28690930

Tumble Graphs: Avoiding Misleading End Point Extrapolation When Graphing Interactions From a Moderated Multiple Regression Analysis

ERIC Educational Resources Information Center

Bodner, Todd E.

2016-01-01

This article revisits how the end points of plotted line segments should be selected when graphing interactions involving a continuous target predictor variable. Under the standard approach, end points are chosen at ±1 or 2 standard deviations from the target predictor mean. However, when the target predictor and moderator are correlated or the…

An interactive display system for large-scale 3D models

NASA Astrophysics Data System (ADS)

Liu, Zijian; Sun, Kun; Tao, Wenbing; Liu, Liman

2018-04-01

With the improvement of 3D reconstruction theory and the rapid development of computer hardware technology, the reconstructed 3D models are enlarging in scale and increasing in complexity. Models with tens of thousands of 3D points or triangular meshes are common in practical applications. Due to storage and computing power limitation, it is difficult to achieve real-time display and interaction with large scale 3D models for some common 3D display software, such as MeshLab. In this paper, we propose a display system for large-scale 3D scene models. We construct the LOD (Levels of Detail) model of the reconstructed 3D scene in advance, and then use an out-of-core view-dependent multi-resolution rendering scheme to realize the real-time display of the large-scale 3D model. With the proposed method, our display system is able to render in real time while roaming in the reconstructed scene and 3D camera poses can also be displayed. Furthermore, the memory consumption can be significantly decreased via internal and external memory exchange mechanism, so that it is possible to display a large scale reconstructed scene with over millions of 3D points or triangular meshes in a regular PC with only 4GB RAM.

Defect interactions with stepped CeO₂/SrTiO₃ interfaces: implications for radiation damage evolution and fast ion conduction.

PubMed

Dholabhai, Pratik P; Aguiar, Jeffery A; Misra, Amit; Uberuaga, Blas P

2014-05-21

Due to reduced dimensions and increased interfacial content, nanocomposite oxides offer improved functionalities in a wide variety of advanced technological applications, including their potential use as radiation tolerant materials. To better understand the role of interface structures in influencing the radiation damage tolerance of oxides, we have conducted atomistic calculations to elucidate the behavior of radiation-induced point defects (vacancies and interstitials) at interface steps in a model CeO2/SrTiO3 system. We find that atomic-scale steps at the interface have substantial influence on the defect behavior, which ultimately dictate the material performance in hostile irradiation environments. Distinctive steps react dissimilarly to cation and anion defects, effectively becoming biased sinks for different types of defects. Steps also attract cation interstitials, leaving behind an excess of immobile vacancies. Further, defects introduce significant structural and chemical distortions primarily at the steps. These two factors are plausible origins for the enhanced amorphization at steps seen in our recent experiments. The present work indicates that comprehensive examination of the interaction of radiation-induced point defects with the atomic-scale topology and defect structure of heterointerfaces is essential to evaluate the radiation tolerance of nanocomposites. Finally, our results have implications for other applications, such as fast ion conduction.

Phase diagram of the disordered Bose-Hubbard model

NASA Astrophysics Data System (ADS)

Gurarie, V.; Pollet, L.; Prokof'Ev, N. V.; Svistunov, B. V.; Troyer, M.

2009-12-01

We establish the phase diagram of the disordered three-dimensional Bose-Hubbard model at unity filling which has been controversial for many years. The theorem of inclusions, proven by Pollet [Phys. Rev. Lett. 103, 140402 (2009)] states that the Bose-glass phase always intervenes between the Mott insulating and superfluid phases. Here, we note that assumptions on which the theorem is based exclude phase transitions between gapped (Mott insulator) and gapless phases (Bose glass). The apparent paradox is resolved through a unique mechanism: such transitions have to be of the Griffiths type when the vanishing of the gap at the critical point is due to a zero concentration of rare regions where extreme fluctuations of disorder mimic a regular gapless system. An exactly solvable random transverse field Ising model in one dimension is used to illustrate the point. A highly nontrivial overall shape of the phase diagram is revealed with the worm algorithm. The phase diagram features a long superfluid finger at strong disorder and on-site interaction. Moreover, bosonic superfluidity is extremely robust against disorder in a broad range of interaction parameters; it persists in random potentials nearly 50 (!) times larger than the particle half-bandwidth. Finally, we comment on the feasibility of obtaining this phase diagram in cold-atom experiments, which work with trapped systems at finite temperature.

Venus climate stability and volcanic resurfacing rates

NASA Technical Reports Server (NTRS)

Bullock, M. A.; Grinspoon, D. H.; Pollack, J. B.

1994-01-01

The climate of Venus is to a large degree controlled by the radiative properties of its massive atmosphere. In addition, outgassing due to volcanic activity, exospheric escape processes, and surface/atmosphere interactions may all be important in moderating the abundances of atmospheric CO2 and other volatiles. We have developed an evolutionary climate model for Venus using a systems approach that emphasizes feedbacks between elements in the climate system. Modules for atmospheric radiative transfer, surface/atmosphere interactions, tropospheric chemistry, and exospheric escape processes have so far been developed. Climate feedback loops result from interconnections between modules, in the form of the environmental parameters pressure, temperature, and atmospheric mixing ratios. The radiative transfer module has been implemented by using Rosseland mean opacities in a one dimensional grey radiative-convective model. The model has been solved for the static (time independent) case to determine climate equilibrium points. The dynamics of the model have also been explored by employing reaction/diffusion kinetics for possible surface atmosphere heterogeneous reactions over geologic timescales. It was found that under current conditions, the model predicts that the climate of Venus is at or near an unstable equilibrium point. The effects of constant rate volcanism and corresponding exsolution of volatiles on the stability of the climate model were also explored.

ChinaSpec: a network of SIF observations to bridge flux measurements and remote sensing data

NASA Astrophysics Data System (ADS)

Zhang, Y.; Wang, S.; Liu, L.; Ju, W.; Zhu, X.

2017-12-01

Accurately quantifying atmosphere-biosphere interactions across multiple scale still remains a challenge. Remote sensing, especially satellite data, has been widely used as a solution to resolve the broad scale estimation of carbon flux by upscaling the point measurements of eddy covariance (EC) technique. However, critical gaps remain between the EC observations and coarse satellite data due to the scale mismatch. In this regard, it is necessary to build a network of in situ optical observations to bridge the scale-mismatch between EC measurements and satellite remote sensing data. Internationally, a few networks have already been established (e.g., SpecNet and EuroSpec), but still at its early stage. ChinaSpec is a network of linking in situ spectral measurements, especially sun-induce chlorophyll fluorescence (SIF), with point EC observations for better understanding the interactions of atmosphere-biosphere. One main focus of ChinsSpec is to conduct continuous field SIF measurements at multiple EC sites across the mainland of China. This will help us better understand the mechanics of SIF and photosynthesis, and resolve the missing gaps between recent SIF retrievals from coarse satellite data and EC observations. In this presentation, we introduce the background, current stage, and the development of ChinaSpec network.

Nonlocal effects in nonisothermal hydrodynamics from the perspective of beyond-equilibrium thermodynamics.

PubMed

Hütter, Markus; Brader, Joseph M

2009-06-07

We examine the origins of nonlocality in a nonisothermal hydrodynamic formulation of a one-component fluid of particles that exhibit long-range correlations, e.g., due to a spherically symmetric, long-range interaction potential. In order to furnish the continuum modeling with physical understanding of the microscopic interactions and dynamics, we make use of systematic coarse graining from the microscopic to the continuum level. We thus arrive at a thermodynamically admissible and closed set of evolution equations for the densities of momentum, mass, and internal energy. From the consideration of an illustrative special case, the following main conclusions emerge. There are two different source terms in the momentum balance. The first is a body force, which in special circumstances can be related to the functional derivative of a nonlocal Helmholtz free energy density with respect to the mass density. The second source term is proportional to the temperature gradient, multiplied by the nonlocal entropy density. These two source terms combine into a pressure gradient only in the absence of long-range effects. In the irreversible contributions to the time evolution, the nonlocal contributions arise since the self-correlations of the stress tensor and heat flux, respectively, are nonlocal as a result of the microscopic nonlocal correlations. Finally, we point out specific points that warrant further discussions.

An Analytical Approach for Relating Boiling Points of Monofunctional Organic Compounds to Intermolecular Forces

ERIC Educational Resources Information Center

Struyf, Jef

2011-01-01

The boiling point of a monofunctional organic compound is expressed as the sum of two parts: a contribution to the boiling point due to the R group and a contribution due to the functional group. The boiling point in absolute temperature of the corresponding RH hydrocarbon is chosen for the contribution to the boiling point of the R group and is a…

Non-Watson–Crick interactions between PNA and DNA inhibit the ATPase activity of bacteriophage T4 Dda helicase

PubMed Central

Tackett, Alan J.; Corey, David R.; Raney, Kevin D.

2002-01-01

Peptide nucleic acid (PNA) is a DNA mimic in which the nucleobases are linked by an N-(2-aminoethyl) glycine backbone. Here we report that PNA can interact with single-stranded DNA (ssDNA) in a non-sequence-specific fashion. We observed that a 15mer PNA inhibited the ssDNA-stimulated ATPase activity of a bacteriophage T4 helicase, Dda. Surprisingly, when a fluorescein-labeled 15mer PNA was used in binding studies no interaction was observed between PNA and Dda. However, fluorescence polarization did reveal non-sequence-specific interactions between PNA and ssDNA. Thus, the inhibition of ATPase activity of Dda appears to result from depletion of the available ssDNA due to non-Watson–Crick binding of PNA to ssDNA. Inhibition of the ssDNA-stimulated ATPase activity was observed for several PNAs of varying length and sequence. To study the basis for this phenomenon, we examined self-aggregation by PNAs. The 15mer PNA readily self-aggregates to the point of precipitation. Since PNAs are hydrophobic, they aggregate more than DNA or RNA, making the study of this phenomenon essential for understanding the properties of PNA. Non-sequence-specific interactions between PNA and ssDNA were observed at moderate concentrations of PNA, suggesting that such interactions should be considered for antisense and antigene applications. PMID:11842106

Applications of hydrophilic interaction chromatography to amino acids, peptides, and proteins.

PubMed

Periat, Aurélie; Krull, Ira S; Guillarme, Davy

2015-02-01

This review summarizes the recent advances in the analysis of amino acids, peptides, and proteins using hydrophilic interaction chromatography. Various reports demonstrate the successful analysis of amino acids under such conditions. However, a baseline resolution of the 20 natural amino acids has not yet been published and for this reason, there is often a need to use mass spectrometry for detection to further improve selectivity. Hydrophilic interaction chromatography is also recognized as a powerful technique for peptide analysis, and there are a lot of papers showing its applicability for proteomic applications (peptide mapping). It is expected that its use for peptide mapping will continue to grow in the future, particularly because this analytical strategy can be combined with reversed-phase liquid chromatography, in a two-dimensional setup, to reach very high resolving power. Finally, the interest in hydrophilic interaction chromatography for intact proteins analysis is less evident due to possible solubility issues and a lack of suitable hydrophilic interaction chromatography stationary phases. To date, it has been successfully employed only for the characterization of membrane proteins, histones, and the separation of glycosylated isoforms of an intact glycoprotein. From our point of view, the number of hydrophilic interaction chromatography columns compatible with intact proteins (higher upper temperature limit, large pore size, etc.) is still too limited. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interaction dynamics of temporal and spatial separated cavitation bubbles in water

NASA Astrophysics Data System (ADS)

Tinne, N.; Ripken, T.; Lubatschowski, H.

2010-02-01

The LASIK procedure is a well established laser based treatment in ophthalmology. Nowadays it includes a cutting of the corneal tissue bases on ultra short pulses which are focused below the tissue surface to create an optical breakdown and hence a dissection of the tissue. The energy of the laser pulse is absorbed by non-linear processes that result in an expansion of a cavitation bubble and rupturing of the tissue. Due to a reduction of the duration of treatment the current development of ultra short laser systems points to higher repetition rates. This in turn results in a probable interaction between different cavitation bubbles of adjacent optical breakdowns. While the interaction of one single laser pulse with biological tissue is analyzed reasonably well experimentally and theoretically, the interaction of several spatial and temporal following pulses is scarcely determined yet. We present a high-speed photography analysis of cavitation bubble interaction for two spatial separated laser-induced optical breakdowns varying the laser pulse energy as well as the spatial distance. Depending on a change of these parameters different kinds of interactions such as a flattening and deformation of bubble shape, asymmetric water streams and jet formation were observed. The results of this research can be used to comprehend and optimize the cutting effect of ultra short pulse laser systems with high repetition rates (> 1 MHz).

Tracking control of time-varying knee exoskeleton disturbed by interaction torque.

PubMed

Li, Zhan; Ma, Wenhao; Yin, Ziguang; Guo, Hongliang

2017-11-01

Knee exoskeletons have been increasingly applied as assistive devices to help lower-extremity impaired people to make their knee joints move through providing external movement compensation. Tracking control of knee exoskeletons guided by human intentions often encounters time-varying (time-dependent) issues and the disturbance interaction torque, which may dramatically put an influence up on their dynamic behaviors. Inertial and viscous parameters of knee exoskeletons can be estimated to be time-varying due to unexpected mechanical vibrations and contact interactions. Moreover, the interaction torque produced from knee joint of wearers has an evident disturbance effect on regular motions of knee exoskeleton. All of these points can increase difficultly of accurate control of knee exoskeletons to follow desired joint angle trajectories. This paper proposes a novel control strategy for controlling knee exoskeleton with time-varying inertial and viscous coefficients disturbed by interaction torque. Such designed controller is able to make the tracking error of joint angle of knee exoskeletons exponentially converge to zero. Meanwhile, the proposed approach is robust to guarantee the tracking error bounded when the interaction torque exists. Illustrative simulation and experiment results are presented to show efficiency of the proposed controller. Additionally, comparisons with gradient dynamic (GD) approach and other methods are also presented to demonstrate efficiency and superiority of the proposed control strategy for tracking joint angle of knee exoskeleton. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Effect of short range hydrodynamic on bimodal colloidal gel systems

NASA Astrophysics Data System (ADS)

Boromand, Arman; Jamali, Safa; Maia, Joao

2015-03-01

Colloidal Gels and disordered arrested systems has been studied extensively during the past decades. Although, they have found their place in multiple industries such as cosmetic, food and so on, their physical principals are still far beyond being understood. The interplay between different types of interactions from quantum scale, Van der Waals interaction, to short range interactions, depletion interaction, and long range interactions such as electrostatic double layer makes this systems challenging from simulation point of view. Many authors have implemented different simulation techniques such as molecular dynamics (MD) and Brownian dynamics (BD) to capture better picture during phase separation of colloidal system with short range attractive force. However, BD is not capable to include multi-body hydrodynamic interaction and MD is limited by the computational resources and is limited to short time and length scales. In this presentation we used Core-modified dissipative particle dynamics (CM-DPD) with modified depletion potential, as a coarse-grain model, to address the gel formation process in short ranged-attractive colloidal suspensions. Due to the possibility to include and separate short and long ranged-hydrodynamic forces in this method we studied the effect of each of those forces on the final morphology and report one of the controversial question in this field on the effect of hydrodynamics on the cluster formation process on bimodal, soft-hard colloidal mixtures.

Towards a gestural 3D interaction for tangible and three-dimensional GIS visualizations

NASA Astrophysics Data System (ADS)

Partsinevelos, Panagiotis; Agadakos, Ioannis; Pattakos, Nikolas; Maragakis, Michail

2014-05-01

The last decade has been characterized by a significant increase of spatially dependent applications that require storage, visualization, analysis and exploration of geographic information. GIS analysis of spatiotemporal geographic data is operated by highly trained personnel under an abundance of software and tools, lacking interoperability and friendly user interaction. Towards this end, new forms of querying and interaction are emerging, including gestural interfaces. Three-dimensional GIS representations refer to either tangible surfaces or projected representations. Making a 3D tangible geographic representation touch-sensitive may be a convenient solution, but such an approach raises the cost significantly and complicates the hardware and processing required to combine touch-sensitive material (for pinpointing points) with deformable material (for displaying elevations). In this study, a novel interaction scheme upon a three dimensional visualization of GIS data is proposed. While gesture user interfaces are not yet fully acceptable due to inconsistencies and complexity, a non-tangible GIS system where 3D visualizations are projected, calls for interactions that are based on three-dimensional, non-contact and gestural procedures. Towards these objectives, we use the Microsoft Kinect II system which includes a time of flight camera, allowing for a robust and real time depth map generation, along with the capturing and translation of a variety of predefined gestures from different simultaneous users. By incorporating these features into our system architecture, we attempt to create a natural way for users to operate on GIS data. Apart from the conventional pan and zoom features, the key functions addressed for the 3-D user interface is the ability to pinpoint particular points, lines and areas of interest, such as destinations, waypoints, landmarks, closed areas, etc. The first results shown, concern a projected GIS representation where the user selects points and regions of interest while the GIS component responds accordingly by changing the scenario in a natural disaster application. Creating a 3D model representation of geospatial data provides a natural way for users to perceive and interact with space. To the best of our knowledge it is the first attempt to use Kinect II for GIS applications and generally virtual environments using novel Human Computer Interaction methods. Under a robust decision support system, the users are able to interact, combine and computationally analyze information in three dimensions using gestures. This study promotes geographic awareness and education and will prove beneficial for a wide range of geoscience applications including natural disaster and emergency management. Acknowledgements: This work is partially supported under the framework of the "Cooperation 2011" project ATLANTAS (11_SYN_6_1937) funded from the Operational Program "Competitiveness and Entrepreneurship" (co-funded by the European Regional Development Fund (ERDF)) and managed by the Greek General Secretariat for Research and Technology.

Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters.

PubMed

Yang, Zhong-Zhi; Wu, Yang; Zhao, Dong-Xia

2004-02-08

Recently, experimental and theoretical studies on the water system are very active and noticeable. A transferable intermolecular potential seven points approach including fluctuation charges and flexible body (ABEEM-7P) based on a combination of the atom-bond electronegativity equalization and molecular mechanics (ABEEM/MM), and its application to small water clusters are explored and tested in this paper. The consistent combination of ABEEM and molecular mechanics (MM) is to take the ABEEM charges of atoms, bonds, and lone-pair electrons into the intermolecular electrostatic interaction term in molecular mechanics. To examine the charge transfer we have used two models coming from the charge constraint types: one is a charge neutrality constraint on whole water system and the other is on each water molecule. Compared with previous water force fields, the ABEEM-7P model has two characters: (1) the ABEEM-7P model not only presents the electrostatic interaction of atoms, bonds and lone-pair electrons and their changing in respond to different ambient environment but also introduces "the hydrogen bond interaction region" in which a new parameter k(lp,H)(R(lp,H)) is used to describe the electrostatic interaction of the lone-pair electron and the hydrogen atom which can form the hydrogen bond; (2) nonrigid but flexible water body permitting the vibration of the bond length and angle is allowed due to the combination of ABEEM and molecular mechanics, and for van der Waals interaction the ABEEM-7P model takes an all atom-atom interaction, i.e., oxygen-oxygen, hydrogen-hydrogen, oxygen-hydrogen interaction into account. The ABEEM-7P model based on ABEEM/MM gives quite accurate predictions for gas-phase state properties of the small water clusters (H(2)O)(n) (n=2-6), such as optimized geometries, monomer dipole moments, vibrational frequencies, and cluster interaction energies. Due to its explicit description of charges and the hydrogen bond, the ABEEM-7P model will be applied to discuss properties of liquid water, ice, aqueous solutions, and biological systems.

Observations of beam losses due to bound-free pair production in a heavy-ion collider.

PubMed

Bruce, R; Jowett, J M; Gilardoni, S; Drees, A; Fischer, W; Tepikian, S; Klein, S R

2007-10-05

We report the first observations of beam losses due to bound-free pair production at the interaction point of a heavy-ion collider. This process is expected to be a major luminosity limit for the CERN Large Hadron Collider when it operates with (208)Pb(82+) ions because the localized energy deposition by the lost ions may quench superconducting magnet coils. Measurements were performed at the BNL Relativistic Heavy Ion Collider (RHIC) during operation with 100 GeV/nucleon (63)Cu(29+) ions. At RHIC, the rate, energy and magnetic field are low enough so that magnet quenching is not an issue. The hadronic showers produced when the single-electron ions struck the RHIC beam pipe were observed using an array of photodiodes. The measurement confirms the order of magnitude of the theoretical cross section previously calculated by others.

Slow light enhanced gas sensing in photonic crystals

NASA Astrophysics Data System (ADS)

Kraeh, Christian; Martinez-Hurtado, J. L.; Popescu, Alexandru; Hedler, Harry; Finley, Jonathan J.

2018-02-01

Infrared spectroscopy allows for highly selective and highly sensitive detection of gas species and concentrations. Conventional gas spectrometers are generally large and unsuitable for on-chip applications. Long absorption path lengths are usually required and impose a challenge for miniaturization. In this work, a gas spectrometer is developed consisting of a microtube photonic crystal structure. This structure of millimetric form factors minimizes the required absorption path length due to slow light effects. The microtube photonic crystal allows for strong transmission in the mid-infrared and, due to its large void space fraction, a strong interaction between light and gas molecules. As a result, enhanced absorption of light increases the gas sensitivity of the device. Slow light enhanced gas absorption by a factor of 5.8 in is experimentally demonstrated at 5400 nm. We anticipate small form factor gas sensors on silicon to be a starting point for on-chip gas sensing architectures.

Perception of Social Interactions for Spatially Scrambled Biological Motion

PubMed Central

Thurman, Steven M.; Lu, Hongjing

2014-01-01

It is vitally important for humans to detect living creatures in the environment and to analyze their behavior to facilitate action understanding and high-level social inference. The current study employed naturalistic point-light animations to examine the ability of human observers to spontaneously identify and discriminate socially interactive behaviors between two human agents. Specifically, we investigated the importance of global body form, intrinsic joint movements, extrinsic whole-body movements, and critically, the congruency between intrinsic and extrinsic motions. Motion congruency is hypothesized to be particularly important because of the constraint it imposes on naturalistic action due to the inherent causal relationship between limb movements and whole body motion. Using a free response paradigm in Experiment 1, we discovered that many naïve observers (55%) spontaneously attributed animate and/or social traits to spatially-scrambled displays of interpersonal interaction. Total stimulus motion energy was strongly correlated with the likelihood that an observer would attribute animate/social traits, as opposed to physical/mechanical traits, to the scrambled dot stimuli. In Experiment 2, we found that participants could identify interactions between spatially-scrambled displays of human dance as long as congruency was maintained between intrinsic/extrinsic movements. Violating the motion congruency constraint resulted in chance discrimination performance for the spatially-scrambled displays. Finally, Experiment 3 showed that scrambled point-light dancing animations violating this constraint were also rated as significantly less interactive than animations with congruent intrinsic/extrinsic motion. These results demonstrate the importance of intrinsic/extrinsic motion congruency for biological motion analysis, and support a theoretical framework in which early visual filters help to detect animate agents in the environment based on several fundamental constraints. Only after satisfying these basic constraints could stimuli be evaluated for high-level social content. In this way, we posit that perceptual animacy may serve as a gateway to higher-level processes that support action understanding and social inference. PMID:25406075

Aeroacoustic theory for noncompact wing-gust interaction

NASA Technical Reports Server (NTRS)

Martinez, R.; Widnall, S. E.

1981-01-01

Three aeroacoustic models for noncompact wing-gust interaction were developed for subsonic flow. The first is that for a two dimensional (infinite span) wing passing through an oblique gust. The unsteady pressure field was obtained by the Wiener-Hopf technique; the airfoil loading and the associated acoustic field were calculated, respectively, by allowing the field point down on the airfoil surface, or by letting it go to infinity. The second model is a simple spanwise superposition of two dimensional solutions to account for three dimensional acoustic effects of wing rotation (for a helicopter blade, or some other rotating planform) and of finiteness of wing span. A three dimensional theory for a single gust was applied to calculate the acoustic signature in closed form due to blade vortex interaction in helicopters. The third model is that of a quarter infinite plate with side edge through a gust at high subsonic speed. An approximate solution for the three dimensional loading and the associated three dimensional acoustic field in closed form was obtained. The results reflected the acoustic effect of satisfying the correct loading condition at the side edge.

Dislocation dynamics simulations of interactions between gliding dislocations and radiation induced prismatic loops in zirconium

NASA Astrophysics Data System (ADS)

Drouet, Julie; Dupuy, Laurent; Onimus, Fabien; Mompiou, Frédéric; Perusin, Simon; Ambard, Antoine

2014-06-01

The mechanical behavior of Pressurized Water Reactor fuel cladding tubes made of zirconium alloys is strongly affected by neutron irradiation due to the high density of radiation induced dislocation loops. In order to investigate the interaction mechanisms between gliding dislocations and loops in zirconium, a new nodal dislocation dynamics code, adapted to Hexagonal Close Packed metals, has been used. Various configurations have been systematically computed considering different glide planes, basal or prismatic, and different characters, edge or screw, for gliding dislocations with -type Burgers vectors. Simulations show various interaction mechanisms such as (i) absorption of a loop on an edge dislocation leading to the formation of a double super-jog, (ii) creation of a helical turn, on a screw dislocation, that acts as a strong pinning point or (iii) sweeping of a loop by a gliding dislocation. It is shown that the clearing of loops is more favorable when the dislocation glides in the basal plane than in the prismatic plane explaining the easy dislocation channeling in the basal plane observed after neutron irradiation by transmission electron microscopy.

Isotope engineering of van der Waals interactions in hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Vuong, T. Q. P.; Liu, S.; van der Lee, A.; Cuscó, R.; Artús, L.; Michel, T.; Valvin, P.; Edgar, J. H.; Cassabois, G.; Gil, B.

2018-02-01

Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes (10B and 11B) compared to those with the natural distribution of boron (20 at% 10B and 80 at% 11B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10BN than in 11BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yuanbin; Pálffy, Adriana, E-mail: yuanbin.wu@mpi-hd.mpg.de, E-mail: Palffy@mpi-hd.mpg.de

Due to screening effects, nuclear reactions in astrophysical plasmas may behave differently than in the laboratory. The possibility to determine the magnitude of these screening effects in colliding laser-generated plasmas is investigated theoretically, having as a starting point a proposed experimental setup with two laser beams at the Extreme Light Infrastructure facility. A laser pulse interacting with a solid target produces a plasma through the Target Normal Sheath Acceleration scheme, and this rapidly streaming plasma (ion flow) impacts a secondary plasma created by the interaction of a second laser pulse on a gas jet target. We model this scenario heremore » and calculate the reaction events for the astrophysically relevant reaction {sup 13}C({sup 4}He, n ){sup 16}O. We find that it should be experimentally possible to determine the plasma screening enhancement factor for fusion reactions by detecting the difference in reaction events between two scenarios of ion flow interacting with the plasma target and a simple gas target. This provides a way to evaluate nuclear reaction cross-sections in stellar environments and can significantly advance the field of nuclear astrophysics.« less

Isotope engineering of van der Waals interactions in hexagonal boron nitride.

PubMed

Vuong, T Q P; Liu, S; Van der Lee, A; Cuscó, R; Artús, L; Michel, T; Valvin, P; Edgar, J H; Cassabois, G; Gil, B

2018-02-01

Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes ( 10 B and 11 B) compared to those with the natural distribution of boron (20 at% 10 B and 80 at% 11 B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10 BN than in 11 BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

Hormonally active phytochemicals from macroalgae: A largely untapped source of ligands to deorphanize nuclear receptors in emerging marine animal models.

PubMed

Markov, Gabriel V; Girard, Jean; Laudet, Vincent; Leblanc, Catherine

2018-06-15

Hormonally active phytochemicals (HAPs) are signaling molecules produced by plants that alter hormonal signaling in animals, due to consumption or environmental exposure. To date, HAPs have been investigated mainly in terrestrial ecosystems. To gain a full understanding of the origin and evolution of plant-animal interactions, it is necessary also to study these interactions in the marine environment, where the major photosynthetic lineages are very distant from the terrestrial plants. Here we focus on chemicals from red and brown macroalgae and point out their potential role as modulators of the endocrine system of aquatic animals through nuclear hormone receptors. We show that, regarding steroids and oxylipins, there are already some candidates available for further functional investigations of ligand-receptor interactions. Furthermore, several carotenoids, produced by cyanobacteria provide candidates that could be investigated with respect to their presence in macroalgae. Finally, regarding halogenated compounds, it is not clear yet which molecules could bridge the gap to explain the transition from lipid sensing to thyroid hormone high affinity binding among nuclear receptors. Copyright © 2018 Elsevier Inc. All rights reserved.

Rashba quantum wire: exact solution and ballistic transport.

PubMed

Perroni, C A; Bercioux, D; Ramaglia, V Marigliano; Cataudella, V

2007-05-08

The effect of Rashba spin-orbit interaction in quantum wires with hard-wall boundaries is discussed. The exact wavefunction and eigenvalue equation are worked out, pointing out the mixing between the spin and spatial parts. The spectral properties are also studied within perturbation theory with respect to the strength of the spin-orbit interaction and diagonalization procedure. A comparison is made with the results of a simple model, the two-band model, that takes account only of the first two sub-bands of the wire. Finally, the transport properties within the ballistic regime are analytically calculated for the two-band model and through a tight-binding Green function for the entire system. Single and double interfaces separating regions with different strengths of spin-orbit interaction are analysed by injecting carriers into the first and the second sub-band. It is shown that in the case of a single interface the spin polarization in the Rashba region is different from zero, and in the case of two interfaces the spin polarization shows oscillations due to spin-selective bound states.

Interactions between non-steroidal anti-inflammatory drugs and lipid membranes

NASA Astrophysics Data System (ADS)

Boggara, Mohan; Krishnamoorti, Ramanan

2008-03-01

Chronic usage of Non-steroidal anti-inflammatory drugs(NSAIDs) leads to gastrointestinal toxicity and clinical evidences point the cause to direct interactions between NSAIDs and phospholipid membranes. Also, NSAIDs pre-associated with phospholipid vesicles are shown to be safer and therapeutically more effective than unmodified ones. Our initial experiments and simulations on the partitioning of Aspirin and Ibuprofen clearly indicate role played by the drug structure in drug-membrane interactions. Those results motivated systematic molecular dynamics simulations of membranes with NSAIDs of different size, structure and pKa values. Our results suggest high partition coefficients for these NSAIDs in the membrane compared to water and thinning effect on the bilayer. Our small angle neutron scattering and reflectivity studies on DMPC-Ibuprofen systems indicate that the drug affects both ˜5 nm thick bilayer and overall ˜100 nm diameter vesicle, indicating that NSAIDs affect vesicles on various length scales. We will discuss the structural perturbations to membranes due to NSAIDs at clinically relevant molar ratios and their implications on the use of vesicles as delivery vehicles for NSAIDs.

