What galaxy masses perturb the local cosmic expansion?

NASA Astrophysics Data System (ADS)

Peñarrubia, Jorge; Fattahi, Azadeh

2017-06-01

We use 12 cosmological N-body simulations of Local Group systems (the apostle models) to inspect the relation between the virial mass of the main haloes (Mvir,1 and Mvir,2), the mass derived from the relative motion of the halo pair (Mtim), and that inferred from the local Hubble flow (Mlhf). We show that within the spherical collapse model (SCM), the correspondence between the three mass estimates is exact, I.e. Mlhf = Mtim = Mvir,1 + Mvir,2. However, comparison with apostle simulations reveals that, contrary to what the SCM states, a relatively large fraction of the mass that perturbs the local Hubble flow and drives the relative trajectory of the main galaxies is not contained within Rvir, and that the amount of 'extravirial' mass tends to increase in galaxies with a slow accretion rate. In contrast, modelling the peculiar velocities around the Local Group returns an unbiased constraint on the virial mass ratio of the main galaxy pair. Adopting the outer halo profile found in N-body simulations, which scales as ρ ˜ R-4 at R ≳ Rvir, indicates that the galaxy masses perturbing the local Hubble flow roughly correspond to the asymptotically convergent (total) masses of the individual haloes. We show that estimates of Mvir based on the dynamics of tracers at R ≫ Rvir require a priori information on the internal matter distribution and the growth rate of the main galaxies, both of which are typically difficult to quantify.

Growing massive black holes in a Local Group environment: the central supermassive, slowly sinking and ejected populations

NASA Astrophysics Data System (ADS)

Micic, Miroslav; Holley-Bockelmann, Kelly; Sigurdsson, Steinn

2011-06-01

We explore the growth of ≤107 M⊙ black holes that reside at the centres of spiral and field dwarf galaxies in a Local Group type of environment. We use merger trees from a cosmological N-body simulation known as Via Lactea 2 (VL-2) as a framework to test two merger-driven semi-analytic recipes for black hole growth that include dynamical friction, tidal stripping and gravitational wave recoil in over 20 000 merger tree realizations. First, we apply a Fundamental Plane limited (FPL) model to the growth of Sgr A*, which drives the central black hole to a maximum mass limited by the black hole Fundamental Plane after every merger. Next, we present a new model that allows for low-level prolonged gas accretion (PGA) during the merger. We find that both models can generate an Sgr A* mass black hole. We predict a population of massive black holes in local field dwarf galaxies - if the VL-2 simulation is representative of the growth of the Local Group, we predict up to 35 massive black holes (≤106 M⊙) in Local Group field dwarfs. We also predict that hundreds of ≤105 M⊙ black holes fail to merge, and instead populate the Milky Way halo, with the most massive of them at roughly the virial radius. In addition, we find that there may be hundreds of massive black holes ejected from their hosts into the nearby intergalactic medium due to gravitational wave recoil. We discuss how the black hole population in the Local Group field dwarfs may help to constrain the growth mechanism for Sgr A*.

Cosmic Dawn (CoDa): the First Radiation-Hydrodynamics Simulation of Reionization and Galaxy Formation in the Local Universe

NASA Astrophysics Data System (ADS)

Ocvirk, Pierre; Gillet, Nicolas; Shapiro, Paul R.; Aubert, Dominique; Iliev, Ilian T.; Teyssier, Romain; Yepes, Gustavo; Choi, Jun-Hwan; Sullivan, David; Knebe, Alexander; Gottlöber, Stefan; D'Aloisio, Anson; Park, Hyunbae; Hoffman, Yehuda; Stranex, Timothy