Determination of Plasma Screening Effects for Thermonuclear Reactions in Laser-generated Plasmas

NASA Astrophysics Data System (ADS)

Wu, Yuanbin; Pálffy, Adriana

2017-03-01

Due to screening effects, nuclear reactions in astrophysical plasmas may behave differently than in the laboratory. The possibility to determine the magnitude of these screening effects in colliding laser-generated plasmas is investigated theoretically, having as a starting point a proposed experimental setup with two laser beams at the Extreme Light Infrastructure facility. A laser pulse interacting with a solid target produces a plasma through the Target Normal Sheath Acceleration scheme, and this rapidly streaming plasma (ion flow) impacts a secondary plasma created by the interaction of a second laser pulse on a gas jet target. We model this scenario here and calculate the reaction events for the astrophysically relevant reaction 13C(4He, n)16O. We find that it should be experimentally possible to determine the plasma screening enhancement factor for fusion reactions by detecting the difference in reaction events between two scenarios of ion flow interacting with the plasma target and a simple gas target. This provides a way to evaluate nuclear reaction cross-sections in stellar environments and can significantly advance the field of nuclear astrophysics.

Sensing sociality in dogs: what may make an interactive robot social?

PubMed

Lakatos, Gabriella; Janiak, Mariusz; Malek, Lukasz; Muszynski, Robert; Konok, Veronika; Tchon, Krzysztof; Miklósi, A

2014-03-01

This study investigated whether dogs would engage in social interactions with an unfamiliar robot, utilize the communicative signals it provides and to examine whether the level of sociality shown by the robot affects the dogs' performance. We hypothesized that dogs would react to the communicative signals of a robot more successfully if the robot showed interactive social behaviour in general (towards both humans and dogs) than if it behaved in a machinelike, asocial way. The experiment consisted of an interactive phase followed by a pointing session, both with a human and a robotic experimenter. In the interaction phase, dogs witnessed a 6-min interaction episode between the owner and a human experimenter and another 6-min interaction episode between the owner and the robot. Each interaction episode was followed by the pointing phase in which the human/robot experimenter indicated the location of hidden food by using pointing gestures (two-way choice test). The results showed that in the interaction phase, the dogs' behaviour towards the robot was affected by the differential exposure. Dogs spent more time staying near the robot experimenter as compared to the human experimenter, with this difference being even more pronounced when the robot behaved socially. Similarly, dogs spent more time gazing at the head of the robot experimenter when the situation was social. Dogs achieved a significantly lower level of performance (finding the hidden food) with the pointing robot than with the pointing human; however, separate analysis of the robot sessions suggested that gestures of the socially behaving robot were easier for the dogs to comprehend than gestures of the asocially behaving robot. Thus, the level of sociality shown by the robot was not enough to elicit the same set of social behaviours from the dogs as was possible with humans, although sociality had a positive effect on dog-robot interactions.

Spin Hall and Nernst effects of Weyl magnons

NASA Astrophysics Data System (ADS)

Zyuzin, Vladimir A.; Kovalev, Alexey A.

2018-05-01

In this paper, we present a simple model of a three-dimensional insulating magnetic structure which represents a magnonic analog of the layered electronic system described by A. A. Burkov and L. Balents [Phys. Rev. Lett. 107, 127205 (2011), 10.1103/PhysRevLett.107.127205]. In particular, our model realizes Weyl magnons as well as surface states with a Dirac spectrum. In this model, the Dzyaloshinskii-Moriya interaction is responsible for the separation of opposite Weyl points in momentum space. We calculate the intrinsic (due to the Berry curvature) transport properties of Weyl and so-called anomalous Hall effect magnons. The results are compared with fermionic analogs.

A new method for achieving enhanced dielectric response over a wide temperature range

DOE PAGES

Maurya, Deepam; Sun, Fu -Chang; Pamir Alpay, S.; ...

2015-10-19

We report a novel approach for achieving high dielectric response over a wide temperature range. In this approach, multilayer ceramic heterostructures with constituent compositions having strategically tuned Curie points (TC) were designed and integrated with varying electrical connectivity. Interestingly, these multilayer structures exhibited different dielectric behavior in series and parallel configuration due to variations in electrical boundary conditions resulting in the differences in the strength of the electrostatic coupling. The results are explained using nonlinear thermodynamic model taking into account electrostatic interlayer interaction. We believe that present work will have huge significance in design of high performance ceramic capacitors.

Mechanisms, applications, and perspectives of antiviral RNA silencing in plants

PubMed Central

Garcia-Ruiz, Hernan; Ruiz, Mayra Teresa Garcia; Peralta, Sergio Manuel Gabriel; Gabriel, Cristina Betzabeth Miravel; El-Mounadi, Kautar

2017-01-01

Viral diseases of plants cause important economic losses due to reduction in crop quality and quantity to the point of threatening food security in some countries. Given the reduced availability of natural sources, genetic resistance to viruses has been successfully engineered for some plant-virus combinations. A sound understanding of the basic mechanisms governing plant-virus interactions, including antiviral RNA silencing, is the foundation to design better management strategies and biotechnological approaches to engineer and implement antiviral resistance in plants. In this review, we present current molecular models to explain antiviral RNA silencing and its application in basic plant research, biotechnology and genetic engineering. PMID:28890589

Thread bonds in molecules

NASA Astrophysics Data System (ADS)

Ivlev, B.

2017-07-01

Unusual chemical bonds are proposed. Each bond is characterized by the thread of a small radius, 10-11 cm, extended between two nuclei in a molecule. An analogue of a potential well, of the depth of MeV scale, is formed within the thread. This occurs due to the local reduction of zero point electromagnetic energy. This is similar to formation of the Casimir well. The electron-photon interaction only is not sufficient for formation of thread state. The mechanism of electron mass generation is involved in the close vicinity, 10-16 cm, of the thread. Thread bonds are stable and cannot be created or destructed in chemical or optical processes.

A new method for achieving enhanced dielectric response over a wide temperature range

PubMed Central

Maurya, Deepam; Sun, Fu-Chang; Pamir Alpay, S.; Priya, Shashank

2015-01-01

We report a novel approach for achieving high dielectric response over a wide temperature range. In this approach, multilayer ceramic heterostructures with constituent compositions having strategically tuned Curie points (TC) were designed and integrated with varying electrical connectivity. Interestingly, these multilayer structures exhibited different dielectric behavior in series and parallel configuration due to variations in electrical boundary conditions resulting in the differences in the strength of the electrostatic coupling. The results are explained using nonlinear thermodynamic model taking into account electrostatic interlayer interaction. We believe that present work will have huge significance in design of high performance ceramic capacitors. PMID:26477391

Design and modelling of a 3D compliant leg for Bioloid

NASA Astrophysics Data System (ADS)

Couto, Mafalda; Santos, Cristina; Machado, José

2012-09-01

In the growing field of rehabilitation robotics, the modelling of a real robot is a complex and passionate challenge. On the crossing point of mechanics, physics and computer-science, the development of a complete 3D model involves the knowledge of the different physic properties, for an accurate simulation. In this paper, it is proposed the design of an efficient three-dimensional model of the quadruped Bioloid robot setting segmented pantographic legs, in order to actively retract the quadruped legs during locomotion and minimizing large forces due to shocks, such that the robot is able to safely and dynamically interact with the user or the environment.

Critical exponents of the disorder-driven superfluid-insulator transition in one-dimensional Bose-Einstein condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cestari, J. C. C.; Foerster, A.; Gusmao, M. A.

2011-11-15

We investigate the nature of the superfluid-insulator quantum phase transition driven by disorder for noninteracting ultracold atoms on one-dimensional lattices. We consider two different cases: Anderson-type disorder, with local energies randomly distributed, and pseudodisorder due to a potential incommensurate with the lattice, which is usually called the Aubry-Andre model. A scaling analysis of numerical data for the superfluid fraction for different lattice sizes allows us to determine quantum critical exponents characterizing the disorder-driven superfluid-insulator transition. We also briefly discuss the effect of interactions close to the noninteracting quantum critical point of the Aubry-Andre model.

A computational and theoretical analysis of falling frequency VLF emissions

NASA Astrophysics Data System (ADS)

Nunn, David; Omura, Yoshiharu

2012-08-01

Recently much progress has been made in the simulation and theoretical understanding of rising frequency triggered emissions and rising chorus. Both PIC and Vlasov VHS codes produce risers in the region downstream from the equator toward which the VLF waves are traveling. The VHS code only produces fallers or downward hooks with difficulty due to the coherent nature of wave particle interaction across the equator. With the VHS code we now confine the interaction region to be the region upstream from the equator, where inhomogeneity factor S is positive. This suppresses correlated wave particle interaction effects across the equator and the tendency of the code to trigger risers, and permits the formation of a proper falling tone generation region. The VHS code now easily and reproducibly triggers falling tones. The evolution of resonant particle current JE in space and time shows a generation point at -5224 km and the wavefield undergoes amplification of some 25 dB in traversing the nonlinear generation region. The current component parallel to wave magnetic field (JB) is positive, whereas it is negative for risers. The resonant particle trap shows an enhanced distribution function or `hill', whereas risers have a `hole'. According to recent theory (Omura et al., 2008, 2009) sweeping frequency is due primarily to the advective term. The nonlinear frequency shift term is now negative (˜-12 Hz) and the sweep rate of -800 Hz/s is approximately nonlinear frequency shift divided by TN, the transition time, of the order of a trapping time.

Magnetization due to localized states on graphene grain boundary

PubMed Central

Dutta, Sudipta; Wakabayashi, Katsunori

2015-01-01

Magnetism in graphene has been found to originate from various defects, e.g., vacancy, edge formation, add-atoms etc. Here, we discuss about an alternate route of achieving magnetism in graphene via grain boundary. During chemical vapor deposition of graphene, several graphene nucleation centers grow independently and face themselves with unusual bonding environment, giving rise to the formation of grain boundaries. We investigate the origin of magnetism in such grain boundaries within first-principles calculations, by letting two nucleation centers interact with each other at their interface. We observe formation of unprecedented point defect, consisting of fused three-membered and larger carbon rings, which induces net magnetization to graphene quantum dots. In case of periodic lattices, the appearance of array of point defects leads to the formation of magnetic grain boundaries. The net magnetization on these defects arises due to the deviation from bipartite characteristics of pristine graphene. We observe magnetic grain boundary induced dispersion less flat bands near Fermi energy, showing higher localization of electrons. These flat bands can be accessed via small doping, leading to enhanced magnetism. Moreover, the grain boundaries can induce asymmetric spin conduction behavior along the cross boundary direction. These properties can be exploited for sensor and spin-filtering applications. PMID:26145161

SN 1986J VLBI. IV. The Nature of the Central Component

NASA Astrophysics Data System (ADS)

Bietenholz, Michael F.; Bartel, Norbert

2017-12-01

We report on Very Large Array measurements between 1 and 45 GHz of the evolving radio spectral energy distribution (SED) of SN 1986J, made in conjunction with very long baseline interferometry (VLBI) imaging. The SED of SN 1986J is unique among supernovae, and shows an inversion point and a high-frequency turnover. Both are due to the central component seen in the VLBI images, and both are progressing downward in frequency with time. The optically thin spectral index of the central component is almost the same as that of the shell. We fit a simple model to the evolving SED consisting of an optically thin shell and a partly absorbed central component. The evolution of the SED is consistent with that of a homologously expanding system. Both components are fading, but the shell is fading more rapidly. We conclude that the central component is physically inside the expanding shell, and not a surface hotspot central only in projection. Our observations are consistent with the central component being due to interaction of the shock with the dense and highly structured circumstellar medium that resulted from a period of common-envelope evolution of the progenitor. However, a young pulsar-wind nebula or emission from an accreting black hole can also not be ruled out at this point.

Enhanced superconductivity at the interface of W/Sr2RuO4 point contact

NASA Astrophysics Data System (ADS)

Wei, Jian; Wang, He; Lou, Weijian; Luo, Jiawei; Liu, Ying; Ortmann, J. E.; Mao, Z. Q.

Differential resistance measurements are conducted for point contacts (PCs) between the Sr2RuO4 (SRO) single crystal and the tungsten tip. Since the tungsten tip is hard enough to penetrate through the surface layer, consistent superconducting features are observed. Firstly, with the tip pushed towards the crystal, the zero bias conductance peak (ZBCP) due to Andreev reflection at the normal-superconducting interface increases from 3% to more than 20%, much larger than previously reported, and extends to temperature higher than the bulk transition temperature. Reproducible ZBCP within 0.2 mV may also help determine the gap value of SRO, on which no consensus has been reached. Secondly, the logarithmic background can be fitted with the Altshuler-Aronov theory of electron-electron interaction for tunneling into quasi two dimensional electron system. Feasibility of such fitting confirms that spectroscopic information like density of states is probed, and electronic temperature retrieved from such fitting can be important to analyse the PC spectra. Third, at bias much higher than 0.2 mV there are conductance dips due to the critical current effect and these dips persist up to 6.2 K. For more details see. National Basic Research Program of China (973 Program) through Grant No. 2011CBA00106 and No. 2012CB927400.

Influence of obstacle disturbance in a duct on explosion characteristics of coal gas

NASA Astrophysics Data System (ADS)

Wang, Cheng; Ma, Tianbao; Lu, Jie

2010-02-01

In combination with experimental research, numerical simulation is performed to investigate the influence law of the obstacles in a duct on the explosion flame of premixed coal gas and air. The numerical method uses upwind WENO scheme and two-step chemical reaction model. The interaction mechanism is addressed between the compression wave from reflection on the right end of the duct and flame propagation. The reflected wave is found to result in the decrease of flame velocity. On this basis, we analyze the mechanism of the obstacles on flame as well as the law of flow field variation thus caused. The results suggest that, due to the obstacles, deflagration wave is repeatedly reflected, combustible gas mixture is fully compressed, temperature and pressure rise, chemical reaction speed increases, and hence flame intensity is strengthened. At the same time, a tripe point forms as a result of wall reflection of the deflagration wave from the obstacles and furthermore local flame speed increases. As the triple point propagates forward, the flame speed gradually decreases due to dissipation of energy. These conclusions provide a valuable theoretical foundation for the prediction of explosion field, prevention of fire and explosion and effective control of the combustion speed and flame propagation speed in detonation propulsion.

Intercomparison of Registration Techniques and Interactive 3D Visualization of Differential LiDAR from the 2010 El Mayor-Cucapah Earthquake

NASA Astrophysics Data System (ADS)

Banesh, D.; Oskin, M. E.; Mu, A.; Vu, C.; Westerteiger, R.; Krishnan, A.; Hamann, B.; Glennie, C. L.; Hinojosa, A.; Borsa, A. A.

2013-12-01

Differential LiDAR provides unprecedented images of the near-field ground deformation and fault slip due to earthquakes. Here we examine the performance of the Iterative Closest Point (ICP) technique for data registration between pre- and post-earthquake LiDAR point clouds of varying density. We use the 2010 El Mayor-Cucapah data set as our region of interest since this earthquake produced different types of surface ruptures, yielding a variety of deformation styles for analysis. We also test a more simplistic, Chi-Squared minimization approach and find that it produces good results when compared to ICP. We present different techniques for visualizing large vector fields, and show how each method highlights a unique feature in the data set. Dense vector fields are useful when analyzing smaller deformations in the surface. A sparse, averaged vector field analyzes the bigger, overall shifts without interference caused by small details. Flow-based visualizations like Line Integral Convolution (LIC) graphs, provide insight into particular artifacts of data collection, such as distortions due to uncorrected pitch and yaw of the aircraft during the survey. Animations of the vector field establish the direction of movement in the landscape, quickly highlighting areas of interest.

Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.

PubMed

Horn, Hans W; Swope, William C; Pitera, Jed W

2005-11-15

The liquid-vapor-phase equilibrium properties of the previously developed TIP4P-Ew water model have been studied using thermodynamic integration free-energy simulation techniques in the temperature range of 274-400 K. We stress that free-energy results from simulations need to be corrected in order to be compared to the experiment. This is due to the fact that the thermodynamic end states accessible through simulations correspond to fictitious substances (classical rigid liquids and classical rigid ideal gases) while experiments operate on real substances (liquids and real gases, with quantum effects). After applying analytical corrections the vapor pressure curve obtained from simulated free-energy changes is in excellent agreement with the experimental vapor pressure curve. The boiling point of TIP4P-Ew water under ambient pressure is found to be at 370.3+/-1.9 K, about 7 K higher than the boiling point of TIP4P water (363.7+/-5.1 K; from simulations that employ finite range treatment of electrostatic and Lennard-Jones interactions). This is in contrast to the approximately +15 K by which the temperature of the density maximum and the melting temperature of TIP4P-Ew are shifted relative to TIP4P, indicating that the temperature range over which the liquid phase of TIP4P-Ew is stable is narrower than that of TIP4P and resembles more that of real water. The quality of the vapor pressure results highlights the success of TIP4P-Ew in describing the energetic and entropic aspects of intermolecular interactions in liquid water.

Conditions for observing emergent SU(4) symmetry in a double quantum dot

NASA Astrophysics Data System (ADS)

Nishikawa, Yunori; Curtin, Oliver J.; Hewson, Alex C.; Crow, Daniel J. G.; Bauer, Johannes

2016-06-01

We analyze conditions for the observation of a low-energy SU(4) fixed point in capacitively coupled quantum dots. One problem, due to dots with different couplings to their baths, has been considered by L. Tosi, P. Roura-Bas, and A. A. Aligia, J. Phys.: Condens. Matter 27, 335601 (2015), 10.1088/0953-8984/27/33/335601. They showed how symmetry can be effectively restored via the adjustment of individual gates voltages, but they make the assumption of infinite on-dot and interdot interaction strengths. A related problem is the difference in the magnitudes between the on-dot and interdot strengths for capacitively coupled quantum dots. Here we examine both factors, based on a two-site Anderson model, using the numerical renormalization group to calculate the local spectral densities on the dots and the renormalized parameters that specify the low-energy fixed point. Our results support the conclusions of Tosi et al. that low-energy SU(4) symmetry can be restored, but asymptotically achieved only if the interdot interaction U12 is greater than or of the order of the bandwidth of the coupled conduction bath D , which might be difficult to achieve experimentally. By comparing the SU(4) Kondo results for a total dot occupation ntot=1 and 2, we conclude that the temperature dependence of the conductance is largely determined by the constraints of the Friedel sum rule rather than the SU(4) symmetry and suggest that an initial increase of the conductance with temperature is a distinguishing characteristic feature of an ntot=1 universal SU(4) fixed point.

Guidance of microswimmers by wall and flow: Thigmotaxis and rheotaxis of unsteady squirmers in two and three dimensions

NASA Astrophysics Data System (ADS)

Ishimoto, Kenta

2017-10-01

The motions of an unsteady circular-disk squirmer and a spherical squirmer have been investigated in the presence of a no-slip infinite wall and a background shear flow in order to clarify the similarities and differences between two- and three-dimensional motions. Despite the similar bifurcation structure of the dynamical system, the stability of the fixed points differs due to the Hamiltonian structure of the disk squirmer. Once the unsteady oscillating surface velocity profile is considered, the disk squirmer can behave in a chaotic manner and cease to be confined in a near-wall region. In contrast, in an unsteady spherical squirmer, the dynamics is well attracted by a stable fixed point. Additional wall contact interactions lead to stable fixed points for the disk squirmer, and, in turn, the surface entrapment of the disk squirmer can be stabilized, regardless of the existence of the background flow. Finally, we consider spherical motion under a background flow. The separated time scales of the surface entrapment (thigmotaxis) and the turning toward the flow direction (rheotaxis) enable us to reduce the dynamics to two-dimensional phase space, and simple weather-vane mechanics can predict squirmer rheotaxis. The analogous structure of the phase plane with the wall contact in two and three dimensions implies that the two-dimensional disk swimmer successfully captures the nonlinear interactions, and thus two-dimensional approximation could be useful in designing microfluidic devices for the guidance of microswimmers and for clarifying the locomotions in a complex geometry.

CME Interaction with Large-Scale Coronal Structures

NASA Technical Reports Server (NTRS)

Gopalswarny, Nat

2012-01-01

This talk presents some key observations that highlight the importance of CME interaction with other large scale structures such as CMEs and coronal holes . Such interactions depend on the phase of the solar cycle: during maximum, CMEs are ejected more frequently, so CME-CME interaction becomes dominant. During the rise phase, the polar coronal holes are strong, so the interaction between polar coronal holes and CMEs is important, which also leads to a possible increase in the number of interplanetary CMEs observed as magnetic clouds. During the declining phase, there are more equatorial coronal holes, so CMEs originating near these coronal holes are easily deflected. CMEs can be deflected toward and away from the Sun-Earth line resulting in interesting geospace consequences. For example, the largest geomagnetic storm of solar cycle 23 was due to a CME that was deflected towards the Sun-earth line from E22. CME deflection away from the Sun-Earth line diminishes the chance of a CME producing a geomagnetic storm. CME interaction in the coronagraphic field of view was first identified using enhanced radio emission, which is an indication of acceleration of low energy (approx.10 keV) electrons in the interaction site. CME interaction, therefore, may also have implications for proton acceleration. For example, solar energetic particle events typically occur with a higher intensity, whenever multiple CMEs occur in quick succession from the same source region. CME deflection may also have implications to the arrival of energetic particles to earth because magnetic connectivity may be changed by the interaction. I illustrate the above points using examples from SOHO, STEREO, Wind, and ACE data .

Specific energy contributions from competing hydrogen-bonded structures in six polymorphs of phenobarbital.

PubMed

Gelbrich, Thomas; Braun, Doris E; Griesser, Ulrich J

2016-01-01

In solid state structures of organic molecules, identical sets of H-bond donor and acceptor functions can result in a range of distinct H-bond connectivity modes. Specifically, competing H-bond structures (HBSs) may differ in the quantitative proportion between one-point and multiple-point H-bond connections. For an assessment of such HBSs, the effects of their internal as well as external (packing) interactions need to be taken into consideration. The semi-classical density sums (SCDS-PIXEL) method, which enables the calculation of interaction energies for molecule-molecule pairs, was used to investigate six polymorphs of phenobarbital (Pbtl) with different quantitative proportions of one-point and two-point H-bond connections. The structures of polymorphs V and VI of Pbtl were determined from single crystal data. Two-point H-bond connections are inherently inflexible in their geometry and lie within a small PIXEL energy range (-45.7 to -49.7 kJ mol(-1)). One-point H-bond connections are geometrically less restricted and subsequently show large variations in their dispersion terms and total energies (-23.1 to -40.5 kJ mol(-1)). The comparison of sums of interaction energies in small clusters containing only the strongest intermolecular interactions showed an advantage for compact HBSs with multiple-point connections, whereas alternative HBSs based on one-point connections may enable more favourable overall packing interactions (i.e. V vs. III). Energy penalties associated with experimental intramolecular geometries relative to the global conformational energy minimum were calculated and used to correct total PIXEL energies. The estimated order of stabilities (based on PIXEL energies) is III > I > II > VI > X > V, with a difference of just 1.7 kJ mol(-1) between the three most stable forms. For an analysis of competing HBSs, one has to consider the contributions from internal H-bond and non-H-bond interactions, from the packing of multiple HBS instances and intramolecular energy penalties. A compact HBS based on multiple-point H-bond connections should typically lead to more packing alternatives and ultimately to a larger number of viable low-energy structures than a competing one-point HBS (i.e. dimer vs. catemer). Coulombic interaction energies associated with typical short intermolecular C-H···O contact geometries are small in comparison with dispersion effects associated with the packing complementary molecular shapes.Graphical abstractCompeting H-bond motifs can differ markedly in their energy contributions.

Liquid-gas phase transitions and C K symmetry in quantum field theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimura, Hiromichi; Ogilvie, Michael C.; Pangeni, Kamal

A general field-theoretic framework for the treatment of liquid-gas phase transitions is developed. Starting from a fundamental four-dimensional field theory at nonzero temperature and density, an effective three-dimensional field theory is derived. The effective field theory has a sign problem at finite density. Although finite density explicitly breaks charge conjugation C , there remains a symmetry under C K , where K is complex conjugation. Here, we consider four models: relativistic fermions, nonrelativistic fermions, static fermions and classical particles. The interactions are via an attractive potential due to scalar field exchange and a repulsive potential due to massive vector exchange.more » The field-theoretic representation of the partition function is closely related to the equivalence of the sine-Gordon field theory with a classical gas. The thermodynamic behavior is extracted from C K -symmetric complex saddle points of the effective field theory at tree level. In the cases of nonrelativistic fermions and classical particles, we find complex saddle point solutions but no first-order transitions, and neither model has a ground state at tree level. The relativistic and static fermions show a liquid-gas transition at tree level in the effective field theory. The liquid-gas transition, when it occurs, manifests as a first-order line at low temperature and high density, terminated by a critical end point. The mass matrix controlling the behavior of correlation functions is obtained from fluctuations around the saddle points. Due to the C K symmetry of the models, the eigenvalues of the mass matrix are not always real but can be complex. This then leads to the existence of disorder lines, which mark the boundaries where the eigenvalues go from purely real to complex. The regions where the mass matrix eigenvalues are complex are associated with the critical line. In the case of static fermions, a powerful duality between particles and holes allows for the analytic determination of both the critical line and the disorder lines. Depending on the values of the parameters, either zero, one, or two disorder lines are found. Our numerical results for relativistic fermions give a very similar picture.« less

Liquid-gas phase transitions and C K symmetry in quantum field theories

DOE PAGES

Nishimura, Hiromichi; Ogilvie, Michael C.; Pangeni, Kamal

2017-04-04

A general field-theoretic framework for the treatment of liquid-gas phase transitions is developed. Starting from a fundamental four-dimensional field theory at nonzero temperature and density, an effective three-dimensional field theory is derived. The effective field theory has a sign problem at finite density. Although finite density explicitly breaks charge conjugation C , there remains a symmetry under C K , where K is complex conjugation. Here, we consider four models: relativistic fermions, nonrelativistic fermions, static fermions and classical particles. The interactions are via an attractive potential due to scalar field exchange and a repulsive potential due to massive vector exchange.more » The field-theoretic representation of the partition function is closely related to the equivalence of the sine-Gordon field theory with a classical gas. The thermodynamic behavior is extracted from C K -symmetric complex saddle points of the effective field theory at tree level. In the cases of nonrelativistic fermions and classical particles, we find complex saddle point solutions but no first-order transitions, and neither model has a ground state at tree level. The relativistic and static fermions show a liquid-gas transition at tree level in the effective field theory. The liquid-gas transition, when it occurs, manifests as a first-order line at low temperature and high density, terminated by a critical end point. The mass matrix controlling the behavior of correlation functions is obtained from fluctuations around the saddle points. Due to the C K symmetry of the models, the eigenvalues of the mass matrix are not always real but can be complex. This then leads to the existence of disorder lines, which mark the boundaries where the eigenvalues go from purely real to complex. The regions where the mass matrix eigenvalues are complex are associated with the critical line. In the case of static fermions, a powerful duality between particles and holes allows for the analytic determination of both the critical line and the disorder lines. Depending on the values of the parameters, either zero, one, or two disorder lines are found. Our numerical results for relativistic fermions give a very similar picture.« less

AKAP18:PKA-RIIα structure reveals crucial anchor points for recognition of regulatory subunits of PKA

PubMed Central

Götz, Frank; Roske, Yvette; Schulz, Maike Svenja; Autenrieth, Karolin; Bertinetti, Daniela; Faelber, Katja; Zühlke, Kerstin; Kreuchwig, Annika; Kennedy, Eileen J.; Krause, Gerd; Daumke, Oliver; Herberg, Friedrich W.; Heinemann, Udo; Klussmann, Enno

2016-01-01

A-kinase anchoring proteins (AKAPs) interact with the dimerization/docking (D/D) domains of regulatory subunits of the ubiquitous protein kinase A (PKA). AKAPs tether PKA to defined cellular compartments establishing distinct pools to increase the specificity of PKA signalling. Here, we elucidated the structure of an extended PKA-binding domain of AKAP18β bound to the D/D domain of the regulatory RIIα subunits of PKA. We identified three hydrophilic anchor points in AKAP18β outside the core PKA-binding domain, which mediate contacts with the D/D domain. Such anchor points are conserved within AKAPs that bind regulatory RII subunits of PKA. We derived a different set of anchor points in AKAPs binding regulatory RI subunits of PKA. In vitro and cell-based experiments confirm the relevance of these sites for the interaction of RII subunits with AKAP18 and of RI subunits with the RI-specific smAKAP. Thus we report a novel mechanism governing interactions of AKAPs with PKA. The sequence specificity of each AKAP around the anchor points and the requirement of these points for the tight binding of PKA allow the development of selective inhibitors to unequivocally ascribe cellular functions to the AKAP18-PKA and other AKAP-PKA interactions. PMID:27102985

Modeling recent economic debates

NASA Astrophysics Data System (ADS)

Skiadas, Christos H.

The previous years' disaster in the stock markets all over the world and the resulting economic crisis lead to serious criticisms of the various models used. It was evident that large fluctuations and sudden losses may occur even in the case of a well organized and supervised context as it looks to be the European Union. In order to explain the economic systems, we explore models of interacting and conflicting populations. The populations are conflicting into the same environment (a Stock Market or a Group of Countries as the EU). Three models where introduced 1) the Lotka-Volterra 2) the Lanchester or the Richardson model and 3) a new model for two conflicting populations. These models assume immediate interaction between the two conflicting populations. This is usually not the case in a stock market or between countries as delays in the information process arise. The main rules present include mutual interaction between adopters, potential adopters, word-of-mouth communication and of course by taking into consideration the innovation diffusion process. In a previous paper (Skiadas, 2010 [9]) we had proposed and analyzed a model including mutual interaction with delays due to the innovation diffusion process. The model characteristics where expressed by third order terms providing four characteristic symmetric stationary points. In this paper we summarize the previous results and we analyze the case of a non-symmetric case where the leading part receives the information immediately while the second part receives the information following a delay mechanism due to the innovation diffusion process (the spread of information) which can be expressed by a third order term. In the later case the non-symmetric process leads to gains of the leading part while the second part oscillates between gains and losses during time.

Comet giacobini-zinner: plasma description.

PubMed

Bame, S J; Anderson, R C; Asbridge, J R; Baker, D N; Feldman, W C; Fuselier, S A; Gosling, J T; McComas, D J; Thomsen, M F; Young, D T; Zwickl, R D

1986-04-18

A strong interaction between the solar wind and comet Giacobini-Zinner was observed oh 11 September 1985 with the Los Alamos plasma electron experiment on the International Cometary Explorer (ICE) spacecraft. As ICE approached an intercept point 7800 kilometers behind the nucleus from the south and receded to the north, upstream phenomena due to the comet were observed. Periods of enhanced electron heat flux from the comet as well as almost continuous electron density fluctuations were measured. These effects are related to the strong electron heating observed in the cometary interaction region and to cometary ion pickup by the solar wind, respectively. No evidence for a conventional bow shock was found as ICE entered and exited the regions of strongest interaction of the solar wind with the cometary environment. The outer extent of this strong interaction zone was a transition region in which the solar wind plasma was heated, compressed, and slowed. Inside the inner boundary of the transition region was a sheath that enclosed a cold intermediate coma. In the transition region and sheath, small-scale enhancements in density were observed. These density spikes may be due to an instability associated with cometary ion pickup or to the passage of ICE through cometary ray structures. In the center of the cold intermediate coma a narrow, high-density core of plasma, presumably the developing plasma tail was found. In some ways this tail can be compared to the plasma sheet in Earth's magnetotail and to the current sheet in the tail at Venus. This type of configuration is expected in the double-lobe magnetic topology detected at the comet, possibly caused by the theoretically expected draping of the interplanetary magnetic field around its ionosphere.

Computational Growth and Remodeling of Abdominal Aortic Aneurysms Constrained by the Spine.

PubMed

Farsad, Mehdi; Zeinali-Davarani, Shahrokh; Choi, Jongeun; Baek, Seungik

2015-09-01

Abdominal aortic aneurysms (AAAs) evolve over time, and the vertebral column, which acts as an external barrier, affects their biomechanical properties. Mechanical interaction between AAAs and the spine is believed to alter the geometry, wall stress distribution, and blood flow, although the degree of this interaction may depend on AAAs specific configurations. In this study, we use a growth and remodeling (G&R) model, which is able to trace alterations of the geometry, thus allowing us to computationally investigate the effect of the spine for progression of the AAA. Medical image-based geometry of an aorta is constructed along with the spine surface, which is incorporated into the computational model as a cloud of points. The G&R simulation is initiated by local elastin degradation with different spatial distributions. The AAA-spine interaction is accounted for using a penalty method when the AAA surface meets the spine surface. The simulation results show that, while the radial growth of the AAA wall is prevented on the posterior side due to the spine acting as a constraint, the AAA expands faster on the anterior side, leading to higher curvature and asymmetry in the AAA configuration compared to the simulation excluding the spine. Accordingly, the AAA wall stress increases on the lateral, posterolateral, and the shoulder regions of the anterior side due to the AAA-spine contact. In addition, more collagen is deposited on the regions with a maximum diameter. We show that an image-based computational G&R model not only enhances the prediction of the geometry, wall stress, and strength distributions of AAAs but also provides a framework to account for the interactions between an enlarging AAA and the spine for a better rupture potential assessment and management of AAA patients.

Computational Growth and Remodeling of Abdominal Aortic Aneurysms Constrained by the Spine

PubMed Central

Farsad, Mehdi; Zeinali-Davarani, Shahrokh; Choi, Jongeun; Baek, Seungik

2015-01-01

Abdominal aortic aneurysms (AAAs) evolve over time, and the vertebral column, which acts as an external barrier, affects their biomechanical properties. Mechanical interaction between AAAs and the spine is believed to alter the geometry, wall stress distribution, and blood flow, although the degree of this interaction may depend on AAAs specific configurations. In this study, we use a growth and remodeling (G&R) model, which is able to trace alterations of the geometry, thus allowing us to computationally investigate the effect of the spine for progression of the AAA. Medical image-based geometry of an aorta is constructed along with the spine surface, which is incorporated into the computational model as a cloud of points. The G&R simulation is initiated by local elastin degradation with different spatial distributions. The AAA–spine interaction is accounted for using a penalty method when the AAA surface meets the spine surface. The simulation results show that, while the radial growth of the AAA wall is prevented on the posterior side due to the spine acting as a constraint, the AAA expands faster on the anterior side, leading to higher curvature and asymmetry in the AAA configuration compared to the simulation excluding the spine. Accordingly, the AAA wall stress increases on the lateral, posterolateral, and the shoulder regions of the anterior side due to the AAA–spine contact. In addition, more collagen is deposited on the regions with a maximum diameter. We show that an image-based computational G&R model not only enhances the prediction of the geometry, wall stress, and strength distributions of AAAs but also provides a framework to account for the interactions between an enlarging AAA and the spine for a better rupture potential assessment and management of AAA patients. PMID:26158885

Effect of surface chemical composition on the surface potential and iso-electric point of silicon substrates modified with self-assembled monolayers.

PubMed

Kuo, Che-Hung; Chang, Hsun-Yun; Liu, Chi-Ping; Lee, Szu-Hsian; You, Yun-Wen; Shyue, Jing-Jong

2011-03-07

Self-assembled monolayer (SAM)-modified nano-materials are a new technology to deliver drug molecules. While the majority of these depend on covalently immobilizing molecules on the surface, it is proposed that electrostatic interactions may be used to deliver drugs. By tuning the surface potential of solid substrates with SAMs, drug molecules could be either absorbed on or desorbed from substrates through the difference in electrostatic interactions around the selected iso-electric point (IEP). In this work, the surface of silicon substrates was tailored with various ratios of 3-aminopropyltrimethoxysilane (APTMS) and 3-mercaptopropyltrimethoxysilane (MPTMS), which form amine- and thiol-bearing SAMs, respectively. The ratio of the functional groups on the silicon surface was quantified by X-ray photoelectron spectrometry (XPS); in general, the deposition kinetics of APTMS were found to be faster than those of MPTMS. Furthermore, for solutions with high MPTMS concentrations, the relative deposition rate of APTMS increased dramatically due to the acid-base reaction in the solution and subsequent electrostatic interactions between the molecules and the substrate. The zeta potential in aqueous electrolytes was determined with an electro-kinetic analyzer. By depositing SAMs of binary functional groups in varied ratios, the surface potential and IEP of silicon substrates could be fine-tuned. For <50% amine concentration in SAMs, the IEP changed linearly with the chemical composition from <2 to 7.18. For higher amine concentrations, the IEP slowly increased with concentration to 7.94 because the formation of hydrogen-bonding suppressed the subsequent protonation of amines.

Point-to-point migration functions and gravity model renormalization: approaches to aggregation in spatial interaction modeling.

PubMed

Slater, P B

1985-08-01

Two distinct approaches to assessing the effect of geographic scale on spatial interactions are modeled. In the first, the question of whether a distance deterrence function, which explains interactions for one system of zones, can also succeed on a more aggregate scale, is examined. Only the two-parameter function for which it is found that distances between macrozones are weighted averaged of distances between component zones is satisfactory in this regard. Estimation of continuous (point-to-point) functions--in the form of quadrivariate cubic polynomials--for US interstate migration streams, is then undertaken. Upon numerical integration, these higher order surfaces yield predictions of interzonal and intrazonal movements at any scale of interest. Test of spatial stationarity, isotropy, and symmetry of interstate migration are conducted in this framework.

Moving Force Identification: a Time Domain Method

NASA Astrophysics Data System (ADS)

Law, S. S.; Chan, T. H. T.; Zeng, Q. H.

1997-03-01

The solution for the vertical dynamic interaction forces between a moving vehicle and the bridge deck is analytically derived and experimentally verified. The deck is modelled as a simply supported beam with viscous damping, and the vehicle/bridge interaction force is modelled as one-point or two-point loads with fixed axle spacing, moving at constant speed. The method is based on modal superposition and is developed to identify the forces in the time domain. Both cases of one-point and two-point forces moving on a simply supported beam are simulated. Results of laboratory tests on the identification of the vehicle/bridge interaction forces are presented. Computation simulations and laboratory tests show that the method is effective, and acceptable results can be obtained by combining the use of bending moment and acceleration measurements.

Cross-comparison of three surrogate safety methods to diagnose cyclist safety problems at intersections in Norway.

PubMed

Laureshyn, Aliaksei; Goede, Maartje de; Saunier, Nicolas; Fyhri, Aslak

2017-08-01

Relying on accident records as the main data source for studying cyclists' safety has many drawbacks, such as high degree of under-reporting, the lack of accident details and particularly of information about the interaction processes that led to the accident. It is also an ethical problem as one has to wait for accidents to happen in order to make a statement about cyclists' (un-)safety. In this perspective, the use of surrogate safety measures based on actual observations in traffic is very promising. In this study we used video data from three intersections in Norway that were all independently analysed using three methods: the Swedish traffic conflict technique (Swedish TCT), the Dutch conflict technique (DOCTOR) and the probabilistic surrogate measures of safety (PSMS) technique developed in Canada. The first two methods are based on manual detection and counting of critical events in traffic (traffic conflicts), while the third considers probabilities of multiple trajectories for each interaction and delivers a density map of potential collision points per site. Due to extensive use of microscopic data, PSMS technique relies heavily on automated tracking of the road users in video. Across the three sites, the methods show similarities or are at least "compatible" with the accident records. The two conflict techniques agree quite well for the number, type and location of conflicts, but some differences with no obvious explanation are also found. PSMS reports many more safety-relevant interactions including less severe events. The location of the potential collision points is compatible with what the conflict techniques suggest, but the possibly significant share of false alarms due to inaccurate trajectories extracted from video complicates the comparison. The tested techniques still require enhancement, with respect to better adjustment to analysis of the situations involving cyclists (and vulnerable road users in general) and further validation. However, we believe this to be a future direction for the road safety analysis as the number of accidents is constantly decreasing and the quality of accident data does not seem to improve. Copyright © 2016 Elsevier Ltd. All rights reserved.

The roles of the binodal curve and the spinodal curve in expansions from the supercritical state with flashing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Knuth, Eldon L.; Miller, David R.; Even, Uzi

2014-12-09

Data extracted from time-of-flight (TOF) measurements made on steady-state He free jets at Göttingen already in 1986 and for pulsed Ne free jets investigated recently at Tel Aviv have been added to an earlier plot of terminal condensed-phase mass fraction x{sub 2∞} as a function of the dimensionless scaling parameter Γ. Γ characterizes the source (fluid species, temperature, pressure and throat diameter); values of x{sub 2∞} are extracted from TOF measurements using conservation of energy in the free-jet expansion. For nozzles consisting of an orifice in a thin plate; the extracted data yield 22 data points which are correlated satisfactorilymore » by a single curve. The Ne free jets were expanded from a conical nozzle with a 20° half angle; the three extracted data points stand together but apart from the aforementioned curve, indicating that the presence of the conical wall influences significantly the expansion and hence the condensation. The 22 data points for the expansions via an orifice consist of 15 measurements with expansions from the gas-phase side of the binodal curve which crossed the binodal curve downstream from the sonic point and 7 measurements with expansions of the gas-phase product of the flashing which occurred after an expansion from the liquid-phase side of the binodal curve crossed the binodal curve upstream from the sonic point. The association of these 22 points with a single curve supports the alternating-phase model for flows with flashing upstream from the sonic point proposed earlier. In order to assess the role of the spinodal curve in such expansions, the spinodal curves for He and Ne were computed using general multi-parameter Helmholtz-free-energy equation-of-state formulations. Then, for the several sets of source-chamber conditions used in the free-jet measurements, thermodynamic states at key locations in the free-jet expansions (binodal curve, sonic point and spinodal curve) were evaluated, with the expansion presumed to be metastable from the binodal curve to the spinodal curve. TOF distributions with more than two peaks (interpreted earlier as superimposed alternating-state TOF distributions) indicated flashing of the metastable flow downstream from the binodal curve but upstream from the sonic point. This relatively early flashing is due apparently to destabilizing interactions with the walls of the source. If the expansion crosses the binodal curve downstream from the nozzle, the metastable fluid does not interact with surfaces and flashing might be delayed until the expansion reaches the spinodal curve. It is concluded that, if the expansion crosses the binodal curve before reaching the sonic point, the resulting metastable fluid downstream from the binodal curve interacts with the adjacent surfaces and flashes into liquid and vapor phases which expand alternately through the nozzle; the two associated alternating TOF distributions are superposed by the chopping process so that the result has the appearance of a single distribution with three peaks.« less

General Movements in preterm infants undergoing craniosacral therapy: a randomised controlled pilot-trial.

PubMed

Raith, Wolfgang; Marschik, Peter B; Sommer, Constanze; Maurer-Fellbaum, Ute; Amhofer, Claudia; Avian, Alexander; Löwenstein, Elisabeth; Soral, Susanne; Müller, Wilhelm; Einspieler, Christa; Urlesberger, Berndt

2016-01-13

The objective of this study was to investigate neurological short-term effects of craniosacral therapy as an ideal form of osteopathic manipulative treatment (OMT) due to the soft kinaesthetic stimulation. Included were 30 preterm infants, with a gestational age between 25 and 33 weeks, who were admitted to the neonatal intensive care unit of the University Hospital of Graz, Austria. The infants were randomized either into the intervention group (IG) which received standardised craniosacral therapy, or the control group (CG) which received standard care. To guarantee that only preterm infants with subsequent normal neurodevelopment were included, follow up was done regularly at the corrected age (= actual age in weeks minus weeks premature) of 12 and 24 months. After 2 years 5 infants had to be excluded (IG; n = 12; CG: n = 13). General Movements (GMs) are part of the spontaneous movement repertoire and are present from early fetal life onwards until the end of the first half year of life. To evaluate the immediate result of such an intervention, we selected the General Movement Assessment (GMA) as an appropriate tool. Besides the global GMA (primary outcome) we used as detailed GMA, the General Movement Optimality Score (GMOS- secondary outcome), based on Prechtl's optimality concept. To analyse GMOS (secondary outcome) a linear mixed model with fixed effects for session, time point (time point refers to the comparisons of the measurements before vs. after each session) and intervention (IG vs. CG), random effect for individual children and a first order autoregressive covariance structure was used for calculation of significant differences between groups and interactions. Following interaction terms were included in the model: session*time point, session*intervention, time point*intervention and session*time point*intervention. Exploratory post hoc analyses (interaction: session*time point*intervention) were performed to determine group differences for all twelve measurement (before and after all 6 sessions) separately. Between groups no difference in the global GMA (primary outcome) could be observed. The GMOS (secondary outcome) did not change from session to session (main effect session: p = 0.262) in the IG or the CG. Furthermore no differences between IG and CG (main effect group: p = 0.361) and no interaction of time*session could be observed (p = 0.658). Post hoc analysis showed a trend toward higher values before (p = 0.085) and after (p = 0.075) the first session in CG compared to IG. At all other time points GMOS were not significantly different between groups. We were able to indicate that a group of "healthy" preterm infants undergoing an intervention with craniosacral therapy (IG) showed no significant changes in GMs compared to preterm infants without intervention (CG). In view of the fact that the global GMA (primary outcome) showed no difference between groups and the GMOS (detailed GMA-secondary outcome) did not deteriorate in the IG, craniosacral therapy seems to be safe in preterm infants. German Clinical Trials Register DRKS00004258 .

2012 Survey of Reserve Components Spouses (RCSS): Tabulations of Responses

DTIC Science & Technology

2012-09-30

injury/medical problems Child care problems Other family/personal obligation Maternity / paternity leave Labor dispute Weather affected job School...Did you interact with the unit or Service point of contact? ............................. 262  36.  How satisfied are you with the level of assistance...I did not interact with the unit or Service point of contact were tabulated separately, as responses to the constructed question Did you interact

Is scale-invariance in gauge-Yukawa systems compatible with the graviton?

NASA Astrophysics Data System (ADS)

Christiansen, Nicolai; Eichhorn, Astrid; Held, Aaron

2017-10-01

We explore whether perturbative interacting fixed points in matter systems can persist under the impact of quantum gravity. We first focus on semisimple gauge theories and show that the leading order gravity contribution evaluated within the functional Renormalization Group framework preserves the perturbative fixed-point structure in these models discovered in [J. K. Esbensen, T. A. Ryttov, and F. Sannino, Phys. Rev. D 93, 045009 (2016)., 10.1103/PhysRevD.93.045009]. We highlight that the quantum-gravity contribution alters the scaling dimension of the gauge coupling, such that the system exhibits an effective dimensional reduction. We secondly explore the effect of metric fluctuations on asymptotically safe gauge-Yukawa systems which feature an asymptotically safe fixed point [D. F. Litim and F. Sannino, J. High Energy Phys. 12 (2014) 178., 10.1007/JHEP12(2014)178]. The same effective dimensional reduction that takes effect in pure gauge theories also impacts gauge-Yukawa systems. There, it appears to lead to a split of the degenerate free fixed point into an interacting infrared attractive fixed point and a partially ultraviolet attractive free fixed point. The quantum-gravity induced infrared fixed point moves towards the asymptotically safe fixed point of the matter system, and annihilates it at a critical value of the gravity coupling. Even after that fixed-point annihilation, graviton effects leave behind new partially interacting fixed points for the matter sector.

Phase diagram and critical end point for strongly interacting quarks.

PubMed

Qin, Si-xue; Chang, Lei; Chen, Huan; Liu, Yu-xin; Roberts, Craig D

2011-04-29

We introduce a method based on chiral susceptibility, which enables one to draw a phase diagram in the chemical-potential-temperature plane for strongly interacting quarks whose interactions are described by any reasonable gap equation, even if the diagrammatic content of the quark-gluon vertex is unknown. We locate a critical end point at (μ(E),T(E))∼(1.0,0.9)T(c), where T(c) is the critical temperature for chiral-symmetry restoration at μ=0, and find that a domain of phase coexistence opens at the critical end point whose area increases as a confinement length scale grows.

Trends in IT Innovation to Build a Next Generation Bioinformatics Solution to Manage and Analyse Biological Big Data Produced by NGS Technologies.

PubMed

de Brevern, Alexandre G; Meyniel, Jean-Philippe; Fairhead, Cécile; Neuvéglise, Cécile; Malpertuy, Alain

2015-01-01

Sequencing the human genome began in 1994, and 10 years of work were necessary in order to provide a nearly complete sequence. Nowadays, NGS technologies allow sequencing of a whole human genome in a few days. This deluge of data challenges scientists in many ways, as they are faced with data management issues and analysis and visualization drawbacks due to the limitations of current bioinformatics tools. In this paper, we describe how the NGS Big Data revolution changes the way of managing and analysing data. We present how biologists are confronted with abundance of methods, tools, and data formats. To overcome these problems, focus on Big Data Information Technology innovations from web and business intelligence. We underline the interest of NoSQL databases, which are much more efficient than relational databases. Since Big Data leads to the loss of interactivity with data during analysis due to high processing time, we describe solutions from the Business Intelligence that allow one to regain interactivity whatever the volume of data is. We illustrate this point with a focus on the Amadea platform. Finally, we discuss visualization challenges posed by Big Data and present the latest innovations with JavaScript graphic libraries.

Trends in IT Innovation to Build a Next Generation Bioinformatics Solution to Manage and Analyse Biological Big Data Produced by NGS Technologies

PubMed Central

de Brevern, Alexandre G.; Meyniel, Jean-Philippe; Fairhead, Cécile; Neuvéglise, Cécile; Malpertuy, Alain

2015-01-01

Sequencing the human genome began in 1994, and 10 years of work were necessary in order to provide a nearly complete sequence. Nowadays, NGS technologies allow sequencing of a whole human genome in a few days. This deluge of data challenges scientists in many ways, as they are faced with data management issues and analysis and visualization drawbacks due to the limitations of current bioinformatics tools. In this paper, we describe how the NGS Big Data revolution changes the way of managing and analysing data. We present how biologists are confronted with abundance of methods, tools, and data formats. To overcome these problems, focus on Big Data Information Technology innovations from web and business intelligence. We underline the interest of NoSQL databases, which are much more efficient than relational databases. Since Big Data leads to the loss of interactivity with data during analysis due to high processing time, we describe solutions from the Business Intelligence that allow one to regain interactivity whatever the volume of data is. We illustrate this point with a focus on the Amadea platform. Finally, we discuss visualization challenges posed by Big Data and present the latest innovations with JavaScript graphic libraries. PMID:26125026

Point Cloud Generation from Aerial Image Data Acquired by a Quadrocopter Type Micro Unmanned Aerial Vehicle and a Digital Still Camera

PubMed Central

Rosnell, Tomi; Honkavaara, Eija

2012-01-01

The objective of this investigation was to develop and investigate methods for point cloud generation by image matching using aerial image data collected by quadrocopter type micro unmanned aerial vehicle (UAV) imaging systems. Automatic generation of high-quality, dense point clouds from digital images by image matching is a recent, cutting-edge step forward in digital photogrammetric technology. The major components of the system for point cloud generation are a UAV imaging system, an image data collection process using high image overlaps, and post-processing with image orientation and point cloud generation. Two post-processing approaches were developed: one of the methods is based on Bae Systems’ SOCET SET classical commercial photogrammetric software and another is built using Microsoft®’s Photosynth™ service available in the Internet. Empirical testing was carried out in two test areas. Photosynth processing showed that it is possible to orient the images and generate point clouds fully automatically without any a priori orientation information or interactive work. The photogrammetric processing line provided dense and accurate point clouds that followed the theoretical principles of photogrammetry, but also some artifacts were detected. The point clouds from the Photosynth processing were sparser and noisier, which is to a large extent due to the fact that the method is not optimized for dense point cloud generation. Careful photogrammetric processing with self-calibration is required to achieve the highest accuracy. Our results demonstrate the high performance potential of the approach and that with rigorous processing it is possible to reach results that are consistent with theory. We also point out several further research topics. Based on theoretical and empirical results, we give recommendations for properties of imaging sensor, data collection and processing of UAV image data to ensure accurate point cloud generation. PMID:22368479

Point cloud generation from aerial image data acquired by a quadrocopter type micro unmanned aerial vehicle and a digital still camera.

PubMed

Rosnell, Tomi; Honkavaara, Eija

2012-01-01

The objective of this investigation was to develop and investigate methods for point cloud generation by image matching using aerial image data collected by quadrocopter type micro unmanned aerial vehicle (UAV) imaging systems. Automatic generation of high-quality, dense point clouds from digital images by image matching is a recent, cutting-edge step forward in digital photogrammetric technology. The major components of the system for point cloud generation are a UAV imaging system, an image data collection process using high image overlaps, and post-processing with image orientation and point cloud generation. Two post-processing approaches were developed: one of the methods is based on Bae Systems' SOCET SET classical commercial photogrammetric software and another is built using Microsoft(®)'s Photosynth™ service available in the Internet. Empirical testing was carried out in two test areas. Photosynth processing showed that it is possible to orient the images and generate point clouds fully automatically without any a priori orientation information or interactive work. The photogrammetric processing line provided dense and accurate point clouds that followed the theoretical principles of photogrammetry, but also some artifacts were detected. The point clouds from the Photosynth processing were sparser and noisier, which is to a large extent due to the fact that the method is not optimized for dense point cloud generation. Careful photogrammetric processing with self-calibration is required to achieve the highest accuracy. Our results demonstrate the high performance potential of the approach and that with rigorous processing it is possible to reach results that are consistent with theory. We also point out several further research topics. Based on theoretical and empirical results, we give recommendations for properties of imaging sensor, data collection and processing of UAV image data to ensure accurate point cloud generation.

Modelling wetland-groundwater interactions in the boreal Kälväsvaara esker, Northern Finland

NASA Astrophysics Data System (ADS)

Jaros, Anna; Rossi, Pekka; Ronkanen, Anna-Kaisa; Kløve, Bjørn

2016-04-01

Many types of boreal peatland ecosystems such as alkaline fens, aapa mires and Fennoscandia spring fens rely on the presence of groundwater. In these ecosystems groundwater creates unique conditions for flora and fauna by providing water, nutrients and constant water temperature enriching local biodiversity. The groundwater-peatland interactions and their dynamics are not, however, in many cases fully understood and their measurement and quantification is difficult due to highly heterogeneous structure of peatlands and large spatial extend of these ecosystems. Understanding of these interactions and their changes due to anthropogenic impact on groundwater resources would benefit the protection of the groundwater dependent peatlands. The groundwater-peatland interactions were investigated using the fully-integrated physically-based groundwater-surface water code HydroGeoSphere in a case study of the Kälväsvaara esker aquifer, Northern Finland. The Kälväsvaara is a geologically complex esker and it is surrounded by vast aapa mire system including alkaline and springs fens. In addition, numerous small springs occur in the discharge zone of the esker. In order to quantify groundwater-peatland interactions a simple steady-state model was built and results were evaluated using expected trends and field measurements. The employed model reproduced relatively well spatially distributed hydrological variables such as soil water content, water depths and groundwater-surface water exchange fluxes within the wetland and esker areas. The wetlands emerged in simulations as a result of geological and topographical conditions. They could be identified by high saturation levels at ground surface and by presence of shallow ponded water over some areas. The model outputs exhibited also strong surface water-groundwater interactions in some parts of the aapa system. These areas were noted to be regions of substantial diffusive groundwater discharge by the earlier studies. In contrast, the simulations were not able to capture small scale point groundwater discharge i.e. springs. This reflects that modelling small scale groundwater input to wetland ecosystems can be challenging without detailed information on the aquifer and wetland geology. Overall, the good consistency between simulations and observations demonstrated that wetland-groundwater interactions can be studied using fully-integrated physically-based groundwater-surface water models.

Heisenberg scaling with weak measurement: a quantum state discrimination point of view

DTIC Science & Technology

2015-03-18

a quantum state discrimination point of view. The Heisenberg scaling of the photon number for the precision of the interaction parameter between...coherent light and a spin one-half particle (or pseudo-spin) has a simple interpretation in terms of the interaction rotating the quantum state to an...release; distribution is unlimited. Heisenberg scaling with weak measurement: a quantum state discrimination point of view The views, opinions and/or

Food Web Designer: a flexible tool to visualize interaction networks.

PubMed

Sint, Daniela; Traugott, Michael

Species are embedded in complex networks of ecological interactions and assessing these networks provides a powerful approach to understand what the consequences of these interactions are for ecosystem functioning and services. This is mandatory to develop and evaluate strategies for the management and control of pests. Graphical representations of networks can help recognize patterns that might be overlooked otherwise. However, there is a lack of software which allows visualizing these complex interaction networks. Food Web Designer is a stand-alone, highly flexible and user friendly software tool to quantitatively visualize trophic and other types of bipartite and tripartite interaction networks. It is offered free of charge for use on Microsoft Windows platforms. Food Web Designer is easy to use without the need to learn a specific syntax due to its graphical user interface. Up to three (trophic) levels can be connected using links cascading from or pointing towards the taxa within each level to illustrate top-down and bottom-up connections. Link width/strength and abundance of taxa can be quantified, allowing generating fully quantitative networks. Network datasets can be imported, saved for later adjustment and the interaction webs can be exported as pictures for graphical display in different file formats. We show how Food Web Designer can be used to draw predator-prey and host-parasitoid food webs, demonstrating that this software is a simple and straightforward tool to graphically display interaction networks for assessing pest control or any other type of interaction in both managed and natural ecosystems from an ecological network perspective.

Temporal Data Set Reduction Based on D-Optimality for Quantitative FLIM-FRET Imaging.

PubMed

Omer, Travis; Intes, Xavier; Hahn, Juergen

2015-01-01

Fluorescence lifetime imaging (FLIM) when paired with Förster resonance energy transfer (FLIM-FRET) enables the monitoring of nanoscale interactions in living biological samples. FLIM-FRET model-based estimation methods allow the quantitative retrieval of parameters such as the quenched (interacting) and unquenched (non-interacting) fractional populations of the donor fluorophore and/or the distance of the interactions. The quantitative accuracy of such model-based approaches is dependent on multiple factors such as signal-to-noise ratio and number of temporal points acquired when sampling the fluorescence decays. For high-throughput or in vivo applications of FLIM-FRET, it is desirable to acquire a limited number of temporal points for fast acquisition times. Yet, it is critical to acquire temporal data sets with sufficient information content to allow for accurate FLIM-FRET parameter estimation. Herein, an optimal experimental design approach based upon sensitivity analysis is presented in order to identify the time points that provide the best quantitative estimates of the parameters for a determined number of temporal sampling points. More specifically, the D-optimality criterion is employed to identify, within a sparse temporal data set, the set of time points leading to optimal estimations of the quenched fractional population of the donor fluorophore. Overall, a reduced set of 10 time points (compared to a typical complete set of 90 time points) was identified to have minimal impact on parameter estimation accuracy (≈5%), with in silico and in vivo experiment validations. This reduction of the number of needed time points by almost an order of magnitude allows the use of FLIM-FRET for certain high-throughput applications which would be infeasible if the entire number of time sampling points were used.

The equilibrium point hypothesis and its application to speech motor control.

PubMed

Perrier, P; Ostry, D J; Laboissière, R

1996-04-01

In this paper, we address a number of issues in speech research in the context of the equilibrium point hypothesis of motor control. The hypothesis suggests that movements arise from shifts in the equilibrium position of the limb or the speech articulator. The equilibrium is a consequence of the interaction of central neural commands, reflex mechanisms, muscle properties, and external loads, but it is under the control of central neural commands. These commands act to shift the equilibrium via centrally specified signals acting at the level of the motoneurone (MN) pool. In the context of a model of sagittal plane jaw and hyoid motion based on the lambda version of the equilibrium point hypothesis, we consider the implications of this hypothesis for the notion of articulatory targets. We suggest that simple linear control signals may underlie smooth articulatory trajectories. We explore as well the phenomenon of intraarticulator coarticulation in jaw movement. We suggest that even when no account is taken of upcoming context, that apparent anticipatory changes in movement amplitude and duration may arise due to dynamics. We also present a number of simulations that show in different ways how variability in measured kinematics can arise in spite of constant magnitude speech control signals.

A Point Kinetics Model for Estimating Neutron Multiplication of Bare Uranium Metal in Tagged Neutron Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tweardy, Matthew C.; McConchie, Seth; Hayward, Jason P.

An extension of the point kinetics model is developed in this paper to describe the neutron multiplicity response of a bare uranium object under interrogation by an associated particle imaging deuterium-tritium (D-T) measurement system. This extended model is used to estimate the total neutron multiplication of the uranium. Both MCNPX-PoliMi simulations and data from active interrogation measurements of highly enriched and depleted uranium geometries are used to evaluate the potential of this method and to identify the sources of systematic error. The detection efficiency correction for measured coincidence response is identified as a large source of systematic error. If themore » detection process is not considered, results suggest that the method can estimate total multiplication to within 13% of the simulated value. Values for multiplicity constants in the point kinetics equations are sensitive to enrichment due to (n, xn) interactions by D-T neutrons and can introduce another significant source of systematic bias. This can theoretically be corrected if isotopic composition is known a priori. Finally, the spatial dependence of multiplication is also suspected of introducing further systematic bias for high multiplication uranium objects.« less

A Point Kinetics Model for Estimating Neutron Multiplication of Bare Uranium Metal in Tagged Neutron Measurements

DOE PAGES

Tweardy, Matthew C.; McConchie, Seth; Hayward, Jason P.