2016-12-01

Cosmic reionization by starlight from early galaxies affected their evolution, thereby impacting reionization itself. Star formation suppression, for example, may explain the observed underabundance of Local Group dwarfs relative to N-body predictions for cold dark matter. Reionization modelling requires simulating volumes large enough [˜ (100 Mpc)3] to sample reionization `patchiness', while resolving millions of galaxy sources above ˜108 M⊙ combining gravitational and gas dynamics with radiative transfer. Modelling the Local Group requires initial cosmological density fluctuations pre-selected to form the well-known structures of the Local Universe today. Cosmic Dawn (`CoDa') is the first such fully coupled, radiation-hydrodynamics simulation of reionization of the Local Universe. Our new hybrid CPU-GPU code, RAMSES-CUDATON, performs hundreds of radiative transfer and ionization rate-solver timesteps on the GPUs for each hydro-gravity timestep on the CPUs. CoDa simulated (91Mpc)3 with 40963 particles and cells, to redshift 4.23, on ORNL supercomputer Titan, utilizing 8192 cores and 8192 GPUs. Global reionization ended slightly later than observed. However, a simple temporal rescaling which brings the evolution of ionized fraction into agreement with observations also reconciles ionizing flux density, cosmic star formation history, CMB electron scattering optical depth and galaxy UV luminosity function with their observed values. Photoionization heating suppressed the star formation of haloes below ˜2 × 109 M⊙, decreasing the abundance of faint galaxies around MAB1600 = [-10, -12]. For most of reionization, star formation was dominated by haloes between 1010-1011 M⊙ , so low-mass halo suppression was not reflected by a distinct feature in the global star formation history. Intergalactic filaments display sheathed structures, with hot envelopes surrounding cooler cores, but do not self-shield, unlike regions denser than 100 <ρ>.

Local and Global Gestalt Laws: A Neurally Based Spectral Approach.

PubMed

Favali, Marta; Citti, Giovanna; Sarti, Alessandro

2017-02-01

This letter presents a mathematical model of figure-ground articulation that takes into account both local and global gestalt laws and is compatible with the functional architecture of the primary visual cortex (V1). The local gestalt law of good continuation is described by means of suitable connectivity kernels that are derived from Lie group theory and quantitatively compared with long-range connectivity in V1. Global gestalt constraints are then introduced in terms of spectral analysis of a connectivity matrix derived from these kernels. This analysis performs grouping of local features and individuates perceptual units with the highest salience. Numerical simulations are performed, and results are obtained by applying the technique to a number of stimuli.

Constraining the mass of the Local Group

NASA Astrophysics Data System (ADS)

Carlesi, Edoardo; Hoffman, Yehuda; Sorce, Jenny G.; Gottlöber, Stefan

2017-03-01

The mass of the Local Group (LG) is a crucial parameter for galaxy formation theories. However, its observational determination is challenging - its mass budget is dominated by dark matter that cannot be directly observed. To meet this end, the posterior distributions of the LG and its massive constituents have been constructed by means of constrained and random cosmological simulations. Two priors are assumed - the Λ cold dark matter model that is used to set up the simulations, and an LG model that encodes the observational knowledge of the LG and is used to select LG-like objects from the simulations. The constrained simulations are designed to reproduce the local cosmography as it is imprinted on to the Cosmicflows-2 data base of velocities. Several prescriptions are used to define the LG model, focusing in particular on different recent estimates of the tangential velocity of M31. It is found that (a) different vtan choices affect the peak mass values up to a factor of 2, and change mass ratios of MM31 to MMW by up to 20 per cent; (b) constrained simulations yield more sharply peaked posterior distributions compared with the random ones; (c) LG mass estimates are found to be smaller than those found using the timing argument; (d) preferred Milky Way masses lie in the range of (0.6-0.8) × 1012 M⊙; whereas (e) MM31 is found to vary between (1.0-2.0) × 1012 M⊙, with a strong dependence on the vtan values used.

Ser/Thr Motifs in Transmembrane Proteins: Conservation Patterns and Effects on Local Protein Structure and Dynamics

PubMed Central

del Val, Coral; White, Stephen H.

2014-01-01

We combined systematic bioinformatics analyses and molecular dynamics simulations to assess the conservation patterns of Ser and Thr motifs in membrane proteins, and the effect of such motifs on the structure and dynamics of α-helical transmembrane (TM) segments. We find that Ser/Thr motifs are often present in β-barrel TM proteins. At least one Ser/Thr motif is present in almost half of the sequences of α-helical proteins analyzed here. The extensive bioinformatics analyses and inspection of protein structures led to the identification of molecular transporters with noticeable numbers of Ser/Thr motifs within the TM region. Given the energetic penalty for burying multiple Ser/Thr groups in the membrane hydrophobic core, the observation of transporters with multiple membrane-embedded Ser/Thr is intriguing and raises the question of how the presence of multiple Ser/Thr affects protein local structure and dynamics. Molecular dynamics simulations of four different Ser-containing model TM peptides indicate that backbone hydrogen bonding of membrane-buried Ser/Thr hydroxyl groups can significantly change the local structure and dynamics of the helix. Ser groups located close to the membrane interface can hydrogen bond to solvent water instead of protein backbone, leading to an enhanced local solvation of the peptide. PMID:22836667