2017-06-13

An extension of the point kinetics model is developed in this paper to describe the neutron multiplicity response of a bare uranium object under interrogation by an associated particle imaging deuterium-tritium (D-T) measurement system. This extended model is used to estimate the total neutron multiplication of the uranium. Both MCNPX-PoliMi simulations and data from active interrogation measurements of highly enriched and depleted uranium geometries are used to evaluate the potential of this method and to identify the sources of systematic error. The detection efficiency correction for measured coincidence response is identified as a large source of systematic error. If themore » detection process is not considered, results suggest that the method can estimate total multiplication to within 13% of the simulated value. Values for multiplicity constants in the point kinetics equations are sensitive to enrichment due to (n, xn) interactions by D-T neutrons and can introduce another significant source of systematic bias. This can theoretically be corrected if isotopic composition is known a priori. Finally, the spatial dependence of multiplication is also suspected of introducing further systematic bias for high multiplication uranium objects.« less

Basin stability measure of different steady states in coupled oscillators

NASA Astrophysics Data System (ADS)

Rakshit, Sarbendu; Bera, Bidesh K.; Majhi, Soumen; Hens, Chittaranjan; Ghosh, Dibakar

2017-04-01

In this report, we investigate the stabilization of saddle fixed points in coupled oscillators where individual oscillators exhibit the saddle fixed points. The coupled oscillators may have two structurally different types of suppressed states, namely amplitude death and oscillation death. The stabilization of saddle equilibrium point refers to the amplitude death state where oscillations are ceased and all the oscillators converge to the single stable steady state via inverse pitchfork bifurcation. Due to multistability features of oscillation death states, linear stability theory fails to analyze the stability of such states analytically, so we quantify all the states by basin stability measurement which is an universal nonlocal nonlinear concept and it interplays with the volume of basins of attractions. We also observe multi-clustered oscillation death states in a random network and measure them using basin stability framework. To explore such phenomena we choose a network of coupled Duffing-Holmes and Lorenz oscillators which are interacting through mean-field coupling. We investigate how basin stability for different steady states depends on mean-field density and coupling strength. We also analytically derive stability conditions for different steady states and confirm by rigorous bifurcation analysis.

Families of one-point interactions resulting from the squeezing limit of the sum of two- and three-delta-like potentials

NASA Astrophysics Data System (ADS)

Zolotaryuk, A. V.

2017-06-01

Several families of one-point interactions are derived from the system consisting of two and three δ-potentials which are regularized by piecewise constant functions. In physical terms such an approximating system represents two or three extremely thin layers separated by some distance. The two-scale squeezing of this heterostructure to one point as both the width of δ-approximating functions and the distance between these functions simultaneously tend to zero is studied using the power parameterization through a squeezing parameter \\varepsilon \\to 0 , so that the intensity of each δ-potential is cj =aj \\varepsilon1-μ , aj \\in {R} , j  =  1, 2, 3, the width of each layer l =\\varepsilon and the distance between the layers r = c\\varepsilon^τ , c  >  0. It is shown that at some values of the intensities a 1, a 2 and a 3, the transmission across the limit point potentials is non-zero, whereas outside these (resonance) values the one-point interactions are opaque splitting the system at the point of singularity into two independent subsystems. Within the interval 1 < μ < 2 , the resonance sets consist of two curves on the (a_1, a_2) -plane and three surfaces in the (a_1, a_2, a_3) -space. As the parameter μ approaches the value μ =2 , three types of splitting the one-point interactions into countable families are observed.

Insights on the solubility of CO2 in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide from the microscopic point of view.

PubMed

Lourenço, Tuanan C; Coelho, Mariny F C; Ramalho, Teodorico C; van der Spoel, David; Costa, Luciano T

2013-07-02

Emissions of greenhouse gases due to human activities have been well documented as well as the effects on global warming resulting from it. Efforts to reduce greenhouse gases at the source are crucial to curb climate change, but due to insignificant economic incentives to reduce usage of fossil fuels, not a lot of progress has been made by this route. This necessitates additional measures to reduce the occurrence of greenhouse gases in the atmosphere. Here we used theoretical methods to study the solubility of carbon dioxide in ionic liquids (ILs) since sequestration of CO2 in ILs has been proposed as a possible technology for reducing the emissions of CO2 to the atmosphere. Ionic liquids form a class of solvents with melting temperatures below 100 °C and, due to very low vapor pressures, which are not volatile. We have performed molecular dynamics (MD) simulations of 1-ethyl-3-methylimidazolium (C2mim) bis(trifluoromethylsulfonyl)imide (Tf2N) and its mixtures with carbon dioxide in order to investigate the CO2 concentration effect on the CO2-cation and CO2-anion interactions. A systematic investigation of CO2 concentration effects on resulting equilibrium liquid structure, and the local environment of the ions is provided. The Quantum Theory of Atoms in Molecules (QTAIM) was used to determine the interaction energy for CO2-cation and CO2-anion complexes from uncorrelated structures derived from MD simulations. A spatial distribution function analysis demonstrates the specific interactions between CO2 and the ionic liquid. Our findings indicate that the total volume of the system increases with the CO2 concentration, with a molar volume of CO2 of about 0.038 L/mol, corresponding to liquid CO2 under a pressure of 100 bar. In other words, the IL effectively pressurizes the CO2 inside its matrix. The thermodynamics of CO2 solvation in C2 min-Tf2N were computed using free energy techniques, and the solubility of CO2 is found to be higher in this IL (-3.7 ± 1 kcal/mol) than in water (+0.2 kJ/mol), predominantly due to anion-CO2 interactions.

Electron phonon interactions and intrinsic nonadiabatic state of superconductors

NASA Astrophysics Data System (ADS)

Baňacký, Pavol

2007-09-01

Study of band structure of YBa 2Cu 3O 7 has shown that electron coupling to A g, B 2g and B 3g modes results in fluctuation of saddle point of one of the CuO plane d-pσ band in Y point of 1st BZ across Fermi level. It represents breakdown of adiabatic Born-Oppenheimer approximation and transition of the system into intrinsic nonadiabatic state, ω > EF. Results show that system is stabilized in this state at distorted nuclear geometry. Stabilization effect is mainly due to strong dependence of the electronic motion on instantaneous nuclear momenta. On the lattice scale, the intrinsic nonadiabatic state is geometrically degenerate at broken translation symmetry - system has fluxional nuclear configuration of O2, O3 atoms in CuO planes. It enables formation of mobile bipolarons that can move in the lattice without dissipation. Described effects are absent in non-superconducting YBa 2Cu 3O 6.

Effects of thermal noise on the transitional dynamics of an inextensible elastic filament in stagnation flow.

PubMed

Deng, Mingge; Grinberg, Leopold; Caswell, Bruce; Karniadakis, George Em

2015-06-28

We investigate the dynamics of a single inextensible elastic filament subject to anisotropic friction in a viscous stagnation-point flow, by employing both a continuum model represented by Langevin type stochastic partial differential equations (SPDEs) and a dissipative particle dynamics (DPD) method. Unlike previous works, the filament is free to rotate and the tension along the filament is determined by the local inextensible constraint. The kinematics of the filament is recorded and studied with normal modes analysis. The results show that the filament displays an instability induced by negative tension, which is analogous to Euler buckling of a beam. Symmetry breaking of normal modes dynamics and stretch-coil transitions are observed above the threshold of the buckling instability point. Furthermore, both temporal and spatial noise are amplified resulting from the interaction of thermal fluctuations and nonlinear filament dynamics. Specifically, the spatial noise is amplified with even normal modes being excited due to symmetry breaking, while the temporal noise is amplified with increasing time correlation length and variance.

Effects of distractors and force feedback on an aimed movement task in a CDTI environment

NASA Astrophysics Data System (ADS)

Monk, Kevin J., II

New onboard technologies will be required for future cockpits to support the altered responsibilities of pilots under the NextGen program. Effective Cockpit Displays of Information (CD Tis) should provide more flexibility to pilots en route and reduce the probability of conflicts. However, precise input from pilots can be difficult due to the unstable environment in the cockpit. The present study used a non-traditional input device (Novint Falcon) to examine the effect of force feedback on operator performance during point-and-click movements in a CDTI environment when distractors are present. Twelve participants performed point-and-click tasks with varying amounts of force feedback, distractor locations, target sizes, distances, and movement directions. Overall movement times (OMTs) were recorded. Results demonstrated that force feedback did not reduce or match OMTs relative to the computer mouse. However, significant interactions with other target variables highlighted conditional differences between the force levels, as well as distractor effects.

Numerical modeling and simulation studies for the M4 adaptive mirror of the E-ELT

NASA Astrophysics Data System (ADS)

Carbillet, Marcel; Riccardi, Armando; Xompero, Marco

2012-07-01

We report in this paper on the progress of numerical modeling and simulation studies of the M4 adaptive mirror, a representative of the "adaptive secondary mirrors" technology, for the European Extremely Large Telescope (E-ELT). This is based on both dedicated routines and the existing code of the Software Package CADS. The points approached are basically the specific problems encountered with this particular type of voice-coil adaptive mirrors on the E-ELT: (*) the segmentation of the adaptive mirror, implying a fitting error due also to the edges of its six petals, as well as possible co-phasing problems to be evaluated in terms of interaction with the wavefront sensor (a pyramid here); (**) the necessary presence of "master" and "slave" actuators which management, in terms of wavefront reconstruction, implies to consider different strategies. The on-going work being performed for the two above points is described in details, and some preliminary results are given.

Fault geometric complexity and how it may cause temporal slip-rate variation within an interacting fault system

NASA Astrophysics Data System (ADS)

Zielke, Olaf; Arrowsmith, Ramon

2010-05-01

Slip-rates along individual faults may differ as a function of measurement time scale. Short-term slip-rates may be higher than the long term rate and vice versa. For example, vertical slip-rates along the Wasatch Fault, Utah are 1.7+/-0.5 mm/yr since 6ka, <0.6 mm/yr since 130ka, and 0.5-0.7 mm/yr since 10Ma (Friedrich et al., 2003). Following conventional earthquake recurrence models like the characteristic earthquake model, this observation implies that the driving strain accumulation rates may have changed over the respective time scales as well. While potential explanations for such slip-rate variations may be found for example in the reorganization of plate tectonic motion or mantle flow dynamics, causing changes in the crustal velocity field over long spatial wavelengths, no single geophysical explanation exists. Temporal changes in earthquake rate (i.e., event clustering) due to elastic interactions within a complex fault system may present an alternative explanation that requires neither variations in strain accumulation rate or nor changes in fault constitutive behavior for frictional sliding. In the presented study, we explore this scenario and investigate how fault geometric complexity, fault segmentation and fault (segment) interaction affect the seismic behavior and slip-rate along individual faults while keeping tectonic stressing-rate and frictional behavior constant in time. For that, we used FIMozFric--a physics-based numerical earthquake simulator, based on Okada's (1992) formulations for internal displacements and strains due to shear and tensile faults in a half-space. Faults are divided into a large number of equal-sized fault patches which communicate via elastic interaction, allowing implementation of geometrically complex, non-planar faults. Each patch has assigned a static and dynamic friction coefficient. The difference between those values is a function of depth--corresponding to the temperature-dependence of velocity-weakening that is observed in laboratory friction experiments and expressed in an [a-b] term in Rate-State-Friction (RSF) theory. Patches in the seismic zone are incrementally loaded during the interseismic phase. An earthquake initiates if shear stress along at least one (seismic) patch exceeds its static frictional strength and may grow in size due to elastic interaction with other fault patches (static stress transfer). Aside from investigating slip-rate variations due to the elastic interactions within a fault system with this tool, we want to show how such modeling results can be very useful in exploring the physics underlying the patterns that the paleoseismology sees and that those methods (simulation and observations) can be merged, with both making important contributions. Using FIMozFric, we generated synthetic seismic records for a large number of fault geometries and structural scenarios to investigate along-fault slip accumulation patterns and the variability of slip at a point. Our simulations show that fault geometric complexity and the accompanied fault interactions and multi-fault ruptures may cause temporal deviations from the average fault slip-rate, in other words phases of earthquake clustering or relative quiescence. Slip-rates along faults within an interacting fault system may change even when the loading function (stressing rate) remains constant and the magnitude of slip rate change is suggested to be proportional to the magnitude of fault interaction. Thus, spatially isolated and structurally mature faults are expected to experience less slip-rate changes than strongly interacting and less mature faults. The magnitude of slip-rate change may serve as a proxy for the magnitude of fault interaction and vice versa.

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures

PubMed Central

Deng, Tianqi; Su, Haibin

2015-01-01

We develop an orbital-dependent potential to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials. The modulated orbital-dependent potentials are also constructed with non-local screening, multi-layer screening, and finite gap due to the coupling with substrates. We apply the excitonic Hamiltonian in coordinate-space with developed effective electron-hole interacting potentials to compute excitons’ binding strength at M (π band) and Γ (σ band) points in graphene and its associated multi-layer forms. The orbital-dependent potential provides a range-separated property for regulating both long- and short-range interactions. This accounts for the existence of the resonant π exciton in single- and bi-layer graphenes. The remarkable strong electron-hole interaction in σ orbitals plays a decisive role in the existence of σ exciton in graphene stack at room temperature. The interplay between gap-opening and screening from substrates shed a light on the weak dependence of σ exciton binding energy on the thickness of graphene stacks. Moreover, the analysis of non-hydrogenic exciton spectrum in quasi-2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process. The understanding of orbital-dependent potential developed in this work is potentially applicable for a wide range of materials with low dimension. PMID:26610715

Unveiling magnetic interactions of ruthenium trichloride via constraining direction of orbital moments: Potential routes to realize a quantum spin liquid

NASA Astrophysics Data System (ADS)

Hou, Y. S.; Xiang, H. J.; Gong, X. G.

2017-08-01

Recent experiments reveal that the honeycomb ruthenium trichloride α -RuC l3 is a prime candidate of the Kitaev quantum spin liquid (QSL). However, there is no theoretical model which can properly describe its experimental dynamical response due to the lack of a full understanding of its magnetic interactions. Here, we propose a general scheme to calculate the magnetic interactions in systems (e.g., α -RuC l3 ) with nonnegligible orbital moments by constraining the directions of orbital moments. With this scheme, we put forward a minimal J1-K1-Γ1-J3-K3 model for α -RuC l3 and find that: (I) The third nearest neighbor (NN) antiferromagnetic Heisenberg interaction J3 stabilizes the zigzag antiferromagnetic order; (II) The NN symmetric off-diagonal exchange Γ1 plays a pivotal role in determining the preferred direction of magnetic moments and generating the spin wave gap. An exact diagonalization study on this model shows that the Kitaev QSL can be realized by suppressing the NN symmetric off-diagonal exchange Γ1 and the third NN Heisenberg interaction J3. Thus, we not only propose a powerful general scheme for investigating the intriguing magnetism of Jeff=1 /2 magnets, but also point out future directions for realizing the Kitaev QSL in the honeycomb ruthenium trichloride α -RuC l3 .

Statistical physics of human cooperation

NASA Astrophysics Data System (ADS)

Perc, Matjaž; Jordan, Jillian J.; Rand, David G.; Wang, Zhen; Boccaletti, Stefano; Szolnoki, Attila

2017-05-01

Extensive cooperation among unrelated individuals is unique to humans, who often sacrifice personal benefits for the common good and work together to achieve what they are unable to execute alone. The evolutionary success of our species is indeed due, to a large degree, to our unparalleled other-regarding abilities. Yet, a comprehensive understanding of human cooperation remains a formidable challenge. Recent research in the social sciences indicates that it is important to focus on the collective behavior that emerges as the result of the interactions among individuals, groups, and even societies. Non-equilibrium statistical physics, in particular Monte Carlo methods and the theory of collective behavior of interacting particles near phase transition points, has proven to be very valuable for understanding counterintuitive evolutionary outcomes. By treating models of human cooperation as classical spin models, a physicist can draw on familiar settings from statistical physics. However, unlike pairwise interactions among particles that typically govern solid-state physics systems, interactions among humans often involve group interactions, and they also involve a larger number of possible states even for the most simplified description of reality. The complexity of solutions therefore often surpasses that observed in physical systems. Here we review experimental and theoretical research that advances our understanding of human cooperation, focusing on spatial pattern formation, on the spatiotemporal dynamics of observed solutions, and on self-organization that may either promote or hinder socially favorable states.

The Distribution of Galaxies’ Gravitational Field Stemming from Their Tidal Interaction

NASA Astrophysics Data System (ADS)

Stephanovich, Vladimir; Godłowski, Włodzimierz

2015-09-01

We calculate the distribution function of astronomical objects’ (like galaxies and/or smooth halos of different kinds) gravitational fields due to their tidal interaction. For that we apply the statistical method of Chandrasekhar, used originally to calculate the famous Holtzmark distribution. We show that in our approach the distribution function is never Gaussian, its form being dictated by the potential of interaction between objects. This calculation permits us to perform a theoretical analysis of the relation between angular momentum and mass (richness) of the galaxy clusters. To do so, we follow the ideas of Catelan & Theuns and Heavens & Peacock. The main difference is that here we reduce the problem to a discrete many-body case, where all physical properties of the system are determined by the interaction potential V({{\\boldsymbol{r}}}{ij}). The essence of reduction is that we use the multipole (up to quadrupole here) expansion of Newtonian potential so that all hydrodynamic, “extended” characteristics of an object, such as its density mass, are “integrated out,” leaving its “point-like” characteristics, such as mass and quadrupole moment. In that sense we do not distinguish between galaxies and smooth components such as halos. We compare our theoretical results with observational data.

MODELING TIME DISPERSION DUE TO OPTICAL PATH LENGTH DIFFERENCES IN SCINTILLATION DETECTORS*

PubMed Central

Moses, W.W.; Choong, W.-S.; Derenzo, S.E.

2015-01-01

We characterize the nature of the time dispersion in scintillation detectors caused by path length differences of the scintillation photons as they travel from their generation point to the photodetector. Using Monte Carlo simulation, we find that the initial portion of the distribution (which is the only portion that affects the timing resolution) can usually be modeled by an exponential decay. The peak amplitude and decay time depend both on the geometry of the crystal, the position within the crystal that the scintillation light originates from, and the surface finish. In a rectangular parallelpiped LSO crystal with 3 mm × 3 mm cross section and polished surfaces, the decay time ranges from 10 ps (for interactions 1 mm from the photodetector) up to 80 ps (for interactions 50 mm from the photodetector). Over that same range of distances, the peak amplitude ranges from 100% (defined as the peak amplitude for interactions 1 mm from the photodetector) down to 4% for interactions 50 mm from the photodetector. Higher values for the decay time are obtained for rough surfaces, but the exact value depends on the simulation details. Estimates for the decay time and peak amplitude can be made for different cross section sizes via simple scaling arguments. PMID:25729464

Modeling Time Dispersion Due to Optical Path Length Differences in Scintillation Detectors

DOE PAGES

Moses, W. W.; Choong, W. -S.; Derenzo, S. E.

2014-08-20

In this paper, we characterize the nature of the time dispersion in scintillation detectors caused by path length differences of the scintillation photons as they travel from their generation point to the photodetector. Using Monte Carlo simulation, we find that the initial portion of the distribution (which is the only portion that affects the timing resolution) can usually be modeled by an exponential decay. The peak amplitude and decay time depend both on the geometry of the crystal, the position within the crystal that the scintillation light originates from, and the surface finish. In a rectangular parallelpiped LSO crystal withmore » 3 mm × 3 mm cross section and polished surfaces, the decay time ranges from 10 ps (for interactions 1 mm from the photodetector) up to 80 ps (for interactions 50 mm from the photodetector). Over that same range of distances, the peak amplitude ranges from 100% (defined as the peak amplitude for interactions 1 mm from the photodetector) down to 4% for interactions 50 mm from the photodetector. Higher values for the decay time are obtained for rough surfaces, but the exact value depends on the simulation details. Finally, estimates for the decay time and peak amplitude can be made for different cross section sizes via simple scaling arguments.« less

Interaction of collagen with chlorosulphonated paraffin tanning agents: Fourier transform infrared spectroscopic analysis and molecular dynamics simulations.

PubMed

Monti, Susanna; Bramanti, Emilia; Della Porta, Valentina; Onor, Massimo; D'Ulivo, Alessandro; Barone, Vincenzo

2013-09-21

The binding of chlorosulphonated paraffins to collagen triple helices is studied by means of classical molecular dynamics simulations and experimental spectroscopic techniques in order to disclose the principal characteristics of their interaction during the leather fattening process. Indeed, collagen is the main target to develop new leather modifying agents with specific characteristics, and an accurate design of the collagen binders, supported by predictive computational strategies, could be a successful tool to obtain new effective eco-compatible compounds able to impart to the leather the required functionalities and distinctive mechanical properties. Possible effects caused by the tanning agents on the collagen matrix have been identified from both experimental and theoretical points of view. Computational data in agreement with experiment have revealed that chlorosulphonated paraffins can interact favorably with the collagen residues having amine groups in their side chains (Arg, Lys, Asn and Gln) and reduce the tendency of the solvated collagen matrix to swell. However, the interference of chlorosulphonated paraffins with the unfolding process, which is operated mainly by the action of water, can be due both to covalent cross-linking of the collagen chains and intermolecular hydrogen bonding interactions involving also the hydroxyl groups of Hyp, Ser and Thr residues.

Montmorillonite clay alters toxicity of silver nanoparticles in zebrafish (Danio rerio) eleutheroembryo.

PubMed

Gupta, Govind Sharan; Dhawan, Alok; Shanker, Rishi

2016-11-01

An exponential development in the use of silver nanoparticles (AgNPs) in consumer products has accelerated their release in aquatic environment. As the AgNPs enters into the aquatic systems, their fate may change due to interactions with abiotic (e.g. clay particles) or biotic factors. The abundantly present clay particles are expected to more prone for interaction with nanoparticles in aquatic systems. In the present study, it is demonstrated that AgNPs interacts with clay particles and forms heteroagglomerates. Furthermore, an impact on toxicity potential of AgNPs after interactions with clay particles was assessed by using zebrafish eleutheroembryos (72 h post hatching) as an in vivo model. The mortality rate of zebrafish eleutheroembryos was higher in case of exposure to AgNPs-clay complexes (pH 4.0 and 7.0) as compared to bare AgNPs. In addition, at earlier time points, the eleutheroembryos expressed higher levels of morphological changes in tail, yolk and pericardia, but the edema in yolk sac was followed by cell death. It can be concluded from the observations made in the present study that the inorganic colloids in the aquatic matrices can alter the fate and toxicity potential of nanoparticles. Copyright © 2016 Elsevier Ltd. All rights reserved.

Specific RNA-protein interactions detected with saturation transfer difference NMR.

PubMed

Harris, Kimberly A; Shekhtman, Alexander; Agris, Paul F

2013-08-01

RNA, at the forefront of biochemical research due to its central role in biology, is recognized by proteins through various mechanisms. Analysis of the RNA-protein interface provides insight into the recognition determinants and function. As such, there is a demand for developing new methods to characterize RNA-protein interactions. Saturation transfer difference (STD) NMR can identify binding ligands for proteins in a rather short period of time, with data acquisitions of just a few hours. Two RNA-protein systems involved in RNA modification were studied using STD NMR. The N (6)-threonylcarbamoyltransferase, YrdC, with nucleoside-specific recognition, was shown to bind the anticodon stem-loop of tRNA(Lys)UUU. The points of contact on the RNA were assigned and a binding interface was identified. STD NMR was also applied to the interaction of the archaeal ribosomal protein, L7Ae, with the box C/D K-turn RNA. The distinctiveness of the two RNA-protein interfaces was evident. Both RNAs exhibited strong STD signals indicative of direct contact with the respective protein, but reflected the nature of recognition. Characterization of nucleic acid recognition determinants traditionally involves cost and time prohibitive methods. This approach offers significant insight into interaction interfaces fairly rapidly, and complements existing structural methods.

Electromagnetic fields and Green's functions in elliptical vacuum chambers

NASA Astrophysics Data System (ADS)

Persichelli, S.; Biancacci, N.; Migliorati, M.; Palumbo, L.; Vaccaro, V. G.

2017-10-01

In this paper, we discuss the electromagnetic interaction between a point charge travelling inside a waveguide of elliptical cross section, and the waveguide itself. By using a convenient expansion of the Mathieu functions, useful in particular for treating a variety of problems in applied mathematics and physics with elliptic geometry, we first obtain the longitudinal electromagnetic field of a point charge (Green's function) in free space in terms of elliptical coordinates. This expression allows, then, to calculate the scattered field due to the boundary conditions in our geometry. By summing the contribution of the direct or primary field and the indirect field scattered by the boundary, after a careful choice of some expansion expressions, we derive a novel formula of the longitudinal electric field, in any transverse position of the elliptical cross section, generated by the charge moving along the longitudinal axis of the waveguide. The obtained expression is represented in a closed form, it can be differentiated and integrated, it can be used to fully describe the radiation process of a particle beam travelling inside a waveguide of elliptical cross section, and it is valid for any elliptic geometry. The equations are used to evaluate the coupling impedance due to indirect space charge in case of elliptical geometry. In addition, they are useful as preliminary studies for the determination of the coupling impedance in different cases involving elliptic vacuum chambers, as, for example, the effect of the finite conductivity of the beam pipe wall or the geometrical variation of the vacuum chamber due to elliptic step transitions existing in some accelerators.

Electromagnetic fields and Green’s functions in elliptical vacuum chambers

DOE PAGES

Persichelli, S.; Biancacci, N.; Migliorati, M.; ...

2017-10-23

In this paper, we discuss the electromagnetic interaction between a point charge travelling inside a waveguide of elliptical cross section, and the waveguide itself. By using a convenient expansion of the Mathieu functions, useful in particular for treating a variety of problems in applied mathematics and physics with elliptic geometry, we first obtain the longitudinal electromagnetic field of a point charge (Green's function) in free space in terms of elliptical coordinates. This expression allows, then, to calculate the scattered field due to the boundary conditions in our geometry. By summing the contribution of the direct or primary field and themore » indirect field scattered by the boundary, after a careful choice of some expansion expressions, we derive a novel formula of the longitudinal electric field, in any transverse position of the elliptical cross section, generated by the charge moving along the longitudinal axis of the waveguide. The obtained expression is represented in a closed form, it can be differentiated and integrated, it can be used to fully describe the radiation process of a particle beam travelling inside a waveguide of elliptical cross section, and it is valid for any elliptic geometry. The equations are used to evaluate the coupling impedance due to indirect space charge in case of elliptical geometry. In addition, they are useful as preliminary studies for the determination of the coupling impedance in different cases involving elliptic vacuum chambers, as, for example, the effect of the finite conductivity of the beam pipe wall or the geometrical variation of the vacuum chamber due to elliptic step transitions existing in some accelerators.« less

Electromagnetic fields and Green’s functions in elliptical vacuum chambers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Persichelli, S.; Biancacci, N.; Migliorati, M.

In this paper, we discuss the electromagnetic interaction between a point charge travelling inside a waveguide of elliptical cross section, and the waveguide itself. By using a convenient expansion of the Mathieu functions, useful in particular for treating a variety of problems in applied mathematics and physics with elliptic geometry, we first obtain the longitudinal electromagnetic field of a point charge (Green's function) in free space in terms of elliptical coordinates. This expression allows, then, to calculate the scattered field due to the boundary conditions in our geometry. By summing the contribution of the direct or primary field and themore » indirect field scattered by the boundary, after a careful choice of some expansion expressions, we derive a novel formula of the longitudinal electric field, in any transverse position of the elliptical cross section, generated by the charge moving along the longitudinal axis of the waveguide. The obtained expression is represented in a closed form, it can be differentiated and integrated, it can be used to fully describe the radiation process of a particle beam travelling inside a waveguide of elliptical cross section, and it is valid for any elliptic geometry. The equations are used to evaluate the coupling impedance due to indirect space charge in case of elliptical geometry. In addition, they are useful as preliminary studies for the determination of the coupling impedance in different cases involving elliptic vacuum chambers, as, for example, the effect of the finite conductivity of the beam pipe wall or the geometrical variation of the vacuum chamber due to elliptic step transitions existing in some accelerators.« less

Methods for the In Vitro Characterization of Nanomedicines—Biological Component Interaction

PubMed Central

Fornaguera, Cristina; Solans, Conxita

2017-01-01

The design of colloidal nanosystems intended for biomedical applications, specifically in the field of personalized medicine, has increased notably in the last years. Consequently, a variety of characterization techniques devoted to studying nanomedicine interactions with proteins and cells have been developed, since a deep characterization of nanosystems is required before starting preclinical and clinical studies. In this context, this review aims to summarize the main techniques used to assess the interaction of nanomedicines with biological systems, highlighting their advantages and disadvantages. Testing designed nanomaterials with these techniques is required in order to have more information about their behavior on a physiological environment. Moreover, techniques used to study the interaction of nanomedicines with proteins, such as albumin and fibrinogen, are summarized. These interactions are not desired, since they usually are the first signal to the body for the activation of the immune system, which leads to the clearance of the exogenous components. On the other hand, techniques for studying the cell toxicity of nanosystems are also summarized, since this information is required before starting preclinical steps. The translation of knowledge from novel designed nanosystems at a research laboratory scale to real human therapies is usually a limiting or even a final point due to the lack of systematic studies regarding these two aspects: nanoparticle interaction with biological components and nanoparticle cytotoxicity. In conclusion, this review will be a useful support for those scientists aiming to develop nanosystems for nanomedicine purposes. PMID:28134833

Detecting signals of drug-drug interactions in a spontaneous reports database.

PubMed

Thakrar, Bharat T; Grundschober, Sabine Borel; Doessegger, Lucette

2007-10-01

The spontaneous reports database is widely used for detecting signals of ADRs. We have extended the methodology to include the detection of signals of ADRs that are associated with drug-drug interactions (DDI). In particular, we have investigated two different statistical assumptions for detecting signals of DDI. Using the FDA's spontaneous reports database, we investigated two models, a multiplicative and an additive model, to detect signals of DDI. We applied the models to four known DDIs (methotrexate-diclofenac and bone marrow depression, simvastatin-ciclosporin and myopathy, ketoconazole-terfenadine and torsades de pointes, and cisapride-erythromycin and torsades de pointes) and to four drug-event combinations where there is currently no evidence of a DDI (fexofenadine-ketoconazole and torsades de pointes, methotrexade-rofecoxib and bone marrow depression, fluvastatin-ciclosporin and myopathy, and cisapride-azithromycine and torsade de pointes) and estimated the measure of interaction on the two scales. The additive model correctly identified all four known DDIs by giving a statistically significant (P < 0.05) positive measure of interaction. The multiplicative model identified the first two of the known DDIs as having a statistically significant or borderline significant (P < 0.1) positive measure of interaction term, gave a nonsignificant positive trend for the third interaction (P = 0.27), and a negative trend for the last interaction. Both models correctly identified the four known non interactions by estimating a negative measure of interaction. The spontaneous reports database is a valuable resource for detecting signals of DDIs. In particular, the additive model is more sensitive in detecting such signals. The multiplicative model may further help qualify the strength of the signal detected by the additive model.

Detecting signals of drug–drug interactions in a spontaneous reports database

PubMed Central

Thakrar, Bharat T; Grundschober, Sabine Borel; Doessegger, Lucette

2007-01-01

Aims The spontaneous reports database is widely used for detecting signals of ADRs. We have extended the methodology to include the detection of signals of ADRs that are associated with drug–drug interactions (DDI). In particular, we have investigated two different statistical assumptions for detecting signals of DDI. Methods Using the FDA's spontaneous reports database, we investigated two models, a multiplicative and an additive model, to detect signals of DDI. We applied the models to four known DDIs (methotrexate-diclofenac and bone marrow depression, simvastatin-ciclosporin and myopathy, ketoconazole-terfenadine and torsades de pointes, and cisapride-erythromycin and torsades de pointes) and to four drug-event combinations where there is currently no evidence of a DDI (fexofenadine-ketoconazole and torsades de pointes, methotrexade-rofecoxib and bone marrow depression, fluvastatin-ciclosporin and myopathy, and cisapride-azithromycine and torsade de pointes) and estimated the measure of interaction on the two scales. Results The additive model correctly identified all four known DDIs by giving a statistically significant (P< 0.05) positive measure of interaction. The multiplicative model identified the first two of the known DDIs as having a statistically significant or borderline significant (P< 0.1) positive measure of interaction term, gave a nonsignificant positive trend for the third interaction (P= 0.27), and a negative trend for the last interaction. Both models correctly identified the four known non interactions by estimating a negative measure of interaction. Conclusions The spontaneous reports database is a valuable resource for detecting signals of DDIs. In particular, the additive model is more sensitive in detecting such signals. The multiplicative model may further help qualify the strength of the signal detected by the additive model. PMID:17506784

Study on structures and properties of ammonia clusters (NH3)n (n=1-5) and liquid ammonia in terms of ab initio method and atom-bond electronegativity equalization method ammonia-8P fluctuating charge potential model.

PubMed

Yu, Ling; Yang, Zhong-Zhi

2010-05-07

Structures, binding energies, and vibrational frequencies of (NH(3))(n) (n=2-5) isomers and dynamical properties of liquid ammonia have been explored using a transferable intermolecular potential eight point model including fluctuating charges and flexible body based on a combination of the atom-bond electronegativity equalization and molecular (ABEEM) mechanics (ABEEM ammonia-8P) in this paper. The important feature of this model is to divide the charge sites of one ammonia molecule into eight points region containing four atoms, three sigma bonds, and a lone pair, and allows the charges in system to fluctuate responding to the ambient environment. Due to the explicit descriptions of charges and special treatment of hydrogen bonds, the results of equilibrium geometries, dipole moments, cluster interaction energies, vibrational frequencies for the gas phase of small ammonia clusters, and radial distribution function for liquid ammonia calculated with the ABEEM ammonia-8P potential model are in good agreement with those measured by available experiments and those obtained from high level ab initio calculations. The properties of ammonia dimer are studied in detail involving the structure and one-dimensional, two-dimensional potential energy surface. As for interaction energies, the root mean square deviation is 0.27 kcal/mol, and the linear correlation coefficient reaches 0.994.

Effect of solute concentration on grain boundary migration with segregation in stainless steel and model alloys

NASA Astrophysics Data System (ADS)

Kanda, H.; Hashimoto, N.; Takahashi, H.

The phenomenon of grain boundary migration due to boundary diffusion via vacancies is a well-known process for recrystallization and grain growth during annealing. This phenomenon is known as diffusion-induced grain boundary migration (DIGM) and has been recognized in various binary systems. On the other hand, grain boundary migration often occurs under irradiation. Furthermore, such radiation-induced grain boundary migration (RIGM) gives rise to solute segregation. In order to investigate the RIGM mechanism and the interaction between solutes and point defects during the migration, stainless steel and Ni-Si model alloys were electron-irradiated using a HVEM. RIGM was often observed in stainless steels during irradiation. The migration rate of boundary varied, and three stages of the migration were recognized. At lower temperatures, incubation periods up to the occurrence of the boundary migration were observed prior to first stage. These behaviors were recognized particularly for lower solute containing alloys. From the relation between the migration rates at stage I and inverse temperatures, activation energies for the boundary migration were estimated. In comparison to the activation energy without irradiation, these values were very low. This suggests that the RIGM is caused by the flow of mixed-dumbbells toward the grain boundary. The interaction between solute and point defects and the effective defect concentration generating segregation will be discussed.

Sampling and assessment accuracy in mate choice: a random-walk model of information processing in mating decision.

PubMed

Castellano, Sergio; Cermelli, Paolo

2011-04-07

Mate choice depends on mating preferences and on the manner in which mate-quality information is acquired and used to make decisions. We present a model that describes how these two components of mating decision interact with each other during a comparative evaluation of prospective mates. The model, with its well-explored precedents in psychology and neurophysiology, assumes that decisions are made by the integration over time of noisy information until a stopping-rule criterion is reached. Due to this informational approach, the model builds a coherent theoretical framework for developing an integrated view of functions and mechanisms of mating decisions. From a functional point of view, the model allows us to investigate speed-accuracy tradeoffs in mating decision at both population and individual levels. It shows that, under strong time constraints, decision makers are expected to make fast and frugal decisions and to optimally trade off population-sampling accuracy (i.e. the number of sampled males) against individual-assessment accuracy (i.e. the time spent for evaluating each mate). From the proximate-mechanism point of view, the model makes testable predictions on the interactions of mating preferences and choosiness in different contexts and it might be of compelling empirical utility for a context-independent description of mating preference strength. Copyright © 2011 Elsevier Ltd. All rights reserved.

Equilibrium, metastability, and hysteresis in a model spin-crossover material with nearest-neighbor antiferromagnetic-like and long-range ferromagnetic-like interactions

NASA Astrophysics Data System (ADS)

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji; Omand, Conor; Nishino, Masamichi

2016-02-01

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean-field method for a simplified model of a spin-crossover material with a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S =1 /2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley (equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shaped regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. We believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.

Change Point Detection in Correlation Networks

NASA Astrophysics Data System (ADS)

Barnett, Ian; Onnela, Jukka-Pekka

2016-01-01

Many systems of interacting elements can be conceptualized as networks, where network nodes represent the elements and network ties represent interactions between the elements. In systems where the underlying network evolves, it is useful to determine the points in time where the network structure changes significantly as these may correspond to functional change points. We propose a method for detecting change points in correlation networks that, unlike previous change point detection methods designed for time series data, requires minimal distributional assumptions. We investigate the difficulty of change point detection near the boundaries of the time series in correlation networks and study the power of our method and competing methods through simulation. We also show the generalizable nature of the method by applying it to stock price data as well as fMRI data.

Electric Dipolar Kondo Effect Emerging from a Vibrating Magnetic Ion

NASA Astrophysics Data System (ADS)

Hotta, Takashi; Ueda, Kazuo

2012-06-01

When a magnetic ion vibrates in a metal, it inevitably introduces a new channel of hybridization with conduction electrons, and in general, the vibrating ion induces an electric dipole moment. In such a situation, we find that magnetic and nonmagnetic Kondo effects alternatively occur due to the screening of the spin moment and electric dipole moment of the vibrating ion. In particular, the electric dipolar two-channel Kondo effect is found to occur for a weak Coulomb interaction. We also show that a magnetically robust heavy-electron state appears near the fixed point of the electric dipolar two-channel Kondo effect. We believe that the vibrating magnetic ion opens a new door in Kondo physics.

A fully-integrated aptamer-based affinity assay platform for monitoring astronaut health in space.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xianbin; Durland, Ross H.; Hecht, Ariel H.

2010-07-01

Here we demonstrate the suitability of robust nucleic acid affinity reagents in an integrated point-of-care diagnostic platform for monitoring proteomic biomarkers indicative of astronaut health in spaceflight applications. A model thioaptamer targeting nuclear factor-kappa B (NF-{kappa}B) is evaluated in an on-chip electrophoretic gel-shift assay for human serum. Key steps of (i) mixing sample with the aptamer, (ii) buffer exchange, and (iii) preconcentration of sample were successfully integrated upstream of fluorescence-based detection. Challenges due to (i) nonspecific interactions with serum, and (ii) preconcentration at a nanoporous membrane are discussed and successfully resolved to yield a robust, rapid, and fully-integrated diagnostic system.

Analysis of turbulent synthetic jet by dynamic mode decomposition

NASA Astrophysics Data System (ADS)

Hyhlík, Tomáš; Netřebská, Hana; Devera, Jakub; Kalinay, Radomír

The article deals with the analysis of CFD results of the turbulent synthetic jet. The numerical simulation of Large Eddy Simulation (LES) using commercial solver ANSYS CFX has been performed. The unsteady flow field is studied from the point of view of identification of the moving vortex ring, which has been identified both on the snapshots of flow field using swirling-strength criterion and using the Dynamic Mode Decomposition (DMD) of five periods. It is shown that travelling vortex ring vanishes due to interaction with vortex structures in the synthesised turbulent jet. DMD modes with multiple of the basic frequency of synthetic jet, which are connected with travelling vortex structure, have largest DMD amplitudes.

A theoretical investigation on bio-transformation of third generation anti-cancer drug Heptaplatin and its interaction with DNA purine bases

NASA Astrophysics Data System (ADS)

Reddy B., Venkata P.; Mukherjee, Subhajit; Mitra, Ishani; Moi, Sankar Ch.

2017-12-01

Heptaplatin is an approved platinum based cytostatic drug for the treatment of gastric cancers. The hydrolytic bio-transformation of Heptaplatin and the platination processes of guanine (G) and adenine (A) with resulting mono and di-aquated species of Heptaplatin have been investigated using density functional theory (DFT) combined with the conductor like dielectric continuum model (CPCM) approach, to spotlight the drug activation energy profiles and their binding mechanisms. The stationary points on the potential energy surfaces were fully optimized and characterized. The mono-functional binding of Heptaplatin, guanine as target over adenine due to electronic factors and more favorable hydrogen-bonds pattern.

Antiswarming: Structure and dynamics of repulsive chemically active particles

NASA Astrophysics Data System (ADS)

Yan, Wen; Brady, John F.

2017-12-01

Chemically active Brownian particles with surface catalytic reactions may repel each other due to diffusiophoretic interactions in the reaction and product concentration fields. The system behavior can be described by a "chemical" coupling parameter Γc that compares the strength of diffusiophoretic repulsion to Brownian motion, and by a mapping to the classical electrostatic one component plasma (OCP) system. When confined to a constant-volume domain, body-centered cubic (bcc) crystals spontaneously form from random initial configurations when the repulsion is strong enough to overcome Brownian motion. Face-centered cubic (fcc) crystals may also be stable. The "melting point" of the "liquid-to-crystal transition" occurs at Γc≈140 for both bcc and fcc lattices.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean- field method for a simplified model of a spin-crossovermaterialwith a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S = 1/2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley ( equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shapedmore » regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. As a result, we believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.« less

Perceived Intensity of Emotional Point-Light Displays Is Reduced in Subjects with ASD

ERIC Educational Resources Information Center

Krüger, Britta; Kaletsch, Morten; Pilgramm, Sebastian; Schwippert, Sven-Sören; Hennig, Jürgen; Stark, Rudolf; Lis, Stefanie; Gallhofer, Bernd; Sammer, Gebhard; Zentgraf, Karen; Munzert, Jörn

2018-01-01

One major characteristic of autism spectrum disorder (ASD) is problems with social interaction and communication. The present study explored ASD-related alterations in perceiving emotions expressed via body movements. 16 participants with ASD and 16 healthy controls observed video scenes of human interactions conveyed by point-light displays. They…

Interactive Physical Simulation of Catheter Motion within Mayor Vessel Structures and Cavities for ASD/VSD Treatment

NASA Astrophysics Data System (ADS)

Becherer, Nico; Hesser, Jürgen; Kornmesser, Ulrike; Schranz, Dietmar; Männer, Reinhard

2007-03-01

Simulation systems are becoming increasingly essential in medical education. Hereby, capturing the physical behaviour of the real world requires a sophisticated modelling of instruments within the virtual environment. Most models currently used are not capable of user interactive simulations due to the computation of the complex underlying analytical equations. Alternatives are often based on simplifying mass-spring systems, being able to deliver high update rates that come at the cost of less realistic motion. In addition, most techniques are limited to narrow and tubular vessel structures or restrict shape alterations to two degrees of freedom, not allowing instrument deformations like torsion. In contrast, our approach combines high update rates with highly realistic motion and can in addition be used with respect to arbitrary structures like vessels or cavities (e.g. atrium, ventricle) without limiting the degrees of freedom. Based on energy minimization, bending energies and vessel structures are considered as linear elastic elements; energies are evaluated at regularly spaced points on the instrument, while the distance of the points is fixed, i.e. we simulate an articulated structure of joints with fixed connections between them. Arbitrary tissue structures are modeled through adaptive distance fields and are connected by nodes via an undirected graph system. The instrument points are linked to nodes by a system of rules. Energy minimization uses a Quasi Newton method without preconditioning and, hereby, gradients are estimated using a combination of analytical and numerical terms. Results show a high quality in motion simulation when compared to a phantom model. The approach is also robust and fast. Simulating an instrument with 100 joints runs at 100 Hz on a 3 GHz PC.

The mineralogical consequences and behavior of descending acid-sulfate waters: An example from the Karaha - Telaga Bodas geothermal system, Indonesia

USGS Publications Warehouse

Moore, J.N.; Christenson, B.W.; Allis, R.G.; Browne, P.R.L.; Lutz, S.J.

2004-01-01

Acidic steam condensates in volcanic systems or shallow, oxygenated geothermal environments are typically enriched in SO4 and poor in Cl. These fluids produce distinctive alteration-induced assemblages as they descend. At Karaha - Telaga Bodas, located on the flank of Galunggung Volcano, Indonesia, neutralization of descending acid waters has resulted in the successive appearance of 1) advanced argillic alteration characterized by alunite, clay minerals and pyrite, 2) anhydrite, pyrite and interlayered sheet silicates, and 3) carbonates. Minor tourmaline, fluorite and native sulfur also are present locally, reflecting interactions with discharging magmatic gases. Water rock interactions were modeled at temperatures up to 250??C using the composition of acidic lake water from Telaga Bodas and that of a typical andesite as reactants. The simulations predict mineral distributions consistent with the observed assemblages and a decrease in the freezing-point depression of the fluid with increasing temperature. Fluids trapped in anhydrite, calcite and fluorite display a similar decrease in their freezing-point depressions, from 2.8?? to 1.5??C, as homogenization temperatures increase from 160?? to 205??C. The simulations indicate that the progressive change in fluid composition is due mainly to the incorporation of SO4 into the newly formed hydrothermal minerals. The salinities of fluid inclusions containing Cl-deficient steam condensates are better expressed in terms of H2SO4 equivalents than the commonly used NaCl equivalents. At solute concentrations >1.5 molal, freezing-point depressions represented as NaCl equivalents overestimate the salinity of Cl-poor waters. At lower concentrations, differences between apparent salinities calculated as NaCl and H2SO 4 equivalents are negligible.

Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F2, Cl2, and Br2.

PubMed

Berg, Matthias; Accardi, Antonio; Paulus, Beate; Schmidt, Burkhard

2014-08-21

The present work is concerned with the weak interactions between hydrogen and halogen molecules, i.e., the interactions of pairs H2-X2 with X = F, Cl, Br, which are dominated by dispersion and quadrupole-quadrupole forces. The global minimum of the four-dimensional (4D) coupled cluster with singles and doubles and perturbative triples (CCSD(T)) pair potentials is always a T shaped structure where H2 acts as the hat of the T, with well depths (De) of 1.3, 2.4, and 3.1 kJ/mol for F2, Cl2, and Br2, respectively. MP2/AVQZ results, in reasonable agreement with CCSD(T) results extrapolated to the basis set limit, are used for detailed scans of the potentials. Due to the large difference in the rotational constants of the monomers, in the adiabatic approximation, one can solve the rotational Schrödinger equation for H2 in the potential of the X2 molecule. This yields effective two-dimensional rotationally adiabatic potential energy surfaces where pH2 and oH2 are point-like particles. These potentials for the H2-X2 complexes have global and local minima for effective linear and T-shaped complexes, respectively, which are separated by 0.4-1.0 kJ/mol, where oH2 binds stronger than pH2 to X2, due to higher alignment to minima structures of the 4D-pair potential. Further, we provide fits of an analytical function to the rotationally adiabatic potentials.

Electrostatic screening in classical Coulomb fluids: exponential or power-law decay or both? An investigation into the effect of dispersion interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2006-04-01

It is shown that the nature of the non-electrostatic part of the pair interaction potential in classical Coulomb fluids can have a profound influence on the screening behaviour. Two cases are compared: (i) when the non-electrostatic part equals an arbitrary finite-ranged interaction and (ii) when a dispersion r-6 interaction potential is included. A formal analysis is done in exact statistical mechanics, including an investigation of the bridge function. It is found that the Coulombic r-1 and the dispersion r-6 potentials are coupled in a very intricate manner as regards the screening behaviour. The classical one-component plasma (OCP) is a particularly clear example due to its simplicity and is investigated in detail. When the dispersion r-6 potential is turned on, the screened electrostatic potential from a particle goes from a monotonic exponential decay, exp(-κr)/r, to a power-law decay, r-8, for large r. The pair distribution function acquire, at the same time, an r-10 decay for large r instead of the exponential one. There still remains exponentially decaying contributions to both functions, but these contributions turn oscillatory when the r-6 interaction is switched on. When the Coulomb interaction is turned off but the dispersion r-6 pair potential is kept, the decay of the pair distribution function for large r goes over from the r-10 to an r-6 behaviour, which is the normal one for fluids of electroneutral particles with dispersion interactions. Differences and similarities compared to binary electrolytes are pointed out.

Review of electric discharge microplasmas generated in highly fluctuating fluids: Characteristics and application to nanomaterials synthesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stauss, Sven, E-mail: sven.stauss@plasma.k.u-tokyo.ac.jp; Terashima, Kazuo, E-mail: kazuo@plasma.k.u-tokyo.ac.jp; Muneoka, Hitoshi

2015-05-15

Plasma-based fabrication of novel nanomaterials and nanostructures is indispensible for the development of next-generation electronic devices and for green energy applications. In particular, controlling the interactions between plasmas and materials interfaces, and the plasma fluctuations, is crucial for further development of plasma-based processes and bottom-up growth of nanomaterials. Electric discharge microplasmas generated in supercritical fluids represent a special class of high-pressure plasmas, where fluctuations on the molecular scale influence the discharge properties and the possible bottom-up growth of nanomaterials. This review discusses an anomaly observed for direct current microplasmas generated near the critical point, a local decrease in the breakdownmore » voltage. This anomalous behavior is suggested to be caused by the concomitant decrease of the ionization potential due to the formation of clusters near the critical point, and the formation of extended electron mean free paths caused by the high-density fluctuation near the critical point. It is also shown that in the case of dielectric barrier microdischarges generated close to the critical point, the high-density fluctuation of the supercritical fluid persists. The final part of the review discusses the application of discharges generated in supercritical fluids to synthesis of nanomaterials, in particular, molecular diamond—so-called diamondoids—by microplasmas generated inside conventional batch-type and continuous flow microreactors.« less

Investigating the Impact of Asp181 Point Mutations on Interactions between PTP1B and Phosphotyrosine Substrate

NASA Astrophysics Data System (ADS)

Liu, Mengyuan; Wang, Lushan; Sun, Xun; Zhao, Xian

2014-05-01

Protein tyrosine phosphatase 1B (PTP1B) is a key negative regulator of insulin and leptin signaling, which suggests that it is an attractive therapeutic target in type II diabetes and obesity. The aim of this research is to explore residues which interact with phosphotyrosine substrate can be affected by D181 point mutations and lead to increased substrate binding. To achieve this goal, molecular dynamics simulations were performed on wild type (WT) and two mutated PTP1B/substrate complexes. The cross-correlation and principal component analyses show that point mutations can affect the motions of some residues in the active site of PTP1B. Moreover, the hydrogen bond and energy decomposition analyses indicate that apart from residue 181, point mutations have influence on the interactions of substrate with several residues in the active site of PTP1B.

ISS Local Environment Spectrometers (ISLES)

NASA Technical Reports Server (NTRS)

Krause, Linda Habash; Gilchrist, Brian E.

2014-01-01

In order to study the complex interactions between the space environment surrounding the ISS and the ISS surface materials, we propose to use lowcost, high-TRL plasma sensors on the ISS robotic arm to probe the ISS space environment. During many years of ISS operation, we have been able to condut effective (but not perfect) extravehicular activities (both human and robotic) within the perturbed local ISS space environment. Because of the complexity of the interaction between the ISS and the LEO space environment, there remain important questions, such as differential charging at solar panel junctions (the so-called "triple point" between conductor, dielectric, and space plasma), increased chemical contamination due to ISS surface charging and/or thruster activation, water dumps, etc, and "bootstrap" charging of insulating surfaces. Some compelling questions could synergistically draw upon a common sensor suite, which also leverages previous and current MSFC investments. Specific questions address ISS surface charging, plasma contactor plume expansion in a magnetized drifting plasma, and possible localized contamination effects across the ISS.

Quantized edge modes in atomic-scale point contacts in graphene

NASA Astrophysics Data System (ADS)

Kinikar, Amogh; Phanindra Sai, T.; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

2017-07-01

The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G0 = 2e2/h. At the same time, conductance plateaux at G0/2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.

Atomistic models of vacancy-mediated diffusion in silicon

NASA Astrophysics Data System (ADS)

Dunham, Scott T.; Wu, Can Dong

1995-08-01

Vacancy-mediated diffusion of dopants in silicon is investigated using Monte Carlo simulations of hopping diffusion, as well as analytic approximations based on atomistic considerations. Dopant/vacancy interaction potentials are assumed to extend out to third-nearest neighbor distances, as required for pair diffusion theories. Analysis focusing on the third-nearest neighbor sites as bridging configurations for uncorrelated hops leads to an improved analytic model for vacancy-mediated dopant diffusion. The Monte Carlo simulations of vacancy motion on a doped silicon lattice verify the analytic results for moderate doping levels. For very high doping (≳2×1020 cm-3) the simulations show a very rapid increase in pair diffusivity due to interactions of vacancies with more than one dopant atom. This behavior has previously been observed experimentally for group IV and V atoms in silicon [Nylandsted Larsen et al., J. Appl. Phys. 73, 691 (1993)], and the simulations predict both the point of onset and doping dependence of the experimentally observed diffusivity enhancement.

Coupled spin and electron-phonon interaction at the Tl/Si(111) surface from relativistic first-principles calculations

NASA Astrophysics Data System (ADS)

Garcia-Goiricelaya, Peio; Gurtubay, Idoia G.; Eiguren, Asier

2018-05-01

We investigate the role played by the electron spin and the spin-orbit interaction in the exceptional electron-phonon coupling at the Tl/Si(111) surface. Our first-principles calculations demonstrate that the particular spin pattern of this system dominates the whole low-energy electron-phonon physics, which is remarkably explained by forbidden spin-spin scattering channels. In particular, we show that the strength of the electron-phonon coupling appears drastically weakened for surface states close to the K ¯ and K'¯ valleys, which is unambiguously attributed to the spin polarization through the associated modulation due to the spinor overlaps. However, close to the Γ ¯ point, the particular spin pattern in this area is less effective in damping the electron-phonon matrix elements, and the result is an exceptional strength of the electron-phonon coupling parameter λ ˜1.4 . These results are rationalized by a simple model for the electron-phonon matrix elements including the spinor terms.

Relativistic Hamiltonian dynamics for N point particles

NASA Astrophysics Data System (ADS)

King, M. J.

1980-08-01

The theory is quantized canonically to give a relativistic quantum mechanics for N particles. The existence of such a theory has been in doubt since the proof of the No-interaction theorem. However, such a theory does exist and was generalized. This dynamics is expressed in terms of N + 1 pairs of canonical fourvectors (center-of-momentum variables or CMV). A gauge independent reduction due to N + 3 first class kinematic constraints leads to a 6N + 2 dimensional minimum kinematic phase space, K. The kinematics and dynamics of particles with intrinsic spin were also considered. To this end known constraint techniques were generalized to make use of graded Lie algebras. The (Poincare) invariant Hamiltonian is specified in terms of the gauge invarient variables of K. The covariant worldline variables of each particle were found to be gauge dependent. As such they will usually not satisfy a canonical algebra. An exception exists for free particles. The No-interaction theorem therefore is not violated.

Projectile channeling in chain bundle dusty plasma liquids: Wave excitation and projectile-wave interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Mei-Chu; Tseng, Yu-Ping; I, Lin

2011-03-15

The microscopic channeling dynamics of projectiles in subexcitable chain bundle dusty plasma liquids consisting of long chains of negatively charged dusts suspended in low pressure glow discharges is investigated experimentally using fast video-microscopy. The long distance channeling of the projectile in the channel formed by the surrounding dust chain bundles and the excitation of a narrow wake associated with the elliptical motions of the background dusts are demonstrated. In the high projectile speed regime, the drag force due to wake wave excitation increases with the decreasing projectile speed. The excited wave then leads the slowed down projectile after the projectilemore » speed is decreased below the resonant speed of wave excitation. The wave-projectile interaction causes the increasing projectile drag below the resonant speed and the subsequent oscillation around a descending average level, until the projectile settles down to the equilibrium point. Long distance projectile surfing through the resonant crest trapping by the externally excited large amplitude solitary wave is also demonstrated.« less

Correlated full-field and pointwise temporally resolved measurements of thermomechanical stress inside an operating power transistor

NASA Astrophysics Data System (ADS)

Borza, Dan N.; Gautrelet, Christophe

2015-01-01

The paper describes a measurement system based on time-resolved speckle interferometry, able to record long series of thermally induced full-field deformation maps of die and wire bonds inside an operating power transistor. The origin of the deformation is the transistor heating during its normal operation. The full-field results consist in completely unwrapped deformation maps for out-of-plane displacements greater than 14 μm, with nanometer resolution, in presence of discontinuities due to structural and material inhomogeneity. These measurements are synchronized with the measurement of heatsink temperature and of base-emitter junction temperature, so as to provide data related to several interacting physical parameters. The temporal histories of the displacement are also accessible for any point. They are correlated with the thermal and electrical time series. Mechanical full-field curvatures may also be estimated, making these measurements useful for inspecting physical origins of thermomechanical stresses and for interacting with numerical models used in reliability-related studies.

Macrolide antibiotic interaction and resistance on the bacterial ribosome.

PubMed

Poehlsgaard, Jacob; Douthwaite, Stephen

2003-02-01

Our understanding of the fine structure of many antibiotic target sites has reached a new level of enlightenment in the last couple of years due to the advent, by X-ray crystallography, of high-resolution structures of the bacterial ribosome. Many classes of clinically useful antibiotics bind to the ribosome to inhibit bacterial protein synthesis. Macrolide, lincosamide and streptogramin B (MLSB) antibiotics form one of the largest groups, and bind to the same site on the 50S ribosomal subunit. Here, we review the molecular details of the ribosomal MLSB site to put into perspective the main points from a wealth of biochemical and genetic data that have been collected over several decades. The information is now available to understand, at atomic resolution, how macrolide antibiotics interact with their ribosomal target, how the target is altered to confer resistance, and in which directions we need to look if we are to rationally design better drugs to overcome the extant resistance mechanisms.

Remarkable preservation of terpenoids and record of volatile signalling in plant-animal interactions from Miocene amber.

PubMed

Dutta, Suryendu; Mehrotra, Rakesh C; Paul, Swagata; Tiwari, R P; Bhattacharya, Sharmila; Srivastava, Gaurav; Ralte, V Z; Zoramthara, C

2017-09-08

Plants produce and release a large array of volatile organic compounds that play many ecological functions. These volatile plant metabolites serve as pollinator attractants, herbivore and pathogen repellents and protect plants from abiotic stresses. To date, the geological evolution of these organic compounds remains unknown. The preservation potential of these metabolites in the fossil record is very poor due to their low boiling points. Here we report a series of volatile sesquiterpenoids, including δ-elemene, α-copaene, β-elemene, β-caryophyllene, α-humulene, germacrene D, δ-cadiene and spathunenol, from early Miocene (~17 million year) amber from eastern India. The survival of these unaltered bioterpenoids can be attributed to the existence of extraordinary taphonomic conditions conducive to the preservation of volatile biomolecules through deep time. Furthermore, the occurrence of these volatiles in the early Miocene amber suggests that the plants from this period had evolved metabolic pathways to synthesize these organic molecules to play an active role in forest ecology, especially in plant-animal interactions.

Finite-size effects in Luther-Emery phases of Holstein and Hubbard models

NASA Astrophysics Data System (ADS)

Greitemann, J.; Hesselmann, S.; Wessel, S.; Assaad, F. F.; Hohenadler, M.

2015-12-01

The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable.

Sanctification of Marriage and General Religiousness as Buffers of the Effects of Marital Inequity

PubMed Central

DeMaris, Alfred; Mahoney, Annette; Pargament, Kenneth I.

2011-01-01

Theory suggests that relationship inequity will be associated with less marital and personal distress among the more religious, and that this interaction effect will be stronger for women than men. Data are from 178 married couples experiencing the third trimester of pregnancy of their first biological child. Five outcome variables were assessed for each spouse: marital satisfaction, love, marital conflict, depression, and anxiety. Consistent with equity theory, perceived relative advantage was related in a non-monotonic fashion to all outcomes, with increasing advantage predicting better outcomes up to the equity point, but worse outcomes afterwards. Sanctification of marriage appeared to be a more important moderator of inequity effects than general religiousness. In particular, relative advantage had weaker effects among higher sanctifiers. The influence of relative advantage was also conditioned by gender. Wives’ psychological well-being appeared to be more adversely affected than men’s due to considering oneself overbenefited in the relationship. Moreover, the interaction between sanctification and relative advantage was somewhat stronger for wives. PMID:21984859

Unconventional Bose—Einstein Condensations from Spin-Orbit Coupling

NASA Astrophysics Data System (ADS)

Wu, Cong-Jun; Ian, Mondragon-Shem; Zhou, Xiang-Fa

2011-09-01

According to the “no-node" theorem, the many-body ground state wavefunctions of conventional Bose—Einstein condensations (BEC) are positive-definite, thus time-reversal symmetry cannot be spontaneously broken. We find that multi-component bosons with spin-orbit coupling provide an unconventional type of BECs beyond this paradigm. We focus on a subtle case of isotropic Rashba spin-orbit coupling and the spin-independent interaction. In the limit of the weak confining potential, the condensate wavefunctions are frustrated at the Hartree—Fock level due to the degeneracy of the Rashba ring. Quantum zero-point energy selects the spin-spiral type condensate through the “order-from-disorder" mechanism. In a strong harmonic confining trap, the condensate spontaneously generates a half-quantum vortex combined with the skyrmion type of spin texture. In both cases, time-reversal symmetry is spontaneously broken. These phenomena can be realized in both cold atom systems with artificial spin-orbit couplings generated from atom-laser interactions and exciton condensates in semi-conductor systems.

GaMin’11 – an international inter-laboratory comparison for geochemical CO₂ - saline fluid - mineral interaction experiments

DOE PAGES

Ostertag-Henning, C.; Risse, A.; Thomas, B.; ...