The APOSTLE project: Local Group kinematic mass constraints and simulation candidate selection

NASA Astrophysics Data System (ADS)

Fattahi, Azadeh; Navarro, Julio F.; Sawala, Till; Frenk, Carlos S.; Oman, Kyle A.; Crain, Robert A.; Furlong, Michelle; Schaller, Matthieu; Schaye, Joop; Theuns, Tom; Jenkins, Adrian

2016-03-01

We use a large sample of isolated dark matter halo pairs drawn from cosmological N-body simulations to identify candidate systems whose kinematics match that of the Local Group (LG) of galaxies. We find, in agreement with the `timing argument' and earlier work, that the separation and approach velocity of the Milky Way (MW) and Andromeda (M31) galaxies favour a total mass for the pair of ˜5 × 1012 M⊙. A mass this large, however, is difficult to reconcile with the small relative tangential velocity of the pair, as well as with the small deceleration from the Hubble flow observed for the most distant LG members. Halo pairs that match these three criteria have average masses a factor of ˜2 times smaller than suggested by the timing argument, but with large dispersion. Guided by these results, we have selected 12 halo pairs with total mass in the range 1.6-3.6 × 1012 M⊙ for the APOSTLE project (A Project Of Simulating The Local Environment), a suite of hydrodynamical resimulations at various numerical resolution levels (reaching up to ˜104 M⊙ per gas particle) that use the subgrid physics developed for the EAGLE project. These simulations reproduce, by construction, the main kinematics of the MW-M31 pair, and produce satellite populations whose overall number, luminosities, and kinematics are in good agreement with observations of the MW and M31 companions. The APOSTLE candidate systems thus provide an excellent testbed to confront directly many of the predictions of the Λ cold dark matter cosmology with observations of our local Universe.

The tangential velocity of M31: CLUES from constrained simulations

NASA Astrophysics Data System (ADS)

Carlesi, Edoardo; Hoffman, Yehuda; Sorce, Jenny G.; Gottlöber, Stefan; Yepes, Gustavo; Courtois, Hélène; Tully, R. Brent

2016-07-01

Determining the precise value of the tangential component of the velocity of M31 is a non-trivial astrophysical issue that relies on complicated modelling. This has recently lead to conflicting estimates, obtained by several groups that used different methodologies and assumptions. This Letter addresses the issue by computing a Bayesian posterior distribution function of this quantity, in order to measure the compatibility of those estimates with Λ cold dark matter (ΛCDM). This is achieved using an ensemble of Local Group (LG) look-alikes collected from a set of constrained simulations (CSs) of the local Universe, and a standard unconstrained ΛCDM. The latter allows us to build a control sample of LG-like pairs and to single out the influence of the environment in our results. We find that neither estimate is at odds with ΛCDM; however, whereas CSs favour higher values of vtan, the reverse is true for estimates based on LG samples gathered from unconstrained simulations, overlooking the environmental element.

Atomistic Monte Carlo Simulation of Lipid Membranes

PubMed Central

Wüstner, Daniel; Sklenar, Heinz

2014-01-01

Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches. We use our recently devised chain breakage/closure (CBC) local move set in the bond-/torsion angle space with the constant-bond-length approximation (CBLA) for the phospholipid dipalmitoylphosphatidylcholine (DPPC). We demonstrate rapid conformational equilibration for a single DPPC molecule, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol. PMID:24469314

Relevance of Spectral Cues for Auditory Spatial Processing in the Occipital Cortex of the Blind

PubMed Central

Voss, Patrice; Lepore, Franco; Gougoux, Frédéric; Zatorre, Robert J.