2014-12-31

Due to the strong interest in geochemical CO₂-fluid-rock interaction in the context of geological storage of CO₂ a growing number of research groups have used a variety of different experimental ways to identify important geochemical dissolution or precipitation reactions and – if possible – quantify the rates and extent of mineral or rock alteration. In this inter-laboratory comparison the gas-fluid-mineral reactions of three samples of rock-forming minerals have been investigated by 11 experimental labs. The reported results point to robust identification of the major processes in the experiments by most groups. The dissolution rates derived from the changes in compositionmore » of the aqueous phase are consistent overall, but the variation could be reduced by using similar corrections for changing parameters in the reaction cells over time. The comparison of experimental setups and procedures as well as of data corrections identified potential improvements for future gas-fluid-rock studies.« less

Quantized edge modes in atomic-scale point contacts in graphene.

PubMed

Kinikar, Amogh; Phanindra Sai, T; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K; Krishnamurthy, H R; Jain, Manish; Shenoy, Vijay B; Ghosh, Arindam

2017-07-01

The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G 0  = 2e 2 /h. At the same time, conductance plateaux at G 0 /2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.

SIRT1 interacts with and protects glyceraldehyde-3-phosphate dehydrogenase (GAPDH) from nuclear translocation: Implications for cell survival after irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joo, Hyun-Yoo; Laboratory of Biochemistry, School of Life Sciences and Biotechnology, Korea University, Seoul 136-713; Woo, Seon Rang

2012-08-10

Highlights: Black-Right-Pointing-Pointer SIRT1 serves to retain GAPDH in the cytosol, preventing GAPDH nuclear translocation. Black-Right-Pointing-Pointer When SIRT1 is depleted, GAPDH translocation occurs even in the absence of stress. Black-Right-Pointing-Pointer Upon irradiation, SIRT1 interacts with GAPDH. Black-Right-Pointing-Pointer SIRT1 prevents irradiation-induced nuclear translocation of GAPDH. Black-Right-Pointing-Pointer SIRT1 presence rather than activity is essential for inhibiting GAPDH translocation. -- Abstract: Upon apoptotic stimulation, glyceraldehyde-3-phosphate dehydrogenase (GAPDH), a cytosolic enzyme normally active in glycolysis, translocates into the nucleus and activates an apoptotic cascade therein. In the present work, we show that SIRT1 prevents nuclear translocation of GAPDH via interaction with GAPDH. SIRT1 depletion triggeredmore » nuclear translocation of cytosolic GAPDH even in the absence of apoptotic stress. Such translocation was not, however, observed when SIRT1 enzymatic activity was inhibited, indicating that SIRT1 protein per se, rather than the deacetylase activity of the protein, is required to inhibit GAPDH translocation. Upon irradiation, SIRT1 prevented irradiation-induced nuclear translocation of GAPDH, accompanied by interaction of SIRT1 and GAPDH. Thus, SIRT1 functions to retain GAPDH in the cytosol, protecting the enzyme from nuclear translocation via interaction with these two proteins. This serves as a mechanism whereby SIRT1 regulates cell survival upon induction of apoptotic stress by means that include irradiation.« less

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening

NASA Astrophysics Data System (ADS)

Zavodszky, Maria I.; Sanschagrin, Paul C.; Kuhn, Leslie A.; Korde, Rajesh S.

2002-12-01

For the successful identification and docking of new ligands to a protein target by virtual screening, the essential features of the protein and ligand surfaces must be captured and distilled in an efficient representation. Since the running time for docking increases exponentially with the number of points representing the protein and each ligand candidate, it is important to place these points where the best interactions can be made between the protein and the ligand. This definition of favorable points of interaction can also guide protein structure-based ligand design, which typically focuses on which chemical groups provide the most energetically favorable contacts. In this paper, we present an alternative method of protein template and ligand interaction point design that identifies the most favorable points for making hydrophobic and hydrogen-bond interactions by using a knowledge base. The knowledge-based protein and ligand representations have been incorporated in version 2.0 of SLIDE and resulted in dockings closer to the crystal structure orientations when screening a set of 57 known thrombin and glutathione S-transferase (GST) ligands against the apo structures of these proteins. There was also improved scoring enrichment of the dockings, meaning better differentiation between the chemically diverse known ligands and a ˜15,000-molecule dataset of randomly-chosen small organic molecules. This approach for identifying the most important points of interaction between proteins and their ligands can equally well be used in other docking and design techniques. While much recent effort has focused on improving scoring functions for protein-ligand docking, our results indicate that improving the representation of the chemistry of proteins and their ligands is another avenue that can lead to significant improvements in the identification, docking, and scoring of ligands.

The MV model of the color glass condensate for a finite number of sources including Coulomb interactions

DOE PAGES

McLerran, Larry; Skokov, Vladimir V.

2016-09-19

We modify the McLerran–Venugopalan model to include only a finite number of sources of color charge. In the effective action for such a system of a finite number of sources, there is a point-like interaction and a Coulombic interaction. The point interaction generates the standard fluctuation term in the McLerran–Venugopalan model. The Coulomb interaction generates the charge screening originating from well known evolution in x. Such a model may be useful for computing angular harmonics of flow measured in high energy hadron collisions for small systems. In this study we provide a basic formulation of the problem on a lattice.

Using interactive multimedia e-Books for learning blood cell morphology in pediatric hematology.

PubMed

Hsiao, Chih-Cheng; Tiao, Mao-Meng; Chen, Chih-Cheng

2016-11-14

This prospective study compares the use of interactive multimedia eBooks (IME) with traditional PowerPoint (TPP) for teaching cell morphology of blood and bone marrow. Fifty-one interns from three Taiwan medical schools training by a single teacher in the pediatric hematology department of Kaohsiung Chang Gung Memorial Hospital, Taiwan, participated in this study. 25 interns were allocated for training with a traditional PowerPoint atlas and 26 interns for training with an interactive multimedia eBook atlas. Learning outcomes were examined by pre-test and post-test using the CellQuiz of CellAtlas App. Attitudes and perceptions were collected by survey questions regarding interest, motivation and effectiveness. There was no difference in the pre-test scores between TPP and IME groups (mean score 27.0 versus 27.9, p = 0.807). However, the interns in the interactive multimedia eBook group achieved significantly better scores in the post-test than the ones in the PowerPoint group (mean score 103.2 versus 70.6; p < 0.001). Overall results of interest, motivation and effectiveness were strongly positive in the multimedia eBook group. Our data supports that interactive multimedia eBooks are more effective than PowerPoint to facilitate learning of cell morphology of blood and bone marrow.

Periodontal and inflammatory bowel diseases: Is there evidence of complex pathogenic interactions?

PubMed

Lira-Junior, Ronaldo; Figueredo, Carlos Marcelo

2016-09-21

Periodontal disease and inflammatory bowel disease (IBD) are both chronic inflammatory diseases. Their pathogenesis is mediated by a complex interplay between a dysbiotic microbiota and the host immune-inflammatory response, and both are influenced by genetic and environmental factors. This review aimed to provide an overview of the evidence dealing with a possible pathogenic interaction between periodontal disease and IBD. There seems to be an increased prevalence of periodontal disease in patients with IBD when compared to healthy controls, probably due to changes in the oral microbiota and a higher inflammatory response. Moreover, the induction of periodontitis seems to result in gut dysbiosis and altered gut epithelial cell barrier function, which might contribute to the pathogenesis of IBD. Considering the complexity of both periodontal disease and IBD, it is very challenging to understand the possible pathways involved in their coexistence. In conclusion, this review points to a complex pathogenic interaction between periodontal disease and IBD, in which one disease might alter the composition of the microbiota and increase the inflammatory response related to the other. However, we still need more data derived from human studies to confirm results from murine models. Thus, mechanistic studies are definitely warranted to clarify this possible bidirectional association.

Rotational and fine structure of open-shell molecules in nearly degenerate electronic states

NASA Astrophysics Data System (ADS)

Liu, Jinjun

2018-03-01

An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an asymmetric top, this spectroscopic model includes the energy separation between the two states due to difference potential and zero-point energy difference, as well as the spin-orbit (SO), Coriolis, and electron spin-molecular rotation (SR) interactions. Hamiltonian matrices are computed using orbitally and fully symmetrized case (a) and case (b) basis sets. Intensity formulae and selection rules for rotational transitions between a pair of nearly degenerate states and a nondegenerate state have also been derived using all four basis sets. It is demonstrated using real examples of free radicals that the fine structure of a single electronic state can be simulated with either a SR tensor or a combination of SO and Coriolis constants. The related molecular constants can be determined precisely only when all interacting levels are simulated simultaneously. The present study suggests that analysis of rotational and fine structure can provide quantitative insights into vibronic interactions and related effects.

Electrochemical capacitance modulation in an interacting mesoscopic capacitor induced by internal charge transfer

NASA Astrophysics Data System (ADS)

Liu, Wei; He, Jianhong; Guo, Huazhong; Gao, Jie

2018-04-01

We report experiments on the dynamic response of an interacting mesoscopic capacitor consisting of a quantum dot with two confined spin-split levels of the lowest Landau level. In high magnetic fields, states inside the dot are regulated by a mixture of Coulomb interaction and Landau-level quantization, and electrons distribute on two spatially separated regions. Quantum point contact voltage and magnetic field are employed to manipulate the number and distribution of electrons inside the quantum dot. We find that the periodicity of the electrochemical capacitance oscillations is dominated by the charging energy, and their amplitudes, due to internal charge transfer and strong internal capacitive coupling, show rich variations of modulations. Magnetocapacitance displays a sawtoothlike manner and may differ in tooth directions for different voltages, which, we demonstrate, result from a sawtoothlike electrochemical potential change induced by internal charge transfer and field-sensitive electrostatic potential. We further build a charge stability diagram, which, together with all other capacitance properties, is consistently interpreted in terms of a double-dot model. The demonstrated technique is of interest as a tool for fast and sensitive charge state readout of a double-quantum-dot qubit in the gigahertz frequency quantum electronics.

Constrained Kinematics of ICMEs from Multi-point in Situ and Heliospheric Imaging Data

NASA Astrophysics Data System (ADS)

Rollett, T.; Temmer, M.; Moestl, C.; Veronig, A. M.; Lugaz, N.; Vrsnak, B.; Farrugia, C. J.; Amerstorfer, U.

2013-12-01

The constrained harmonic mean (CHM) method is used to calculate the direction of motion of ICMEs and their kinematical profiles. Combining single spacecraft white-light observations from STEREO/HI with supplementary in situ data, it is possible to derive the propagation speed varying with heliocentric distance. This is a big advantage against other single-viewpoint methods, i.e. fitting methods, which assume a constant propagation speed. We show two different applications for the CHM method: first, an analysis of the interaction between the solar wind and ICMEs, and second, the interaction between two ICMEs. For analyzing interaction processes it is crucial to use a method that has the ability to investigate the corresponding effects on ICME kinematics. Additionally, we show the analysis of an outstanding fast ICME event of March 2012, which was detected in situ by Venus Express, Messenger and Wind and also observed by STEREO-A/HI. Due to these multiple in situ measurements it was possible to constrain the ICME kinematics by three different boundary values. These studies are fundamental in order to deepen the understanding of ICME evolution and to enhance existing forecasting methods. This work has received funding from the European Commission FP7 Project COMESEP (263252).

SIMPLE estimate of the free energy change due to aliphatic mutations: superior predictions based on first principles.

PubMed

Bueno, Marta; Camacho, Carlos J; Sancho, Javier

2007-09-01

The bioinformatics revolution of the last decade has been instrumental in the development of empirical potentials to quantitatively estimate protein interactions for modeling and design. Although computationally efficient, these potentials hide most of the relevant thermodynamics in 5-to-40 parameters that are fitted against a large experimental database. Here, we revisit this longstanding problem and show that a careful consideration of the change in hydrophobicity, electrostatics, and configurational entropy between the folded and unfolded state of aliphatic point mutations predicts 20-30% less false positives and yields more accurate predictions than any published empirical energy function. This significant improvement is achieved with essentially no free parameters, validating past theoretical and experimental efforts to understand the thermodynamics of protein folding. Our first principle analysis strongly suggests that both the solute-solute van der Waals interactions in the folded state and the electrostatics free energy change of exposed aliphatic mutations are almost completely compensated by similar interactions operating in the unfolded ensemble. Not surprisingly, the problem of properly accounting for the solvent contribution to the free energy of polar and charged group mutations, as well as of mutations that disrupt the protein backbone remains open. 2007 Wiley-Liss, Inc.

Synergistic Airframe-Propulsion Interactions and Integrations: A White Paper Prepared by the 1996-1997 Langley Aeronautics Technical Committee

NASA Technical Reports Server (NTRS)

Yaros, Steven F.; Sexstone, Matthew G.; Huebner, Lawrence D.; Lamar, John E.; McKinley, Robert E., Jr.; Torres, Abel O.; Burley, Casey L.; Scott, Robert C.; Small, William J.

1998-01-01

This white paper addresses the subject of Synergistic Airframe-Propulsion interactions and integrations (SnAPII). The benefits of SnAPII have not been as extensively explored. This is due primarily to the separateness of design process for airframes and propulsion systems, with only unfavorable interactions addressed. The question 'How to design these two systems in such a way that the airframe needs the propulsion and the propulsion needs the airframe?' is the fundamental issue addressed in this paper. Successful solutions to this issue depend on appropriate technology ideas. This paper first details some ten technologies that have yet to make it to commercial products (with limited exceptions) and that could be utilized in a synergistic manner. Then these technologies, either alone or in combination, are applied to both a conventional twin-engine transonic transport and to an unconventional transport, the Blended Wing Body. Lastly, combinations of these technologies are applied to configuration concepts to assess the possibilities of success relative to five of the ten NASA aeronautics goals. These assessments are subjective, but they point the way in which the applied technologies could work together for some break-through benefits.

A State-of-the-Art Experimental Laboratory for Cloud and Cloud-Aerosol Interaction Research

NASA Technical Reports Server (NTRS)

Fremaux, Charles M.; Bushnell, Dennis M.

2011-01-01

The state of the art for predicting climate changes due to increasing greenhouse gasses in the atmosphere with high accuracy is problematic. Confidence intervals on current long-term predictions (on the order of 100 years) are so large that the ability to make informed decisions with regard to optimum strategies for mitigating both the causes of climate change and its effects is in doubt. There is ample evidence in the literature that large sources of uncertainty in current climate models are various aerosol effects. One approach to furthering discovery as well as modeling, and verification and validation (V&V) for cloud-aerosol interactions is use of a large "cloud chamber" in a complimentary role to in-situ and remote sensing measurement approaches. Reproducing all of the complex interactions is not feasible, but it is suggested that the physics of certain key processes can be established in a laboratory setting so that relevant fluid-dynamic and cloud-aerosol phenomena can be experimentally simulated and studied in a controlled environment. This report presents a high-level argument for significantly improved laboratory capability, and is meant to serve as a starting point for stimulating discussion within the climate science and other interested communities.

Template-Based Modeling of Protein-RNA Interactions.

PubMed

Zheng, Jinfang; Kundrotas, Petras J; Vakser, Ilya A; Liu, Shiyong

2016-09-01

Protein-RNA complexes formed by specific recognition between RNA and RNA-binding proteins play an important role in biological processes. More than a thousand of such proteins in human are curated and many novel RNA-binding proteins are to be discovered. Due to limitations of experimental approaches, computational techniques are needed for characterization of protein-RNA interactions. Although much progress has been made, adequate methodologies reliably providing atomic resolution structural details are still lacking. Although protein-RNA free docking approaches proved to be useful, in general, the template-based approaches provide higher quality of predictions. Templates are key to building a high quality model. Sequence/structure relationships were studied based on a representative set of binary protein-RNA complexes from PDB. Several approaches were tested for pairwise target/template alignment. The analysis revealed a transition point between random and correct binding modes. The results showed that structural alignment is better than sequence alignment in identifying good templates, suitable for generating protein-RNA complexes close to the native structure, and outperforms free docking, successfully predicting complexes where the free docking fails, including cases of significant conformational change upon binding. A template-based protein-RNA interaction modeling protocol PRIME was developed and benchmarked on a representative set of complexes.

The genetic landscape of a physical interaction

PubMed Central

Diss, Guillaume

2018-01-01

A key question in human genetics and evolutionary biology is how mutations in different genes combine to alter phenotypes. Efforts to systematically map genetic interactions have mostly made use of gene deletions. However, most genetic variation consists of point mutations of diverse and difficult to predict effects. Here, by developing a new sequencing-based protein interaction assay – deepPCA – we quantified the effects of >120,000 pairs of point mutations on the formation of the AP-1 transcription factor complex between the products of the FOS and JUN proto-oncogenes. Genetic interactions are abundant both in cis (within one protein) and trans (between the two molecules) and consist of two classes – interactions driven by thermodynamics that can be predicted using a three-parameter global model, and structural interactions between proximally located residues. These results reveal how physical interactions generate quantitatively predictable genetic interactions. PMID:29638215

Molecular basis for the interplay of apoptosis and proliferation mediated by Bcl-xL:Bim interactions in pancreatic cancer cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abrol, Ravinder, E-mail: abrol@wag.caltech.edu; Edderkaoui, Mouad; Goddard, William A.

2012-06-15

Highlights: Black-Right-Pointing-Pointer Direct role of Bcl-2 protein interactions in cell proliferation is not clear. Black-Right-Pointing-Pointer Designed Bcl-xL mutants show opposite effects on apoptosis and proliferation. Black-Right-Pointing-Pointer Disrupting Bcl-xL:Bim interaction increased apoptosis in pancreatic cancer. Black-Right-Pointing-Pointer Disrupting Bcl-xL:Bim interaction decreased proliferation in pancreatic cancer. Black-Right-Pointing-Pointer Bcl-xL:Bim interaction can control both apoptosis and proliferation. -- Abstract: A major mechanism through which cancer cells avoid apoptosis is by promoting the association of anti-apoptotic members of the pro-survival Bcl-2 protein family (like Bcl-2 and Bcl-xL) with BH{sub 3} domain-only proteins (like Bim and Bid). Apoptosis and cell proliferation have been shown to be linkedmore » for many cancers but the molecular basis for this link is far from understood. We have identified the Bcl-xL:Bim protein-protein interface as a direct regulator of proliferation and apoptosis in pancreatic cancer cells. We were able to predict and subsequently verify experimentally the effect of various Bcl-xL single-point mutants (at the position A142) on binding to Bim by structural analysis and computational modeling of the inter-residue interactions at the Bcl-xL:Bim protein-protein interface. The mutants A142N, A142Q, and A142Y decreased binding of Bim to Bcl-xL and A142S increased this binding. The Bcl-xL mutants, with decreased affinity for Bim, caused an increase in apoptosis and a corresponding decrease in cell proliferation. However, we could prevent these effects by introducing a small interfering RNA (siRNA) targeted at Bim. These results show a novel role played by the Bcl-xL:Bim interaction in regulating proliferation of pancreatic cancer cells at the expense of apoptosis. This study presents a physiologically relevant model of the Bcl-xL:Bim interface that can be used for rational therapeutic design for the inhibition of proliferation and cancer cell resistance to apoptosis.« less

Interactive grid generation for turbomachinery flow field simulations

NASA Technical Reports Server (NTRS)

Choo, Yung K.; Eiseman, Peter R.; Reno, Charles

1988-01-01

The control point form of algebraic grid generation presented provides the means that are needed to generate well structured grids for turbomachinery flow simulations. It uses a sparse collection of control points distributed over the flow domain. The shape and position of coordinate curves can be adjusted from these control points while the grid conforms precisely to all boundaries. An interactive program called TURBO, which uses the control point form, is being developed. Basic features of the code are discussed and sample grids are presented. A finite volume LU implicit scheme is used to simulate flow in a turbine cascade on the grid generated by the program.

Interactive grid generation for turbomachinery flow field simulations

NASA Technical Reports Server (NTRS)

Choo, Yung K.; Reno, Charles; Eiseman, Peter R.

1988-01-01

The control point form of algebraic grid generation presented provides the means that are needed to generate well structured grids of turbomachinery flow simulations. It uses a sparse collection of control points distributed over the flow domain. The shape and position of coordinate curves can be adjusted from these control points while the grid conforms precisely to all boundaries. An interactive program called TURBO, which uses the control point form, is being developed. Basic features of the code are discussed and sample grids are presented. A finite volume LU implicit scheme is used to simulate flow in a turbine cascade on the grid generated by the program.

Implementation of control point form of algebraic grid-generation technique

NASA Technical Reports Server (NTRS)

Choo, Yung K.; Miller, David P.; Reno, Charles J.

1991-01-01

The control point form (CPF) provides explicit control of physical grid shape and grid spacing through the movement of the control points. The control point array, called a control net, is a space grid type arrangement of locations in physical space with an index for each direction. As an algebraic method CPF is efficient and works well with interactive computer graphics. A family of menu-driven, interactive grid-generation computer codes (TURBO) is being developed by using CPF. Key features of TurboI (a TURBO member) are discussed and typical results are presented. TurboI runs on any IRIS 4D series workstation.

The Fisheries and Marine Renewable Energy Working Group: creating an agenda for improved co-existence.

NASA Astrophysics Data System (ADS)

Campbell, M. S.; De Groot, J.; Ashley, M.; Rodwell, L.

2014-12-01

As an emerging industry, Marine Renewable Energy (MRE) is expected to play a major contributory role if the UK is to successfully reach its desired target of renewable energy production by 2020. However, due to the competing objectives and priorities of MRE and other industries, for example fisheries, and in the delivering of conservation measures, the demand for space within our marine landscape is increasing, and interactions are inevitable. In order to promote better understanding of the challenges in resolving interactions between these industries, a Fisheries and Marine Renewable Energy Working Group was set up under the Natural Environment Research Council Marine Renewable Energy Knowledge Exchange Programme (NERC MREKEP). The Working Group carried out an initial scoping survey in order to summarise recent and current research activities and identify key issues and topics in the fields of fisheries and MRE interactions. Mixed stakeholder groups discussed four primary topics: priority issues; barriers to progress; problem mitigation; and thoughts on the consultation process. Points of discussion were categorized into themes to aid analysis and protocol development. These themes were: culture, community and economy; legislation and rights; data and information; and collaboration and communication. Subsequent invited stakeholder and expert panel workshops were held to facilitate knowledge exchange between fisheries and development of MRE in order to identify priority research issues, knowledge gaps and collaboration needs. Four group sessions identified: practical steps to aid interaction between industries; barriers, opportunities and solutions; an agenda for action, timescales and partners; and action points carried forward by each stakeholder group. This Working Group, guided under the MREKEP banner, is the first of its kind in the UK, bringing together individuals from a nationally diverse group of academics, regulators, policy makers and representatives from fisheries, MRE sectors and conservation bodies. Therefore, it has the potential, for the first time, to develop effective guidelines and protocols for both mitigation and assessment of displacement of fishing effort, for the entire life cycle of MRE projects.

[Interaction Between Occupational Vanadium Exposure and hsp70-hom on Neurobehavioral Function].

PubMed

Zhang, Qin; Liu, Yun-xing; Cui, Li; Li, Shun-pin; Gao, Wei; Hu, Gao-lin; Zhang, Zu-hui; Lan, Ya-jia

2016-01-01

In determine the effect of heat shock protein 70-hom gene (hsp70-hom) polymorphism on the neurobehavioral function of workers exposed to vanadium. Workers from the vanadium products and chemical industry were recruited by cluster sampling. Demographic data and exposure information were collected using a questionnaire. Neurobehavioral function was assessed by Neurobehavioral Core Test Battery. The hsp70-hom genotype was detected by restricted fragment length polymorphism-polymerase chain reaction (RFLP-PCR). A neurobehavioral index (NBI) was formulated through principal component analysis. Workers with a T/C genotype had worse performance in average reaction time, visual retention, digital span (backward), Santa Ana aiming (non-habitual hand), pursuit aiming (right points, total points), digit symbol and NBI score than others (P < 0.05). The relative risk of abnormal NBI score of the workers with a T/C genotype was 1.748 fold of those with a T/T genotype. The relative risk of abnormal.NBI score of the workers exposed to vanadium was 3.048 fold of controls (P < 0.05). But after adjustment with age and education, only vanadium exposure appeared with a significant effect on NBI score. When gene polymorphism and vanadium exposure coexisted, the effect of vanadium on neurobehavioral function was attenuated, but the influence of T/C genotype increased Codds ratio (OR = 4.577, P < 0.05). After adjustment with age and education, the OR of T/C genotype further increased to 7.777 (P < 0.05). Vanadium exposure and T/C genotype had.a bio-interaction effect on NBI score Crelative excess risk due to interaction (RERI) = 4.12, attributable proportion (AP) = 0.7, synergy index (S) = 6.45]. After adjustment with age and education, the RERI became 2.49 and the AP became 0.75, but no coefficient of interaction was produced. Priorities of occupational protection should be given to vanadium-exposed workers with a hsp70-hom T/C genotype and low education level.

Influence of Physiological Gastrointestinal Surfactant Ratio on the Equilibrium Solubility of BCS Class II Drugs Investigated Using a Four Component Mixture Design

PubMed Central

2017-01-01

The absorption of poorly water-soluble drugs is influenced by the luminal gastrointestinal fluid content and composition, which control solubility. Simulated intestinal fluids have been introduced into dissolution testing including endogenous amphiphiles and digested lipids at physiological levels; however, in vivo individual variation exists in the concentrations of these components, which will alter drug absorption through an effect on solubility. The use of a factorial design of experiment and varying media by introducing different levels of bile, lecithin, and digested lipids has been previously reported, but here we investigate the solubility variation of poorly soluble drugs through more complex biorelevant amphiphile interactions. A four-component mixture design was conducted to understand the solubilization capacity and interactions of bile salt, lecithin, oleate, and monoglyceride with a constant total concentration (11.7 mM) but varying molar ratios. The equilibrium solubility of seven low solubility acidic (zafirlukast), basic (aprepitant, carvedilol), and neutral (fenofibrate, felodipine, griseofulvin, and spironolactone) drugs was investigated. Solubility results are comparable with literature values and also our own previously published design of experiment studies. Results indicate that solubilization is not a sum accumulation of individual amphiphile concentrations, but a drug specific effect through interactions of mixed amphiphile compositions with the drug. This is probably due to a combined interaction of drug characteristics; for example, lipophilicity, molecular shape, and ionization with amphiphile components, which can generate specific drug–micelle affinities. The proportion of each component can have a remarkable influence on solubility with, in some cases, the highest and lowest points close to each other. A single-point solubility measurement in a fixed composition simulated media or human intestinal fluid sample will therefore provide a value without knowledge of the surrounding solubility topography meaning that variability may be overlooked. This study has demonstrated how the amphiphile ratios influence drug solubility and highlights the importance of the envelope of physiological variation when simulating in vivo drug behavior. PMID:28749696

Suspensions of polymer-grafted nanoparticles with added polymers-Structure and effective pair-interactions.

PubMed

Chandran, Sivasurender; Saw, Shibu; Kandar, A K; Dasgupta, C; Sprung, M; Basu, J K

2015-08-28

We present the results of combined experimental and theoretical (molecular dynamics simulations and integral equation theory) studies of the structure and effective interactions of suspensions of polymer grafted nanoparticles (PGNPs) in the presence of linear polymers. Due to the absence of systematic experimental and theoretical studies of PGNPs, it is widely believed that the structure and effective interactions in such binary mixtures would be very similar to those of an analogous soft colloidal material-star polymers. In our study, polystyrene-grafted gold nanoparticles with functionality f = 70 were mixed with linear polystyrene (PS) of two different molecular weights for obtaining two PGNP:PS size ratios, ξ = 0.14 and 2.76 (where, ξ = Mg/Mm, Mg and Mm being the molecular weights of grafting and matrix polymers, respectively). The experimental structure factor of PGNPs could be modeled with an effective potential (Model-X), which has been found to be widely applicable for star polymers. Similarly, the structure factor of the blends with ξ = 0.14 could be modeled reasonably well, while the structure of blends with ξ = 2.76 could not be captured, especially for high density of added polymers. A model (Model-Y) for effective interactions between PGNPs in a melt of matrix polymers also failed to provide good agreement with the experimental data for samples with ξ = 2.76 and high density of added polymers. We tentatively attribute this anomaly in modeling the structure factor of blends with ξ = 2.76 to the questionable assumption of Model-X in describing the added polymers as star polymers with functionality 2, which gets manifested in both polymer-polymer and polymer-PGNP interactions especially at higher fractions of added polymers. The failure of Model-Y may be due to the neglect of possible many-body interactions among PGNPs mediated by matrix polymers when the fraction of added polymers is high. These observations point to the need for a new framework to understand not only the structural behavior of PGNPs but also possibly their dynamics and thermo-mechanical properties as well.

Linear summation of outputs in a balanced network model of motor cortex.

PubMed

Capaday, Charles; van Vreeswijk, Carl

2015-01-01

Given the non-linearities of the neural circuitry's elements, we would expect cortical circuits to respond non-linearly when activated. Surprisingly, when two points in the motor cortex are activated simultaneously, the EMG responses are the linear sum of the responses evoked by each of the points activated separately. Additionally, the corticospinal transfer function is close to linear, implying that the synaptic interactions in motor cortex must be effectively linear. To account for this, here we develop a model of motor cortex composed of multiple interconnected points, each comprised of reciprocally connected excitatory and inhibitory neurons. We show how non-linearities in neuronal transfer functions are eschewed by strong synaptic interactions within each point. Consequently, the simultaneous activation of multiple points results in a linear summation of their respective outputs. We also consider the effects of reduction of inhibition at a cortical point when one or more surrounding points are active. The network response in this condition is linear over an approximately two- to three-fold decrease of inhibitory feedback strength. This result supports the idea that focal disinhibition allows linear coupling of motor cortical points to generate movement related muscle activation patterns; albeit with a limitation on gain control. The model also explains why neural activity does not spread as far out as the axonal connectivity allows, whilst also explaining why distant cortical points can be, nonetheless, functionally coupled by focal disinhibition. Finally, we discuss the advantages that linear interactions at the cortical level afford to motor command synthesis.