2011-01-01

We have previously shown that some blind individuals can localize sounds more accurately than their sighted counterparts when one ear is obstructed, and that this ability is strongly associated with occipital cortex activity. Given that spectral cues are important for monaurally localizing sounds when one ear is obstructed, and that blind individuals are more sensitive to small spectral differences, we hypothesized that enhanced use of spectral cues via occipital cortex mechanisms could explain the better performance of blind individuals in monaural localization. Using positron-emission tomography (PET), we scanned blind and sighted persons as they discriminated between sounds originating from a single spatial position, but with different spectral profiles that simulated different spatial positions based on head-related transfer functions. We show here that a sub-group of early blind individuals showing superior monaural sound localization abilities performed significantly better than any other group on this spectral discrimination task. For all groups, performance was best for stimuli simulating peripheral positions, consistent with the notion that spectral cues are more helpful for discriminating peripheral sources. PET results showed that all blind groups showed cerebral blood flow increases in the occipital cortex; but this was also the case in the sighted group. A voxel-wise covariation analysis showed that more occipital recruitment was associated with better performance across all blind subjects but not the sighted. An inter-regional covariation analysis showed that the occipital activity in the blind covaried with that of several frontal and parietal regions known for their role in auditory spatial processing. Overall, these results support the notion that the superior ability of a sub-group of early-blind individuals to localize sounds is mediated by their superior ability to use spectral cues, and that this ability is subserved by cortical processing in the occipital cortex. PMID:21716600

Quenching and ram pressure stripping of simulated Milky Way satellite galaxies

NASA Astrophysics Data System (ADS)

Simpson, Christine; Grand, Robert; Gomez, Facundo; Marinacci, Federico; Pakmor, Rüdiger; Springel, Volker; Campbell, David; Frenk, Carlos; Auriga Project, Virgo Consortium

2018-01-01

We present predictions for the quenching of star formation in satellite galaxies of the Local Group from a suite of 30 cosmological zoom simulations of Milky Way-like host galaxies. The Auriga simulations resolve satellites down to the luminosity of the classical dwarf spheroidal galaxies of the Milky Way. We find strong mass-dependent and distance-dependent quenching signals, where dwarf systems beyond 600 kpc are only strongly quenched below a stellar mass of 107 M⊙. Ram pressure stripping appears to be the dominant quenching mechanism and 50% of quenched systems cease star formation within 1 Gyr of first infall. We demonstrate that systems within a host galaxy's R200 radius are comprised of two populations: (i) a first infall population that has entered the host halo within the past few Gyrs and (ii) a population of returning `backsplash' systems that have had a much more extended interaction with the host. Backsplash galaxies that do not return to the host galaxy by redshift zero exhibit quenching properties similar to galaxies within R200 and are distinct from other external systems. The simulated quenching trend with stellar mass has some tension with observations, but our simulations are able reproduce the range of quenching times measured from resolved stellar populations of Local Group dwarf galaxies.

Quenching and ram pressure stripping of simulated Milky Way satellite galaxies

NASA Astrophysics Data System (ADS)

Simpson, Christine M.; Grand, Robert J. J.; Gómez, Facundo A.; Marinacci, Federico; Pakmor, Rüdiger; Springel, Volker; Campbell, David J. R.; Frenk, Carlos S.

2018-07-01

We present predictions for the quenching of star formation in satellite galaxies of the Local Group from a suite of 30 cosmological zoom simulations of Milky Way-like host galaxies. The Auriga simulations resolve satellites down to the luminosity of the classical dwarf spheroidal galaxies of the Milky Way. We find strong mass-dependent and distance-dependent quenching signals, where dwarf systems beyond 600 kpc are only strongly quenched below a stellar mass of 107 M⊙. Ram pressure stripping appears to be the dominant quenching mechanism and 50 per cent of quenched systems cease star formation within 1 Gyr of first infall. We demonstrate that systems within a host galaxy's R200 radius are comprised of two populations: (i) a first infall population that has entered the host halo within the past few Gyrs and (ii) a population of returning `backsplash' systems that have had a much more extended interaction with the host. Backsplash galaxies that do not return to the host galaxy by redshift zero exhibit quenching properties similar to galaxies within R200 and are distinct from other external systems. The simulated quenching trend with stellar mass has some tension with observations, but our simulations are able reproduce the range of quenching times measured from resolved stellar populations of Local Group dwarf galaxies.

Quenching and ram pressure stripping of simulated Milky Way satellite galaxies

NASA Astrophysics Data System (ADS)

Simpson, Christine M.; Grand, Robert J. J.; Gómez, Facundo A.; Marinacci, Federico; Pakmor, Rüdiger; Springel, Volker; Campbell, David J. R.; Frenk, Carlos S.

2018-03-01

We present predictions for the quenching of star formation in satellite galaxies of the Local Group from a suite of 30 cosmological zoom simulations of Milky Way-like host galaxies. The Auriga simulations resolve satellites down to the luminosity of the classical dwarf spheroidal galaxies of the Milky Way. We find strong mass-dependent and distance-dependent quenching signals, where dwarf systems beyond 600 kpc are only strongly quenched below a stellar mass of 107 M⊙. Ram pressure stripping appears to be the dominant quenching mechanism and 50% of quenched systems cease star formation within 1 Gyr of first infall. We demonstrate that systems within a host galaxy's R200 radius are comprised of two populations: (i) a first infall population that has entered the host halo within the past few Gyrs and (ii) a population of returning `backsplash' systems that have had a much more extended interaction with the host. Backsplash galaxies that do not return to the host galaxy by redshift zero exhibit quenching properties similar to galaxies within R200 and are distinct from other external systems. The simulated quenching trend with stellar mass has some tension with observations, but our simulations are able reproduce the range of quenching times measured from resolved stellar populations of Local Group dwarf galaxies.

Ethical sensitivity intervention in science teacher education: Using computer simulations and professional codes of ethics

NASA Astrophysics Data System (ADS)

Holmes, Shawn Yvette

A simulation was created to emulate two Racial Ethical Sensitivity Test (REST) videos (Brabeck et al., 2000). The REST is a reliable assessment for ethical sensitivity to racial and gender intolerant behaviors in educational settings. Quantitative and qualitative analysis of the REST was performed using the Quick-REST survey and an interview protocol. The purpose of this study was to affect science educator ability to recognize instances of racial and gender intolerant behaviors by levering immersive qualities of simulations. The fictitious Hazelton High School virtual environment was created by the researcher and compared with the traditional REST. The study investigated whether computer simulations can influence the ethical sensitivity of preservice and inservice science teachers to racial and gender intolerant behaviors in school settings. The post-test only research design involved 32 third-year science education students enrolled in science education classes at several southeastern universities and 31 science teachers from the same locale, some of which were part of an NSF project. Participant samples were assigned to the video control group or the simulation experimental group. This resulted in four comparison group; preservice video, preservice simulation, inservice video and inservice simulation. Participants experienced two REST scenarios in the appropriate format then responded to Quick-REST survey questions for both scenarios. Additionally, the simulation groups answered in-simulation and post-simulation questions. Nonparametric analysis of the Quick-REST ascertained differences between comparison groups. Cronbach's alpha was calculated for internal consistency. The REST interview protocol was used to analyze recognition of intolerant behaviors in the in-simulation prompts. Post-simulation prompts were analyzed for emergent themes concerning effect of the simulation on responses. The preservice video group had a significantly higher mean rank score than other comparison groups. There were no significant differences across the remaining groups. Qualitative analyses of in-simulation prompts suggest both preservice and inservice participants are unlikely to take action in an intolerant environment. Themes emerged in the post-simulation responses indicated participants viewed the simulation as a reflective, interactive, personal, and organic environment.

Cosmic flow around local massive galaxies

NASA Astrophysics Data System (ADS)

Kashibadze, Olga G.; Karachentsev, Igor D.

2018-01-01

Aims: We use accurate data on distances and radial velocities of galaxies around the Local Group, as well as around 14 other massive nearby groups, to estimate their radius of the zero-velocity surface, R0, which separates any group against the global cosmic expansion. Methods: Our R0 estimate was based on fitting the data to the velocity field expected from the spherical infall model, including effects of the cosmological constant. The reported uncertainties were derived by a Monte Carlo simulation. Results: Testing various assumptions about a location of the group barycentre, we found the optimal estimates of the radius to be 0.91 ± 0.05 Mpc for the Local Group, and 0.93 ± 0.02 Mpc for a synthetic group stacked from 14 other groups in the Local Volume. Under the standard Planck model parameters, these quantities correspond to the total mass of the group (1.6 ± 0.2) × 1012M⊙. Thus, we are faced with the paradoxical result that the total mass estimate on the scale of R0 ≈ (3-4)Rvir is only 60% of the virial mass estimate. Anyway, we conclude that wide outskirts of the nearby groups do not contain a large amount of hidden mass outside their virial radius.

Pre-processing and post-processing in group-cluster mergers

NASA Astrophysics Data System (ADS)

Vijayaraghavan, R.; Ricker, P. M.