Understanding physical rock properties and their relation to fluid-rock interactions under supercritical conditions

NASA Astrophysics Data System (ADS)

Kummerow, Juliane; Raab, Siegfried; Meyer, Romain

2017-04-01

The electrical conductivity of rocks is, in addition to lithological factors (mineralogy, porosity) and physical parameters (temperature, pressure) sensitive to the nature of pore fluids (phase, salinity), and thus may be an indicative measure for fluid-rock interactions. Especially near the critical point, which is at 374.21° C and 22.12 MPa for pure water, the physico-chemical properties of aqueous fluids change dramatically and mass transfer and diffusion-controlled chemical reactivity are enhanced, which in turn leads to the formation of element depletion/ enrichment patterns or cause mineral dissolution. At the same time, the reduction of the dielectric constant of water promotes ion association and consequently mineral precipitation. All this cause changes in the electrical conductivity of geothermal fluids and may have considerable effects on the porosity and hydraulic properties of the rocks with which they are in contact. In order to study the impact of fluid-rock interactions on the physical properties of fluids and rocks in near- and supercritical geological settings in more detail, in the framework of the EU-funded project "IMAGE" (Integrated Methods for Advanced Geothermal Exploration) hydraulic and electrical properties of rock cores from different active and exhumed geothermal areas on Iceland were measured up to supercritical conditions (Tmax = 380° C, pfluid = 23 MPa) during long-term (2-3 weeks) flow-through experiments in an internally heated gas pressure vessel at a maximum confining pressure of 42 MPa. In a second flow-through facility both the intrinsic T-dependent electrical fluid properties as well as the effect of mineral dissolution/ precipitation on the fluid conductivity were measured for increasing temperatures in a range of 24 - 422° C at a constant fluid pressure of 31 MPa. Petro- and fluid physical measurements were supplemented by a number of additional tests, comprising microstructural investigations as well as the chemical analysis of fluid samples, which were taken at every temperature level. Both physical and chemical data indicate only slight fluid-rock interactions at T < 250° C and the increase in bulk conductivity is most probably dominated by a T-dependence of the surface conductance. At higher temperatures, the decreasing fluid density causes the decrease of dielectric constant, which in turn leads to the precipitation of minerals due to a promoted association between oppositely charged ions. This is intensified at the critical point, indicated by a sharp decrease in conductivity, when regarding pure fluids. The opposite was observed in experiments, where fluid-solid interaction was allowed. In this case, the conductivity of the bulk system has increased within seconds nearly by factor 7. This points to a massive release of charge carriers due to an extensive and spontaneous increase in rock solubility, what counterbalances the effect of mineral precipitation. Moreover, the permanent oscillation of conductivities at supercritical conditions may indicate a dynamic interplay of ion depletion by mineral precipitation and the input of new charge carriers due to mineral dissolution. Regarding the permeability we can resolve the influence of mineral precipitation only, which is indicated by a decrease in rock permeability by about 5 % after the sample was exposed to supercritical conditions for 4 hours. Especially, for Si a continuous increase of ion concentration in the fluid samples is revealed for increasing temperatures, indicating a beginning mineral dissolution above 150° C. At near-critical conditions also Al and Pb as well as the rare earth elements (REE) are more intensively dissolved. From SEM analyses it is apparent that the alteration of the solid material is most effective where fresh fluid is continuously flowing around the solid, while stagnant fluids led to a much less pervasive alteration of the material. In this case, solid dissolution seems to slow down considerably or even comes to an end, what can be explained by the adjustment of a chemical equilibrium and the stabilisation of the reaction front.

Academic Self-Efficacy, Faculty-Student Interactions, and Student Characteristics as Predictors of Grade Point Average

ERIC Educational Resources Information Center

Gosnell, Joan C.

2012-01-01

The purpose of the study was to explore student characteristics, academic self-efficacy, and faculty-student interactions as predictors of grade point average for upper-division (college level third and fourth year) education students at a public 4-year degree-granting community college. The study examined the effects of student characteristics…

Teaching Experience: How to Make and Use PowerPoint-Based Interactive Simulations for Undergraduate IR Teaching

ERIC Educational Resources Information Center

Meibauer, Gustav; Aagaard Nøhr, Andreas

2018-01-01

This article is about designing and implementing PowerPoint-based interactive simulations for use in International Relations (IR) introductory undergraduate classes based on core pedagogical literature, models of human skill acquisition, and previous research on simulations in IR teaching. We argue that simulations can be usefully employed at the…

Children with Autism Wearing Action Cameras: Changing Parent/Child Interactions Using Point-of-View Video Modeling

ERIC Educational Resources Information Center

Stump, Keenan C.

2017-01-01

My dissertation research involves the implementation of a parent-provided point-of-view modeling (POVM) intervention created to improve social interaction between parents and their children with autism spectrum disorder (ASD). A series of studies ultimately lead to my dissertation study. The first manuscript entitled "Autism-Related Insurance…

Contact processes with competitive dynamics in bipartite lattices: effects of distinct interactions

NASA Astrophysics Data System (ADS)

Pianegonda, Salete; Fiore, Carlos E.

2014-05-01

The two-dimensional contact process (CP) with a competitive dynamics proposed by Martins et al (2011 Phys. Rev. E 84 011125) leads to the appearance of an unusual active-asymmetric phase, in which the system sublattices are unequally populated. It differs from the usual CP only by the fact that particles also interact with their next-nearest neighbor sites via a distinct strength creation rate, and for the inclusion of an inhibition effect, proportional to the local density. Aimed at investigating the robustness of such an asymmetric phase, in this paper we study the influence of distinct interactions for two bidimensional CPs. In the first model, the interaction between first neighbors requires a minimal neighborhood of adjacent particles for creating new offspring, whereas second neighbors interact as usual (e.g. at least one neighboring particle is required). The second model takes the opposite situation, in which the restrictive dynamics is in the interaction between next-nearest neighbor sites. Both models are investigated under mean field theory (MFT) and Monte Carlo simulations. In similarity with results by Martins et al, the inclusion of distinct sublattice interactions maintains the occurrence of an asymmetric active phase and re-entrant transition lines. In contrast, remarkable differences are presented, such as discontinuous phase transitions (even between the active phases), the appearance of tricritical points and the stabilization of active phases under larger values of control parameters. Finally, we have shown that the critical behaviors are not altered due to the change of interactions, in which the absorbing transitions belong to the directed percolation (DP) universality class, whereas second-order active phase transitions belong to the Ising universality class.

Extended Rindler spacetime and a new multiverse structure

NASA Astrophysics Data System (ADS)

Araya, Ignacio J.; Bars, Itzhak

2018-04-01

This is the first of a series of papers in which we use analyticity properties of quantum fields propagating on a spacetime to uncover a new multiverse geometry when the classical geometry has horizons and/or singularities. The nature and origin of the "multiverse" idea presented in this paper, that is shared by the fields in the standard model coupled to gravity, are different from other notions of a multiverse. Via analyticity we are able to establish definite relations among the universes. In this paper we illustrate these properties for the extended Rindler space, while black hole spacetime and the cosmological geometry of mini-superspace (see Appendix B) will appear in later papers. In classical general relativity, extended Rindler space is equivalent to flat Minkowski space; it consists of the union of the four wedges in (u ,v ) light-cone coordinates as in Fig. 1. In quantum mechanics, the wavefunction is an analytic function of (u ,v ) that is sensitive to branch points at the horizons u =0 or v =0 , with branch cuts attached to them. The wave function is uniquely defined by analyticity on an infinite number of sheets in the cut analytic (u ,v ) spacetime. This structure is naturally interpreted as an infinite stack of identical Minkowski geometries, or "universes", connected to each other by analyticity across branch cuts, such that each sheet represents a different Minkowski universe when (u ,v ) are analytically continued to the real axis on any sheet. We show in this paper that, in the absence of interactions, information does not flow from one Rindler sheet to another. By contrast, for an eternal black hole spacetime, which may be viewed as a modification of Rindler that includes gravitational interactions, analyticity shows how information is "lost" due to a flow to other universes, enabled by an additional branch point and cut due to the black hole singularity.

[Validation of interaction databases in psychopharmacotherapy].

PubMed

Hahn, M; Roll, S C

2018-03-01

Drug-drug interaction databases are an important tool to increase drug safety in polypharmacy. There are several drug interaction databases available but it is unclear which one shows the best results and therefore increases safety for the user of the databases and the patients. So far, there has been no validation of German drug interaction databases. Validation of German drug interaction databases regarding the number of hits, mechanisms of drug interaction, references, clinical advice, and severity of the interaction. A total of 36 drug interactions which were published in the last 3-5 years were checked in 5 different databases. Besides the number of hits, it was also documented if the mechanism was correct, clinical advice was given, primary literature was cited, and the severity level of the drug-drug interaction was given. All databases showed weaknesses regarding the hit rate of the tested drug interactions, with a maximum of 67.7% hits. The highest score in this validation was achieved by MediQ with 104 out of 180 points. PsiacOnline achieved 83 points, arznei-telegramm® 58, ifap index® 54 and the ABDA-database 49 points. Based on this validation MediQ seems to be the most suitable databank for the field of psychopharmacotherapy. The best results in this comparison were achieved by MediQ but this database also needs improvement with respect to the hit rate so that the users can rely on the results and therefore increase drug therapy safety.

Compressible Heating in the Condense Phase due to Pore Collapse in HMX

NASA Astrophysics Data System (ADS)

Zhang, Ju; Jackson, Thomas

Axisymmetric pore collapse in HMX is studied numerically by solving multi-phase reactive Euler equations. The generation of hot spots in the condense phase due to compressible heating is examined. The motivation is to improve the understanding of the role of embedded cavities in the initiation of reaction in explosives, and to investigate the effect of hot spots in the condense phase due to compressible heating alone, complementing previous study on hot spots due to the reaction in the gas phase and at the interface. It is found that the shock-cavity interaction results in pressures and thus temperatures that are substantially higher than the post-shock values in the condense phase. However, these hot spots in the condense phase due to compressible heating alone do not seem to be sufficiently hot to lead to ignition at shock pressures of 1-3 GPa. Thus, compressible heating in the condense phase may be excluded as a mechanism for initiation of explosives. It should be pointed out that the ignition threshold for the temperature, the so-called ``switch-on'' temperature, of hot spots depend on chemistry kinetics parameters. Switch-on temperature is lower for faster reaction rate. The current chemistry kinetics parameters are based on previous experimental work. This work was supported in part by the Defense Threat Reduction Agency and by the U.S. Department of Energy.

Phosphorus feedbacks constraining tropical ecosystem responses to changes in atmospheric CO2 and climate

NASA Astrophysics Data System (ADS)

Yang, Xiaojuan; Thornton, Peter E.; Ricciuto, Daniel M.; Hoffman, Forrest M.

2016-07-01

The effects of phosphorus (P) availability on carbon (C) cycling in the Amazon region are investigated using CLM-CNP. We demonstrate that the coupling of P dynamics reduces the simulated historical terrestrial C sink due to increasing atmospheric CO2 concentrations ([CO2]) by about 26%. Our exploratory simulations show that the response of tropical forest C cycling to increasing [CO2] depends on how elevated CO2 affects phosphatase enzyme production. The effects of warming are more complex, depending on the interactions between humidity, C, and nutrient dynamics. While a simulation with low humidity generally shows the reduction of net primary productivity (NPP), a second simulation with higher humidity suggests overall increases in NPP due to the dominant effects of reduced water stress and more nutrient availability. Our simulations point to the need for (1) new observations on how elevated [CO2] affects phosphatase enzyme production and (2) more tropical leaf-scale measurements under different temperature/humidity conditions with different soil P availability.

Electrons at the monkey saddle: a multicritical Lifshitz point

NASA Astrophysics Data System (ADS)

Shtyk, Alex; Goldstein, Garry; Chamon, Claudio

We consider 2D interacting electrons at a monkey saddle with dispersion px3 - 3pxpy2 . Such a dispersion naturally arises at the multicritical Lifshitz point when three van Hove saddles merge in an elliptical umbilic elementary catastrophe, which we show can be realized in biased bilayer graphene. A multicritical Lifshitz point of this kind can be identified by its signature Landau level behavior Em (Bm) 3 / 2 and related oscillations in thermodynamic and transport properties, such as de Haas-van Alphen and Shubnikov-de Haas oscillations, whose period triples as the system crosses the singularity. We show, in the case of a single monkey saddle, that the non-interacting electron fixed point is unstable to interactions under the renormalization group flow, developing either a superconducting instability or non-Fermi liquid features. Biased bilayer graphene, where there are two non-nested monkey saddles at the K and K' points, exhibits an interplay of competing many-body instabilities, namely s-wave superconductivity, ferromagnetism, and spin- and charge-density wave. DOE DE-FG02-06ER46316.

Interactive Classification of Construction Materials: Feedback Driven Framework for Annotation and Analysis of 3d Point Clouds

NASA Astrophysics Data System (ADS)

Hess, M. R.; Petrovic, V.; Kuester, F.

2017-08-01

Digital documentation of cultural heritage structures is increasingly more common through the application of different imaging techniques. Many works have focused on the application of laser scanning and photogrammetry techniques for the acquisition of threedimensional (3D) geometry detailing cultural heritage sites and structures. With an abundance of these 3D data assets, there must be a digital environment where these data can be visualized and analyzed. Presented here is a feedback driven visualization framework that seamlessly enables interactive exploration and manipulation of massive point cloud data. The focus of this work is on the classification of different building materials with the goal of building more accurate as-built information models of historical structures. User defined functions have been tested within the interactive point cloud visualization framework to evaluate automated and semi-automated classification of 3D point data. These functions include decisions based on observed color, laser intensity, normal vector or local surface geometry. Multiple case studies are presented here to demonstrate the flexibility and utility of the presented point cloud visualization framework to achieve classification objectives.

Multi-Field/-Scale Interaction of Neoclassical Tearing Modes with Turbulence and Impact on Plasma Confinement

NASA Astrophysics Data System (ADS)

Bardoczi, Laszlo

Neoclassical Tearing Modes (NTMs) are a major impediment in the development of operational scenarios of present toroidal fusion devices. The multi-scale and non-linear interaction of NTMs with turbulence has been an active field of theoretical plasma research in the past decade for its role in plasma confinement. However, little to no experimental effort has been devoted to explore this interaction. As part of this thesis, dedicated experiments were conducted utilizing the full complement of the DIII-D turbulence diagnostics to study the effect of NTM on turbulence as well as the effect of turbulence on NTM growth. The first localized measurements of long and intermediate wavelength turbulent density fluctuations and long wavelength turbulent electron temperature fluctuations modified by magnetic islands are presented. These long and intermediate wavelengths correspond to the expected Ion Temperature Gradient (ITG) and Trapped Electron Mode (TEM) scales, respectively. Two regimes were observed when tracking density fluctuations during NTM evolution: (1) small islands are characterized by steep electron temperature radial profile and turbulence levels comparable to that of the background; (2) large islands have a flat electron temperature profile and reduced turbulence level at the O-point. Radially outside of the large island, the electron temperature profile is steeper and the turbulence level increased compared to the no or small island case. It was also found that turbulence is reduced in the O-point region compared to the X-point region. This helical structure of turbulence modification leads to a 15% modulation of the density fluctuation power as the island rotates in the lab frame and this modulation is nearly in phase with the electron temperature modulation. These measurements were also used to determine the turbulence penetration length scale at the island separatrix and was found that the turbulence penetration length scale is on the order of the threshold island width for temperature flattening and turbulence reduction to occur at the O-point. This suggests that the physics of island transition could be related to turbulence penetration into the island. In addition, a novel, anisotropic, non-linear heat transport model of magnetic islands with spatially non-uniform cross-field thermal diffusivity was developed. This model was utilized to derive the diffusivity at the O-point from measured electron temperature data and it was found that the diffusivity at the O-point is 1 to 2 orders of magnitude smaller than the background plasma transport. As the anomalously large values of the diffusivity are often attributed to turbulence driven transport, the reduction of the diffusivity is consistent with the found turbulence reduction at the O-point. Complementing the experimental results of turbulence-NTM interaction described in this thesis, qualitative comparisons were carried out for the first time to GENE non-linear gyrokinetic turbulence simulations employing static magnetic islands. These simulations qualitatively replicate the measured 2D response of turbulence as well as the observed scaling with island size. The consequences of the observed NTM-turbulence interaction on the global plasma confinement were studied via analyses of simultaneous changes in NTM amplitude, plasma profiles, turbulence, fluxes and confinement. It was found that the global confinement degradation is intimately linked to the turbulence enhancement outside of the island region (induced by the island). Experimentally observed local turbulence and transport reduction at the O-point, as well as the effect of global confinement decrease was incorporated in the dynamical equation of NTMs, which shows that the NTM growth rate increases when turbulence and gradients are reduced inside the island (right after the transition from small to large island regime). Additionally, the shrinking of NTM islands due to strong temperature perturbations associated with Edge Localized Modes was observed. Simultaneous increase in turbulence level at the O-point was also observed and the data suggests that this temporal increase of turbulence level at the O-point accelerates NTM recovery after the ELM-crash. This is facilitated via the fast turbulent cross-field transport that leads to a rapid restoration of the flat profile (and bootstrap current perturbation) at the O-point. Finally, a series of low torque H-mode experiments were carried out to measure the perturbed ion temperature and toroidal flow profiles via CER across slowly rotating islands. Comparison of the observed flow perturbation to the gyrokinetic simulations suggests that large islands develop a vortex like plasma flow circulating around the O-point.

The dynamic behavior of a liquid ethanol-water mixture: a perspective from quantum chemical topology.

PubMed

Mejía, Sol M; Mills, Matthew J L; Shaik, Majeed S; Mondragon, Fanor; Popelier, Paul L A

2011-05-07

Quantum Chemical Topology (QCT) is used to reveal the dynamics of atom-atom interactions in a liquid. A molecular dynamics simulation was carried out on an ethanol-water liquid mixture at its azeotropic concentration (X(ethanol)=0.899), using high-rank multipolar electrostatics. A thousand (ethanol)(9)-water heterodecamers, respecting the water-ethanol ratio of the azeotropic mixture, were extracted from the simulation. Ab initio electron densities were computed at the B3LYP/6-31+G(d) level for these molecular clusters. A video shows the dynamical behavior of a pattern of bond critical points and atomic interaction lines, fluctuating over 1 ns. A bond critical point distribution revealed the fluctuating behavior of water and ethanol molecules in terms of O-H···O, C-H···O and H···H interactions. Interestingly, the water molecule formed one to six C-H···O and one to four O-H···O interactions as a proton acceptor. We found that the more localized a dynamical bond critical point distribution, the higher the average electron density at its bond critical points. The formation of multiple C-H···O interactions affected the shape of the oxygen basin of the water molecule, which is shown in three dimensions. The hydrogen atoms of water strongly preferred to form H···H interactions with ethanol's alkyl hydrogen atoms over its hydroxyl hydrogen. This journal is © the Owner Societies 2011

Biomechanics of 4-point seat belt systems in frontal impacts.

PubMed

Rouhana, Stephen W; Bedewi, Paul G; Kankanala, Sundeep V; Prasad, Priya; Zwolinski, Joseph J; Meduvsky, Alex G; Rupp, Jonathan D; Jeffreys, Thomas A; Schneider, Lawrence W

2003-01-01

The biomechanical behavior of 4-point seat belt systems was investigated through MADYMO modeling, dummy tests and post mortem human subject tests. This study was conducted to assess the effect of 4-point seat belts on the risk of thoracic injury in frontal impacts, to evaluate the ability to prevent submarining under the lap belt using 4-point seat belts, and to examine whether 4-point belts may induce injuries not typically observed with 3-point seat belts. The performance of two types of 4-point seat belts was compared with that of a pretensioned, load-limited, 3-point seat belt. A 3-point belt with an extra shoulder belt that "crisscrossed" the chest (X4) appeared to add constraint to the torso and increased chest deflection and injury risk. Harness style shoulder belts (V4) loaded the body in a different biomechanical manner than 3-point and X4 belts. The V4 belt appeared to shift load to the clavicles and pelvis and to reduce traction of the shoulder belt across the chest, resulting in a reduction in chest deflection by a factor of two. This is associated with a 5 to 500-fold reduction in thoracic injury risk, depending on whether one assumes 4-point belts apply concentrated or distributed load. In four of six post mortem human subjects restrained by V4 belts during 40 km/h sled tests, chest compression was zero or negative and rib fractures were nearly eliminated. Submarining was not observed in any test with post mortem human subjects. Though lumbar, sacral and pelvic injuries were noted, they are believed to be due to the artificial restraint environment (no knee bolsters, instrument panels, steering systems or airbags). While they show significant potential to reduce thoracic injury risk, there are still many issues to be resolved before 4-point belts can be considered for production vehicles. These issues include, among others, potential effects on hard and soft neck tissues, of interaction with inboard shoulder belts in farside impacts and potential effects on the fetus of latch/buckle junctions at the centerline of pregnant occupants. Work continues at Ford Motor Company to resolve these issues.

Phase diagrams and free-energy landscapes for model spin-crossover materials with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions

NASA Astrophysics Data System (ADS)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-11-01

We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions) [P. A. Rikvold et al., Phys. Rev. B 93, 064109 (2016), 10.1103/PhysRevB.93.064109]. The results are obtained by a recently introduced, macroscopically constrained Wang-Landau Monte Carlo simulation method [Phys. Rev. E 95, 053302 (2017), 10.1103/PhysRevE.95.053302]. The method's computational efficiency enables calculation of thermodynamic quantities for a wide range of temperatures, applied fields, and long-range interaction strengths. For long-range interactions of intermediate strength, tricritical points in the phase diagrams are replaced by pairs of critical end points and mean-field critical points that give rise to horn-shaped regions of metastability. The corresponding free-energy landscapes offer insights into the nature of asymmetric, multiple hysteresis loops that have been experimentally observed in spin-crossover materials characterized by competing short-range interactions and long-range elastic interactions.

Equilibrium, metastability, and hysteresis in a model spin-crossover material with nearest-neighbor antiferromagnetic-like and long-range ferromagnetic-like interactions

DOE PAGES

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji; ...

2016-02-16

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean- field method for a simplified model of a spin-crossovermaterialwith a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S = 1/2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley ( equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shapedmore » regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. As a result, we believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.« less

The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion

NASA Astrophysics Data System (ADS)

Giachin, Gabriele; Mai, Phuong Thao; Tran, Thanh Hoa; Salzano, Giulia; Benetti, Federico; Migliorati, Valentina; Arcovito, Alessandro; Longa, Stefano Della; Mancini, Giordano; D'Angelo, Paola; Legname, Giuseppe

2015-10-01

The conversion of the prion protein (PrPC) into prions plays a key role in transmissible spongiform encephalopathies. Despite the importance for pathogenesis, the mechanism of prion formation has escaped detailed characterization due to the insoluble nature of prions. PrPC interacts with copper through octarepeat and non-octarepeat binding sites. Copper coordination to the non-octarepeat region has garnered interest due to the possibility that this interaction may impact prion conversion. We used X-ray absorption spectroscopy to study copper coordination at pH 5.5 and 7.0 in human PrPC constructs, either wild-type (WT) or carrying pathological mutations. We show that mutations and pH cause modifications of copper coordination in the non-octarepeat region. In the WT at pH 5.5, copper is anchored to His96 and His111, while at pH 7 it is coordinated by His111. Pathological point mutations alter the copper coordination at acidic conditions where the metal is anchored to His111. By using in vitro approaches, cell-based and computational techniques, we propose a model whereby PrPC coordinating copper with one His in the non-octarepeat region converts to prions at acidic condition. Thus, the non-octarepeat region may act as the long-sought-after prion switch, critical for disease onset and propagation.

Stability, Continuity, and Similarity of Parenting Stress in European American Mothers and Fathers across their Child's Transition to Adolescence.

PubMed

Putnick, Diane L; Bornstein, Marc H; Hendricks, Charlene; Painter, Kathleen M; Suwalsky, Joan T D; Collins, W Andrew

2010-01-01

OBJECTIVE: Experiencing some degree of parenting stress is virtually unavoidable, particularly as children enter early adolescence and assert their independence. In this study, we examined how parenting stress attributed to the parent, the child, or the dyad changed in mean level and relative standing across their child's transition to adolescence. We also compared mothers and fathers from the same families in terms of parenting stress and explored how one parent's stress affected the other parent's stress. DESIGN: Participants included 222 European American parents (111 mothers and 111 fathers), assessed when their children were 10 and 14 years old. RESULTS: Parenting stress was highly stable from 10 to 14 years. Total parenting stress increased across time, and was attributable to stress due to increased parent-child dysfunctional interaction, not parental distress or stress due to child behavior. Mothers and fathers agreed moderately in their relative standing and in the average levels of parenting stress in the three different domains of parenting stress at each time point. Mothers' and fathers' stress across domains were sometimes related. CONCLUSIONS: Mothers' and fathers' increased parenting stress across their child's transition to adolescence seems to derive from parent-child interaction rather than qualities of the parent or the child per se. Finding ways to maintain parent-child communication and closeness may protect parents and families from increased stress during this vulnerable time.

Modeling dynamics of large tabular icebergs submerged in the ocean

NASA Astrophysics Data System (ADS)

Adcroft, A.; Stern, A. A.; Sergienko, O. V.

2017-12-01

Large tabular icebergs account for a major fraction of the ice calved from the Antarctic ice shelves, and have long lifetimes due to their size. They drift for long distances, interacting with the local ocean circulation, impacting bottom-water formation, sea-ice formation, and biological productivity in the vicinity of the icebergs. However, due to their large horizontal extent and mass, it is challenging to consistently represent large tabular icebergs in global ocean circulation models and so large tabular icebergs are not currently represented in climate models. In this study we develop a novel framework to model large tabular icebergs submerged in the ocean. In this framework, a tabular iceberg is represented by a collection of Lagrangian elements that are linked through rigid bonds. The Lagrangian elements are finite-area modifications of the point-particles used in previous studies to represent small icebergs. These elements interact with the ocean by exerting pressure on the ocean surface, and through melt water and momentum exchange. A breaking of the rigid bonds allows the model to emulate calving events (i.e. detachment of a tabular iceberg from an ice shelf), and to emulate the breaking up of tabular icebergs into smaller pieces. Idealized simulations of the calving of a tabular iceberg, subsequent drift and breakup, demonstrate the capabilities of the new framework with a promise that climate models may soon be able to represent large tabular icebergs.

Exchange bias for core/shell magnetic nanoparticles

NASA Astrophysics Data System (ADS)

Lemos, C. G. O.; Figueiredo, W.; Santos, M.

2015-09-01

We study the properties of a finite magnetic system to model a magnetic nanoparticle, which is formed by a reduced number of magnetic dipole moments due to the spin of the atoms. The nanoparticle is of the type core/shell where the shell is formed by spins interacting through an antiferromagnetic exchange coupling while for the spins belonging to the core the coupling is ferromagnetic. The interaction between the spins at the interface core/shell can be either ferro or antiferromagnetic. To describe the states of the spins we used the XY model in which the spins are considered as continuous variables, free to point in any direction of the xy plane. We also consider a magnetocrystalline anisotropy, exchange anisotropy and the Zeeman effect. Our model is studied in a lattice with square symmetry, using the Monte Carlo method along with the Metropolis prescription. The results show that in the absence of an external magnetic field and exchange anisotropy, the system continuously goes to a disordered state from an ordered state at a well defined temperature. In the presence of external magnetic fields the system displays the exchange bias phenomenon, that is, the displacement of the hysteresis loops, due to the introduction of the exchange anisotropy term. However, this displacement depends on the core and shell sizes, as well as on the magnitude of the coupling between the shell and the core moments.

Universality away from critical points in a thermostatistical model

NASA Astrophysics Data System (ADS)

Lapilli, C. M.; Wexler, C.; Pfeifer, P.

Nature uses phase transitions as powerful regulators of processes ranging from climate to the alteration of phase behavior of cell membranes to protect cells from cold, building on the fact that thermodynamic properties of a solid, liquid, or gas are sensitive fingerprints of intermolecular interactions. The only known exceptions from this sensitivity are critical points. At a critical point, two phases become indistinguishable and thermodynamic properties exhibit universal behavior: systems with widely different intermolecular interactions behave identically. Here we report a major counterexample. We show that different members of a family of two-dimensional systems —the discrete p-state clock model— with different Hamiltonians describing different microscopic interactions between molecules or spins, may exhibit identical thermodynamic behavior over a wide range of temperatures. The results generate a comprehensive map of the phase diagram of the model and, by virtue of the discrete rotors behaving like continuous rotors, an emergent symmetry, not present in the Hamiltonian. This symmetry, or many-to-one map of intermolecular interactions onto thermodynamic states, demonstrates previously unknown limits for macroscopic distinguishability of different microscopic interactions.

Water Drainage from Unsaturated Soils in a Centrifuge Permeameter

NASA Astrophysics Data System (ADS)

Ornelas, G.; McCartney, J.; Zhang, M.

2013-12-01

This study involves an analysis of water drainage from an initially saturated silt layer in a centrifuge permeameter to evaluate the hydraulic properties of the soil layer in unsaturated conditions up to the point where the water phase becomes discontinuous. These properties include the soil water retention curve (SWRC) and the hydraulic conductivity function (HCF). The hydraulic properties of unsaturated silt are used in soil-atmosphere interaction models that take into account the role of infiltration and evaporation of water from soils due to atmospheric interaction. These models are often applied in slope stability analyses, landfill cover design, aquifer recharge analyses, and agricultural engineering. The hydraulic properties are also relevant to recent research concerning geothermal heating and cooling, as they can be used to assess the insulating effects of soil around underground heat exchangers. This study employs a high-speed geotechnical centrifuge to increase the self-weight of a compacted silt specimen atop a filter plate. Under a centrifuge acceleration of N times earth's gravity, the concept of geometric similitude indicates that the water flow process in a small-scale soil layer will be similar to those in a soil layer in the field that is N times thicker. The centrifuge acceleration also results in an increase in the hydraulic gradient across the silt specimen, which causes water to flow out of the pores following Darcy's law. The drainage test was performed until the rate of liquid water flow out of the soil layer slowed to a negligible level, which corresponds to the transition point at which further water flow can only occur due to water vapor diffusion following Fick's law. The data from the drainage test in the centrifuge were used to determine the SWRC and HCF at different depths in the silt specimen, which compared well with similar properties defined using other laboratory tests. The transition point at which liquid water flow stopped (and Darcy's law is no longer valid) was at a relatively high degree of saturation of 0.8. This finding is important as many water flow analyses in the literature assume that Darcy's law is valid over a much wider range of degrees of saturation, an error that potentially may lead to overestimates of water flow in unsaturated soil layers.

Human-robot interaction: kinematics and muscle activity inside a powered compliant knee exoskeleton.

PubMed

Knaepen, Kristel; Beyl, Pieter; Duerinck, Saartje; Hagman, Friso; Lefeber, Dirk; Meeusen, Romain

2014-11-01

Until today it is not entirely clear how humans interact with automated gait rehabilitation devices and how we can, based on that interaction, maximize the effectiveness of these exoskeletons. The goal of this study was to gain knowledge on the human-robot interaction, in terms of kinematics and muscle activity, between a healthy human motor system and a powered knee exoskeleton (i.e., KNEXO). Therefore, temporal and spatial gait parameters, human joint kinematics, exoskeleton kinetics and muscle activity during four different walking trials in 10 healthy male subjects were studied. Healthy subjects can walk with KNEXO in patient-in-charge mode with some slight constraints in kinematics and muscle activity primarily due to inertia of the device. Yet, during robot-in-charge walking the muscular constraints are reversed by adding positive power to the leg swing, compensating in part this inertia. Next to that, KNEXO accurately records and replays the right knee kinematics meaning that subject-specific trajectories can be implemented as a target trajectory during assisted walking. No significant differences in the human response to the interaction with KNEXO in low and high compliant assistance could be pointed out. This is in contradiction with our hypothesis that muscle activity would decrease with increasing assistance. It seems that the differences between the parameter settings of low and high compliant control might not be sufficient to observe clear effects in healthy subjects. Moreover, we should take into account that KNEXO is a unilateral, 1 degree-of-freedom device.