2013-11-01

Galaxies in clusters are more likely to be of early type and to have lower star formation rates than galaxies in the field. Recent observations and simulations suggest that cluster galaxies may be `pre-processed' by group or filament environments and that galaxies that fall into a cluster as part of a larger group can stay coherent within the cluster for up to one orbital period (`post-processing'). We investigate these ideas by means of a cosmological N-body simulation and idealized N-body plus hydrodynamics simulations of a group-cluster merger. We find that group environments can contribute significantly to galaxy pre-processing by means of enhanced galaxy-galaxy merger rates, removal of galaxies' hot halo gas by ram pressure stripping and tidal truncation of their galaxies. Tidal distortion of the group during infall does not contribute to pre-processing. Post-processing is also shown to be effective: galaxy-galaxy collisions are enhanced during a group's pericentric passage within a cluster, the merger shock enhances the ram pressure on group and cluster galaxies and an increase in local density during the merger leads to greater galactic tidal truncation.

Organized chaos: scatter in the relation between stellar mass and halo mass in small galaxies

NASA Astrophysics Data System (ADS)

Garrison-Kimmel, Shea; Bullock, James S.; Boylan-Kolchin, Michael; Bardwell, Emma

2017-01-01

We use Local Group galaxy counts together with the ELVIS N-body simulations to explore the relationship between the scatter and slope in the stellar mass versus halo mass relation at low masses, M⋆ ≃ 105-108 M⊙. Assuming models with lognormal scatter about a median relation of the form M_star ∝ M_halo^α, the preferred log-slope steepens from α ≃ 1.8 in the limit of zero scatter to α ≃ 2.6 in the case of 2 dex of scatter in M⋆ at fixed halo mass. We provide fitting functions for the best-fitting relations as a function of scatter, including cases where the relation becomes increasingly stochastic with decreasing mass. We show that if the scatter at fixed halo mass is large enough (≳ 1 dex) and if the median relation is steep enough (α ≳ 2), then the `too-big-to-fail' problem seen in the Local Group can be self-consistently eliminated in about ˜5-10 per cent of realizations. This scenario requires that the most massive subhaloes host unobservable ultra-faint dwarfs fairly often; we discuss potentially observable signatures of these systems. Finally, we compare our derived constraints to recent high-resolution simulations of dwarf galaxy formation in the literature. Though simulation-to-simulation scatter in M⋆ at fixed Mhalo is large among different authors (˜2 dex), individual codes produce relations with much less scatter and usually give relations that would overproduce local galaxy counts.

Gravitational detection of a low-mass dark satellite galaxy at cosmological distance.

PubMed

Vegetti, S; Lagattuta, D J; McKean, J P; Auger, M W; Fassnacht, C D; Koopmans, L V E

2012-01-18

The mass function of dwarf satellite galaxies that are observed around Local Group galaxies differs substantially from simulations based on cold dark matter: the simulations predict many more dwarf galaxies than are seen. The Local Group, however, may be anomalous in this regard. A massive dark satellite in an early-type lens galaxy at a redshift of 0.222 was recently found using a method based on gravitational lensing, suggesting that the mass fraction contained in substructure could be higher than is predicted from simulations. The lack of very low-mass detections, however, prohibited any constraint on their mass function. Here we report the presence of a (1.9 ± 0.1) × 10(8) M dark satellite galaxy in the Einstein ring system JVAS B1938+666 (ref. 11) at a redshift of 0.881, where M denotes the solar mass. This satellite galaxy has a mass similar to that of the Sagittarius galaxy, which is a satellite of the Milky Way. We determine the logarithmic slope of the mass function for substructure beyond the local Universe to be 1.1(+0.6)(-0.4), with an average mass fraction of 3.3(+3.6)(-1.8) per cent, by combining data on both of these recently discovered galaxies. Our results are consistent with the predictions from cold dark matter simulations at the 95 per cent confidence level, and therefore agree with the view that galaxies formed hierarchically in a Universe composed of cold dark matter.