Multi-scale sensitivity analysis of pile installation using DEM

NASA Astrophysics Data System (ADS)

Esposito, Ricardo Gurevitz; Velloso, Raquel Quadros; , Eurípedes do Amaral Vargas, Jr.; Danziger, Bernadete Ragoni

2017-12-01

The disturbances experienced by the soil due to the pile installation and dynamic soil-structure interaction still present major challenges to foundation engineers. These phenomena exhibit complex behaviors, difficult to measure in physical tests and to reproduce in numerical models. Due to the simplified approach used by the discrete element method (DEM) to simulate large deformations and nonlinear stress-dilatancy behavior of granular soils, the DEM consists of an excellent tool to investigate these processes. This study presents a sensitivity analysis of the effects of introducing a single pile using the PFC2D software developed by Itasca Co. The different scales investigated in these simulations include point and shaft resistance, alterations in porosity and stress fields and particles displacement. Several simulations were conducted in order to investigate the effects of different numerical approaches showing indications that the method of installation and particle rotation could influence greatly in the conditions around the numerical pile. Minor effects were also noted due to change in penetration velocity and pile-soil friction. The difference in behavior of a moving and a stationary pile shows good qualitative agreement with previous experimental results indicating the necessity of realizing a force equilibrium process prior to any load-test to be simulated.

The Fermi Galactic Center GeV excess and implications for dark matter

DOE PAGES

Ackermann, M.; Ajello, M.; Albert, A.; ...

2017-05-04

Here, the region around the Galactic Center (GC) is now well established to be brighter at energies of a few GeV than what is expected from conventional models of diffuse gamma-ray emission and catalogs of known gamma-ray sources. We study the GeV excess using 6.5 yr of data from the Fermi Large Area Telescope. We characterize the uncertainty of the GC excess spectrum and morphology due to uncertainties in cosmic-ray source distributions and propagation, uncertainties in the distribution of interstellar gas in the Milky Way, and uncertainties due to a potential contribution from the Fermi bubbles. We also evaluate uncertaintiesmore » in the excess properties due to resolved point sources of gamma rays. The GC is of particular interest, as it would be expected to have the brightest signal from annihilation of weakly interacting massive dark matter (DM) particles. However, control regions along the Galactic plane, where a DM signal is not expected, show excesses of similar amplitude relative to the local background. Furthermore, based on the magnitude of the systematic uncertainties, we conservatively report upper limits for the annihilation cross-section as a function of particle mass and annihilation channel.« less

Multi-scale sensitivity analysis of pile installation using DEM

NASA Astrophysics Data System (ADS)

Esposito, Ricardo Gurevitz; Velloso, Raquel Quadros; , Eurípedes do Amaral Vargas, Jr.; Danziger, Bernadete Ragoni

2018-07-01

The disturbances experienced by the soil due to the pile installation and dynamic soil-structure interaction still present major challenges to foundation engineers. These phenomena exhibit complex behaviors, difficult to measure in physical tests and to reproduce in numerical models. Due to the simplified approach used by the discrete element method (DEM) to simulate large deformations and nonlinear stress-dilatancy behavior of granular soils, the DEM consists of an excellent tool to investigate these processes. This study presents a sensitivity analysis of the effects of introducing a single pile using the PFC2D software developed by Itasca Co. The different scales investigated in these simulations include point and shaft resistance, alterations in porosity and stress fields and particles displacement. Several simulations were conducted in order to investigate the effects of different numerical approaches showing indications that the method of installation and particle rotation could influence greatly in the conditions around the numerical pile. Minor effects were also noted due to change in penetration velocity and pile-soil friction. The difference in behavior of a moving and a stationary pile shows good qualitative agreement with previous experimental results indicating the necessity of realizing a force equilibrium process prior to any load-test to be simulated.

The Fermi Galactic Center GeV Excess and Implications for Dark Matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ackermann, M.; Buehler, R.; Ajello, M.

2017-05-01

The region around the Galactic Center (GC) is now well established to be brighter at energies of a few GeV than what is expected from conventional models of diffuse gamma-ray emission and catalogs of known gamma-ray sources. We study the GeV excess using 6.5 yr of data from the Fermi Large Area Telescope. We characterize the uncertainty of the GC excess spectrum and morphology due to uncertainties in cosmic-ray source distributions and propagation, uncertainties in the distribution of interstellar gas in the Milky Way, and uncertainties due to a potential contribution from the Fermi bubbles. We also evaluate uncertainties inmore » the excess properties due to resolved point sources of gamma rays. The GC is of particular interest, as it would be expected to have the brightest signal from annihilation of weakly interacting massive dark matter (DM) particles. However, control regions along the Galactic plane, where a DM signal is not expected, show excesses of similar amplitude relative to the local background. Based on the magnitude of the systematic uncertainties, we conservatively report upper limits for the annihilation cross-section as a function of particle mass and annihilation channel.« less

Ultrafast electron-optical phonon scattering and quasiparticle lifetime in CVD-grown graphene.

PubMed

Shang, Jingzhi; Yu, Ting; Lin, Jianyi; Gurzadyan, Gagik G

2011-04-26

Ultrafast quasiparticle dynamics in graphene grown by chemical vapor deposition (CVD) has been studied by UV pump/white-light probe spectroscopy. Transient differential transmission spectra of monolayer graphene are observed in the visible probe range (400-650 nm). Kinetics of the quasiparticle (i.e., low-energy single-particle excitation with renormalized energy due to electron-electron Coulomb, electron-optical phonon (e-op), and optical phonon-acoustic phonon (op-ap) interactions) was monitored with 50 fs resolution. Extending the probe range to near-infrared, we find the evolution of quasiparticle relaxation channels from monoexponential e-op scattering to double exponential decay due to e-op and op-ap scattering. Moreover, quasiparticle lifetimes of mono- and randomly stacked graphene films are obtained for the probe photon energies continuously from 1.9 to 2.3 eV. Dependence of quasiparticle decay rate on the probe energy is linear for 10-layer stacked graphene films. This is due to the dominant e-op intervalley scattering and the linear density of states in the probed electronic band. A dimensionless coupling constant W is derived, which characterizes the scattering strength of quasiparticles by lattice points in graphene.

Implosive Collapse about Magnetic Null Points: A Quantitative Comparison between 2D and 3D Nulls

NASA Astrophysics Data System (ADS)

Thurgood, Jonathan O.; Pontin, David I.; McLaughlin, James A.

2018-03-01

Null collapse is an implosive process whereby MHD waves focus their energy in the vicinity of a null point, forming a current sheet and initiating magnetic reconnection. We consider, for the first time, the case of collapsing 3D magnetic null points in nonlinear, resistive MHD using numerical simulation, exploring key physical aspects of the system as well as performing a detailed parameter study. We find that within a particular plane containing the 3D null, the plasma and current density enhancements resulting from the collapse are quantitatively and qualitatively as per the 2D case in both the linear and nonlinear collapse regimes. However, the scaling with resistivity of the 3D reconnection rate—which is a global quantity—is found to be less favorable when the magnetic null point is more rotationally symmetric, due to the action of increased magnetic back-pressure. Furthermore, we find that, with increasing ambient plasma pressure, the collapse can be throttled, as is the case for 2D nulls. We discuss this pressure-limiting in the context of fast reconnection in the solar atmosphere and suggest mechanisms by which it may be overcome. We also discuss the implications of the results in the context of null collapse as a trigger mechanism of Oscillatory Reconnection, a time-dependent reconnection mechanism, and also within the wider subject of wave–null point interactions. We conclude that, in general, increasingly rotationally asymmetric nulls will be more favorable in terms of magnetic energy release via null collapse than their more symmetric counterparts.

Tellurite-exposed Escherichia coli exhibits increased intracellular {alpha}-ketoglutarate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reinoso, Claudia A.; Auger, Christopher; Appanna, Vasu D.

2012-05-18

Highlights: Black-Right-Pointing-Pointer Tellurite-exposed E. coli exhibits decreased {alpha}-KG dehydrogenase activity. Black-Right-Pointing-Pointer Cells lacking {alpha}-KGDH genes are more sensitive to ROS than isogenic, wt E. coli. Black-Right-Pointing-Pointer KG accumulation may serve to face tellurite-mediated oxidative damage in E. coli. -- Abstract: The tellurium oxyanion tellurite is toxic to most organisms because of its ability to generate oxidative stress. However, the detailed mechanism(s) how this toxicant interferes with cellular processes have yet to be fully understood. As part of our effort to decipher the molecular interactions of tellurite with living systems, we have evaluated the global metabolism of {alpha}-ketoglutarate a known antioxidantmore » in Escherichia coli. Tellurite-exposed cells displayed reduced activity of the KG dehydrogenase complex (KGDHc), resulting in increased intracellular KG content. This complex's reduced activity seems to be due to decreased transcription in the stressed cells of sucA, a gene that encodes the E1 component of KGDHc. Furthermore, it was demonstrated that the increase in total reactive oxygen species and superoxide observed upon tellurite exposure was more evident in wild type cells than in E. coli with impaired KGDHc activity. These results indicate that KG may be playing a pivotal role in combating tellurite-mediated oxidative damage.« less

Analysis of the two-point velocity correlations in turbulent boundary layer flows

NASA Technical Reports Server (NTRS)

Oberlack, M.

1995-01-01

The general objective of the present work is to explore the use of Rapid Distortion Theory (RDT) in analysis of the two-point statistics of the log-layer. RDT is applicable only to unsteady flows where the non-linear turbulence-turbulence interaction can be neglected in comparison to linear turbulence-mean interactions. Here we propose to use RDT to examine the structure of the large energy-containing scales and their interaction with the mean flow in the log-region. The contents of the work are twofold: First, two-point analysis methods will be used to derive the law-of-the-wall for the special case of zero mean pressure gradient. The basic assumptions needed are one-dimensionality in the mean flow and homogeneity of the fluctuations. It will be shown that a formal solution of the two-point correlation equation can be obtained as a power series in the von Karman constant, known to be on the order of 0.4. In the second part, a detailed analysis of the two-point correlation function in the log-layer will be given. The fundamental set of equations and a functional relation for the two-point correlation function will be derived. An asymptotic expansion procedure will be used in the log-layer to match Kolmogorov's universal range and the one-point correlations to the inviscid outer region valid for large correlation distances.

A unification of mediation and interaction: a four-way decomposition

PubMed Central

VanderWeele, Tyler J.

2014-01-01

It is shown that the overall effect of an exposure on an outcome, in the presence of a mediator with which the exposure may interact, can be decomposed into four components: (i) the effect of the exposure in the absence of the mediator, (ii) the interactive effect when the mediator is left to what it would be in the absence of exposure, (iii) a mediated interaction, and (iv) a pure mediated effect. These four components, respectively, correspond to the portion of the effect that is due to neither mediation nor interaction, to just interaction (but not mediation), to both mediation and interaction, and to just mediation (but not interaction). This four-way decomposition unites methods that attribute effects to interactions and methods that assess mediation. Certain combinations of these four components correspond to measures for mediation, while other combinations correspond to measures of interaction previously proposed in the literature. Prior decompositions in the literature are in essence special cases of this four-way decomposition. The four-way decomposition can be carried out using standard statistical models, and software is provided to estimate each of the four components. The four-way decomposition provides maximum insight into how much of an effect is mediated, how much is due to interaction, how much is due to both mediation and interaction together, and how much is due to neither. PMID:25000145

Linear summation of outputs in a balanced network model of motor cortex

PubMed Central

Capaday, Charles; van Vreeswijk, Carl

2015-01-01

Given the non-linearities of the neural circuitry's elements, we would expect cortical circuits to respond non-linearly when activated. Surprisingly, when two points in the motor cortex are activated simultaneously, the EMG responses are the linear sum of the responses evoked by each of the points activated separately. Additionally, the corticospinal transfer function is close to linear, implying that the synaptic interactions in motor cortex must be effectively linear. To account for this, here we develop a model of motor cortex composed of multiple interconnected points, each comprised of reciprocally connected excitatory and inhibitory neurons. We show how non-linearities in neuronal transfer functions are eschewed by strong synaptic interactions within each point. Consequently, the simultaneous activation of multiple points results in a linear summation of their respective outputs. We also consider the effects of reduction of inhibition at a cortical point when one or more surrounding points are active. The network response in this condition is linear over an approximately two- to three-fold decrease of inhibitory feedback strength. This result supports the idea that focal disinhibition allows linear coupling of motor cortical points to generate movement related muscle activation patterns; albeit with a limitation on gain control. The model also explains why neural activity does not spread as far out as the axonal connectivity allows, whilst also explaining why distant cortical points can be, nonetheless, functionally coupled by focal disinhibition. Finally, we discuss the advantages that linear interactions at the cortical level afford to motor command synthesis. PMID:26097452

Motion in a modified Chermnykh's restricted three-body problem with oblateness

NASA Astrophysics Data System (ADS)

Singh, Jagadish; Leke, Oni

2014-03-01

In this paper, the restricted problem of three bodies is generalized to include a case when the passively gravitating test particle is an oblate spheroid under effect of small perturbations in the Coriolis and centrifugal forces when the first primary is a source of radiation and the second one an oblate spheroid, coupled with the influence of the gravitational potential from the belt. The equilibrium points are found and it is seen that, in addition to the usual three collinear equilibrium points, there appear two new ones due to the potential from the belt and the mass ratio. Two triangular equilibrium points exist. These equilibria are affected by radiation of the first primary, small perturbation in the centrifugal force, oblateness of both the test particle and second primary and the effect arising from the mass of the belt. The linear stability of the equilibrium points is explored and the stability outcome of the collinear equilibrium points remains unstable. In the case of the triangular points, motion is stable with respect to some conditions which depend on the critical mass parameter; influenced by the small perturbations, radiating effect of the first primary, oblateness of the test body and second primary and the gravitational potential from the belt. The effects of each of the imposed free parameters are analyzed. The potential from the belt and small perturbation in the Coriolis force are stabilizing parameters while radiation, small perturbation in the centrifugal force and oblateness reduce the stable regions. The overall effect is that the region of stable motion increases under the combine action of these parameters. We have also found the frequencies of the long and short periodic motion around stable triangular points. Illustrative numerical exploration is rendered in the Sun-Jupiter and Sun-Earth systems where we show that in reality, for some values of the system parameters, the additional equilibrium points do not in general exist even when there is a belt to interact with.

Fluid Structure Interaction in a Turbine Blade

NASA Technical Reports Server (NTRS)

Gorla, Rama S. R.

2004-01-01

An unsteady, three dimensional Navier-Stokes solution in rotating frame formulation for turbomachinery applications is presented. Casting the governing equations in a rotating frame enabled the freezing of grid motion and resulted in substantial savings in computer time. The turbine blade was computationally simulated and probabilistically evaluated in view of several uncertainties in the aerodynamic, structural, material and thermal variables that govern the turbine blade. The interconnection between the computational fluid dynamics code and finite element structural analysis code was necessary to couple the thermal profiles with the structural design. The stresses and their variations were evaluated at critical points on the Turbine blade. Cumulative distribution functions and sensitivity factors were computed for stress responses due to aerodynamic, geometric, mechanical and thermal random variables.

Walks of bubbles on a hot wire in a liquid bath

NASA Astrophysics Data System (ADS)

Duchesne, A.; Caps, H.

2017-05-01

When a horizontal resistive wire is heated up to the boiling point in a subcooled liquid bath, some vapor bubbles nucleate on its surface. The traditional nucleate boiling theory predicts that bubbles generated from active nucleate sites grow up and depart from the heating surface due to buoyancy and inertia. However, we observed here a different behavior: the bubbles slide along the heated wire. In this situation, unexpected regimes are observed; from the simple sliding motion to bubble clustering. We noticed that bubbles could rapidly change their moving direction and may also interact. Finally, we propose an interpretation for both the attraction between the bubbles and the wire and for the motion of the bubbles on the wire in terms of Marangoni effects.

Virtual reality environments for post-stroke arm rehabilitation.

PubMed

Subramanian, Sandeep; Knaut, Luiz A; Beaudoin, Christian; McFadyen, Bradford J; Feldman, Anatol G; Levin, Mindy F

2007-06-22

Optimal practice and feedback elements are essential requirements for maximal motor recovery in patients with motor deficits due to central nervous system lesions. A virtual environment (VE) was created that incorporates practice and feedback elements necessary for maximal motor recovery. It permits varied and challenging practice in a motivating environment that provides salient feedback. The VE gives the user knowledge of results feedback about motor behavior and knowledge of performance feedback about the quality of pointing movements made in a virtual elevator. Movement distances are related to length of body segments. We describe an immersive and interactive experimental protocol developed in a virtual reality environment using the CAREN system. The VE can be used as a training environment for the upper limb in patients with motor impairments.

Comment on "Propagation of a TE surface mode in a relativistic electron beam-quantum plasma system" [Phys. Lett. A 376 (2012) 169

NASA Astrophysics Data System (ADS)

Moradi, Afshin

2016-07-01

In a recent paper Abdel Aziz [Phys. Lett. A 376 (2012) 169] obtained the dispersion properties of TE surface modes propagating at the interface between a magnetized quantum plasma and vacuum in the Faraday configuration, where these TE surface waves are excited during the interaction of relativistic electron beam with magnetized quantum plasma. The present Comment points out that in the Faraday configuration the surface waves acquire both TM and TE components due to the cyclotron motion of electrons. Therefore, the TE surface waves cannot propagate on surface of the present system and the general dispersion relations for surface waves, derived by Abdel Aziz are incorrect.

Nonlinear beat excitation of low frequency wave in degenerate plasmas

NASA Astrophysics Data System (ADS)

Mir, Zahid; Shahid, M.; Jamil, M.; Rasheed, A.; Shahbaz, A.

2018-03-01

The beat phenomenon due to the coupling of two signals at slightly different frequencies that generates the low frequency signal is studied. The linear dispersive properties of the pump and sideband are analyzed. The modified nonlinear dispersion relation through the field coupling of linear modes against the beat frequency is derived in the homogeneous quantum dusty magnetoplasmas. The dispersion relation is used to derive the modified growth rate of three wave parametric instability. Moreover, significant quantum effects of electrons through the exchange-correlation potential, the Bohm potential, and the Fermi pressure evolved in macroscopic three wave interaction are presented. The analytical results are interpreted graphically describing the significance of the work. The applications of this study are pointed out at the end of introduction.

Recovery of gold from electronic waste using chemical assisted microbial biosorption (hybrid) technique.

PubMed

Sheel, Anvita; Pant, Deepak

2018-01-01

The aim of present study was to develop a modified method of gold recovery from e-waste. Selective biosorption of gold from contact point of printed circuit board was achieved by using the combination of ammonium thiosulfate (AT) and Lactobacillus acidophilus (LA).Improvement in biosorption was due to the π-π interaction and resultant change in amide absorption bond between AT and LA, as evidenced by infrared spectroscopy. Selection was justified by some basic postulates of ionic radii and confirmed by inductively coupled plasma atomic emission spectroscopy. This methodology provides a unique leaching-sorption method for gold recovery and 85% of gold was recovered (from AT leachant) by the proposed combination. Copyright © 2017 Elsevier Ltd. All rights reserved.

Integrating opto-thermo-mechanical design tools: open engineering's project presentation

NASA Astrophysics Data System (ADS)

De Vincenzo, P.; Klapka, Igor

2017-11-01

An integrated numerical simulation package dedicated to the analysis of the coupled interactions of optical devices is presented. To reduce human interventions during data transfers, it is based on in-memory communications between the structural analysis software OOFELIE and the optical design application ZEMAX. It allows the automated enhancement of the existing optical design with information related to the deformations of optical surfaces due to thermomechanical solicitations. From the knowledge of these deformations, a grid of points or a decomposition based on Zernike polynomials can be generated for each surface. These data are then applied to the optical design. Finally, indicators can be retrieved from ZEMAX in order to compare the optical performances with those of the system in its nominal configuration.

Hydration of Caffeine at High Temperature by Neutron Scattering and Simulation Studies.

PubMed

Tavagnacco, L; Brady, J W; Bruni, F; Callear, S; Ricci, M A; Saboungi, M L; Cesàro, A

2015-10-22

The solvation of caffeine in water is examined with neutron diffraction experiments at 353 K. The experimental data, obtained by taking advantage of isotopic H/D substitution in water, were analyzed by empirical potential structure refinement (EPSR) in order to extract partial structure factors and site-site radial distribution functions. In parallel, molecular dynamics (MD) simulations were carried out to interpret the data and gain insight into the intermolecular interactions in the solutions and the solvation process. The results obtained with the two approaches evidence differences in the individual radial distribution functions, although both confirm the presence of caffeine stacks at this temperature. The two approaches point to different accessibility of water to the caffeine sites due to different stacking configurations.

Sensitivity to perturbations and quantum phase transitions.

PubMed

Wisniacki, D A; Roncaglia, A J

2013-05-01

The local density of states or its Fourier transform, usually called fidelity amplitude, are important measures of quantum irreversibility due to imperfect evolution. In this Rapid Communication we study both quantities in a paradigmatic many body system, the Dicke Hamiltonian, where a single-mode bosonic field interacts with an ensemble of N two-level atoms. This model exhibits a quantum phase transition in the thermodynamic limit, while for finite instances the system undergoes a transition from quasi-integrability to quantum chaotic. We show that the width of the local density of states clearly points out the imprints of the transition from integrability to chaos but no trace remains of the quantum phase transition. The connection with the decay of the fidelity amplitude is also established.

Dual Vector Spaces and Physical Singularities

NASA Astrophysics Data System (ADS)

Rowlands, Peter

Though we often refer to 3-D vector space as constructed from points, there is no mechanism from within its definition for doing this. In particular, space, on its own, cannot accommodate the singularities that we call fundamental particles. This requires a commutative combination of space as we know it with another 3-D vector space, which is dual to the first (in a physical sense). The combination of the two spaces generates a nilpotent quantum mechanics/quantum field theory, which incorporates exact supersymmetry and ultimately removes the anomalies due to self-interaction. Among the many natural consequences of the dual space formalism are half-integral spin for fermions, zitterbewegung, Berry phase and a zero norm Berwald-Moor metric for fermionic states.

An object-based approach for detecting small brain lesions: application to Virchow-Robin spaces.

PubMed

Descombes, Xavier; Kruggel, Frithjof; Wollny, Gert; Gertz, Hermann Josef

2004-02-01

This paper is concerned with the detection of multiple small brain lesions from magnetic resonance imaging (MRI) data. A model based on the marked point process framework is designed to detect Virchow-Robin spaces (VRSs). These tubular shaped spaces are due to retraction of the brain parenchyma from its supplying arteries. VRS are described by simple geometrical objects that are introduced as small tubular structures. Their radiometric properties are embedded in a data term. A prior model includes interactions describing the clustering property of VRS. A Reversible Jump Markov Chain Monte Carlo algorithm (RJMCMC) optimizes the proposed model, obtained by multiplying the prior and the data model. Example results are shown on T1-weighted MRI datasets of elderly subjects.

Development of methods for the analysis of multi-mode TFM images

NASA Astrophysics Data System (ADS)

Sy, K.; Bredif, P.; Iakovleva, E.; Roy, O.; Lesselier, D.

2018-05-01

TFM (Total Focusing Method) is an advanced post-processing imaging algorithm of ultrasonic array data that shows good potential in defect detection and characterization. It can be employed using an infinite number of paths between transducer and focusing point. Depending upon the geometry and the characteristics of the defect in a given part, there are not the same modes that are appropriate for the defect reconstruction. Furthermore, non-physical indications can be observed, prone to misinterpretation. These imaging artifacts are due to the coexistence of several contributions involving several modes of propagation and interactions with possible defects and/or the geometry of the part. Two methods for filtering artifacts and reducing the number of TFM images are developed and illustrated.

Investigation of Kibble-Zurek Quench Dynamics in a Spin-1 Ferromagnetic BEC

NASA Astrophysics Data System (ADS)

Anquez, Martin; Robbins, Bryce; Hoang, Thai; Yang, Xiaoyun; Land, Benjamin; Hamley, Christopher; Chapman, Michael

2014-05-01

We study the temporal evolution of spin populations in small spin-1 87Rb condensates following a slow quench. A ferromagnetic spin-1 BEC exhibits a second-order gapless (quantum) phase transition due to a competition between the magnetic and collisional spin interaction energies. The dynamics of slow quenches through the critical point are predicted to exhibit universal power-law scaling as a function of quench speed. In spatially extended condensates, these excitations are revealed as spatial spin domains. In small condensates, the excitations are manifest in the temporal evolution of the spin populations, illustrating a Kibble-Zurek type scaling. We will present the results of our investigation and compare them to full quantum simulations of the system.

Ground calibration of the spatial response and quantum efficiency of the CdZnTe hard x-ray detectors for NuSTAR

NASA Astrophysics Data System (ADS)

Grefenstette, Brian W.; Bhalerao, Varun; Cook, W. Rick; Harrison, Fiona A.; Kitaguchi, Takao; Madsen, Kristin K.; Mao, Peter H.; Miyasaka, Hiromasa; Rana, Vikram

2017-08-01

Pixelated Cadmium Zinc Telluride (CdZnTe) detectors are currently flying on the Nuclear Spectroscopic Telescope ARray (NuSTAR) NASA Astrophysics Small Explorer. While the pixel pitch of the detectors is ≍ 605 μm, we can leverage the detector readout architecture to determine the interaction location of an individual photon to much higher spatial accuracy. The sub-pixel spatial location allows us to finely oversample the point spread function of the optics and reduces imaging artifacts due to pixelation. In this paper we demonstrate how the sub-pixel information is obtained, how the detectors were calibrated, and provide ground verification of the quantum efficiency of our Monte Carlo model of the detector response.

Spectroscopic studies on the interaction of cimetidine drug with biologically significant σ- and π-acceptors

NASA Astrophysics Data System (ADS)

Pandeeswaran, M.; Elango, K. P.

2010-05-01

Spectroscopic studies revealed that the interaction of cimetidine drug with electron acceptors iodine and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) resulted through the initial formation of ionic intermediate to charge transfer (CT) complex. The CT-complexes of the interactions have been characterized using UV-vis, 1H NMR, FT-IR and GC-MS techniques. The formation of triiodide ion, I 3-, is further confirmed by the observation of the characteristic bands in the far IR spectrum for non-linear I 3- ion with C s symmetry at 156 and 131 cm -1 assigned to νas(I-I) and νs(I-I) of the I-I bond and at 73 cm -1 due to bending δ(I 3-). The rate of formation of the CT-complexes has been measured and discussed as a function of relative permittivity of solvent and temperature. The influence of relative permittivity of the medium on the rate indicated that the intermediate is more polar than the reactants and this observation was further supported by spectral studies. Based on the spectroscopic results plausible mechanisms for the interaction of the drug with the chosen acceptors were proposed and discussed and the point of attachment of the multifunctional cimetidine drug with these acceptors during the formation of CT-complex has been established.

Stress Wave Interaction Between Two Adjacent Blast Holes

NASA Astrophysics Data System (ADS)

Yi, Changping; Johansson, Daniel; Nyberg, Ulf; Beyglou, Ali

2016-05-01

Rock fragmentation by blasting is determined by the level and state of stress in the rock mass subjected to blasting. With the application of electronic detonators, some researchers stated that it is possible to achieve improved fragmentation through stress wave superposition with very short delay times. This hypothesis was studied through theoretical analysis in the paper. First, the stress in rock mass induced by a single-hole shot was analyzed with the assumptions of infinite velocity of detonation and infinite charge length. Based on the stress analysis of a single-hole shot, the stress history and tensile stress distribution between two adjacent holes were presented for cases of simultaneous initiation and 1 ms delayed initiation via stress superposition. The results indicated that the stress wave interaction is local around the collision point. Then, the tensile stress distribution at the extended line of two adjacent blast holes was analyzed for a case of 2 ms delay. The analytical results showed that the tensile stress on the extended line increases due to the stress wave superposition under the assumption that the influence of neighboring blast hole on the stress wave propagation can be neglected. However, the numerical results indicated that this assumption is unreasonable and yields contrary results. The feasibility of improving fragmentation via stress wave interaction with precise initiation was also discussed. The analysis in this paper does not support that the interaction of stress waves improves the fragmentation.

Deterrent effects of demerit points and license sanctions on drivers' traffic law violations using a proportional hazard model.

PubMed

Lee, Jaeyeong; Park, Byung-Jung; Lee, Chungwon

2018-04-01

Current traffic law enforcement places an emphasis on reducing accident risk from human factors such as drunk driving and speeding. Among the various strategies implemented, demerit points and license sanction systems have been widely used as punitive and educational measures. Limitations, however, exist in previous studies in terms of estimating the interaction effects of demerit points and license sanctions. To overcome such limitations, this work focused on identifying the interaction effects of demerit points and license sanctions on driver traffic violation behavior. The interaction deterrent effects were assessed by using a Cox's proportional hazard model to provide a more accurate and unbiased estimation. For this purpose, five years of driver conviction data was obtained from the Korea National Police Agency (KNPA). This data included personal characteristics, demerit point accumulation and license sanction status. The analysis showed that accumulated demerit points had specific deterrent effects. Additionally, license revocation showed consistent and significant deterrent effects, greater than those for suspension. Male drivers under their 30s holding a motorcycle license were identified as the most violation-prone driver group, suggesting that stricter testing for the acquisition of a motorcycle driver's license is needed. Copyright © 2018 Elsevier Ltd. All rights reserved.

Convective aggregation in realistic convective-scale simulations

NASA Astrophysics Data System (ADS)

Holloway, Christopher E.

2017-06-01

To investigate the real-world relevance of idealized-model convective self-aggregation, five 15 day cases of real organized convection in the tropics are simulated. These include multiple simulations of each case to test sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. These simulations are compared to self-aggregation seen in the same model configured to run in idealized radiative-convective equilibrium. Analysis of the budget of the spatial variance of column-integrated frozen moist static energy shows that control runs have significant positive contributions to organization from radiation and negative contributions from surface fluxes and transport, similar to idealized runs once they become aggregated. Despite identical lateral boundary conditions for all experiments in each case, systematic differences in mean column water vapor (CWV), CWV distribution shape, and CWV autocorrelation length scale are found between the different sensitivity runs, particularly for those without interactive radiation, showing that there are at least some similarities in sensitivities to these feedbacks in both idealized and realistic simulations (although the organization of precipitation shows less sensitivity to interactive radiation). The magnitudes and signs of these systematic differences are consistent with a rough equilibrium between (1) equalization due to advection from the lateral boundaries and (2) disaggregation due to the absence of interactive radiation, implying disaggregation rates comparable to those in idealized runs with aggregated initial conditions and noninteractive radiation. This points to a plausible similarity in the way that radiation feedbacks maintain aggregated convection in both idealized simulations and the real world.