Rover Graphical Simulator

NASA Technical Reports Server (NTRS)

Bon, Bruce; Seraji, Homayoun

2007-01-01

Rover Graphical Simulator (RGS) is a package of software that generates images of the motion of a wheeled robotic exploratory vehicle (rover) across terrain that includes obstacles and regions of varying traversability. The simulated rover moves autonomously, utilizing reasoning and decision-making capabilities of a fuzzy-logic navigation strategy to choose its path from an initial to a final state. RGS provides a graphical user interface for control and monitoring of simulations. The numerically simulated motion is represented as discrete steps with a constant time interval between updates. At each simulation step, a dot is placed at the old rover position and a graphical symbol representing the rover is redrawn at the new, updated position. The effect is to leave a trail of dots depicting the path traversed by the rover, the distances between dots being proportional to the local speed. Obstacles and regions of low traversability are depicted as filled circles, with buffer zones around them indicated by enclosing circles. The simulated robot is equipped with onboard sensors that can detect regional terrain traversability and local obstacles out to specified ranges. RGS won the NASA Group Achievement Award in 2002.

An Agent-Based Simulation for Investigating the Impact of Stereotypes on Task-Oriented Group Formation

NASA Astrophysics Data System (ADS)

Maghami, Mahsa; Sukthankar, Gita

In this paper, we introduce an agent-based simulation for investigating the impact of social factors on the formation and evolution of task-oriented groups. Task-oriented groups are created explicitly to perform a task, and all members derive benefits from task completion. However, even in cases when all group members act in a way that is locally optimal for task completion, social forces that have mild effects on choice of associates can have a measurable impact on task completion performance. In this paper, we show how our simulation can be used to model the impact of stereotypes on group formation. In our simulation, stereotypes are based on observable features, learned from prior experience, and only affect an agent's link formation preferences. Even without assuming stereotypes affect the agents' willingness or ability to complete tasks, the long-term modifications that stereotypes have on the agents' social network impair the agents' ability to form groups with sufficient diversity of skills, as compared to agents who form links randomly. An interesting finding is that this effect holds even in cases where stereotype preference and skill existence are completely uncorrelated.

Scanning tunneling microscopy image simulation of the rutile (110) TiO2 surface with hybrid functionals and the localized basis set approach

NASA Astrophysics Data System (ADS)

Di Valentin, Cristiana

2007-10-01

In this work we present a simplified procedure to use hybrid functionals and localized atomic basis sets to simulate scanning tunneling microscopy (STM) images of stoichiometric, reduced and hydroxylated rutile (110) TiO2 surface. For the two defective systems it is necessary to introduce some exact Hartree-Fock exchange in the exchange functional in order to correctly describe the details of the electronic structure. Results are compared to the standard density functional theory and planewave basis set approach. Both methods have advantages and drawbacks that are analyzed in detail. In particular, for the localized basis set approach, it is necessary to introduce a number of Gaussian function in the vacuum region above the surface in order to correctly describe the exponential decay of the integrated local density of states from the surface. In the planewave periodic approach, a thick vacuum region is required to achieve correct results. Simulated STM images are obtained for both the reduced and hydroxylated surface which nicely compare with experimental findings. A direct comparison of the two defects as displayed in the simulated STM images indicates that the OH groups should appear brighter than oxygen vacancies in perfect agreement with the experimental STM data.

UCLA IGPP Space Plasma Simulation Group

NASA Technical Reports Server (NTRS)

1998-01-01

During the past 10 years the UCLA IGPP Space Plasma Simulation Group has pursued its theoretical effort to develop a Mission Oriented Theory (MOT) for the International Solar Terrestrial Physics (ISTP) program. This effort has been based on a combination of approaches: analytical theory, large scale kinetic (LSK) calculations, global magnetohydrodynamic (MHD) simulations and self-consistent plasma kinetic (SCK) simulations. These models have been used to formulate a global interpretation of local measurements made by the ISTP spacecraft. The regions of applications of the MOT cover most of the magnetosphere: the solar wind, the low- and high-latitude magnetospheric boundary, the near-Earth and distant magnetotail, and the auroral region. Most recent investigations include: plasma processes in the electron foreshock, response of the magnetospheric cusp, particle entry in the magnetosphere, sources of observed distribution functions in the magnetotail, transport of oxygen ions, self-consistent evolution of the magnetotail, substorm studies, effects of explosive reconnection, and auroral acceleration simulations.

Reduced-order prediction of rogue waves in two-dimensional deep-water waves

NASA Astrophysics Data System (ADS)

Farazmand, Mohammad; Sapsis, Themistoklis P.

2017-07-01

We consider the problem of large wave prediction in two-dimensional water waves. Such waves form due to the synergistic effect of dispersive mixing of smaller wave groups and the action of localized nonlinear wave interactions that leads to focusing. Instead of a direct simulation approach, we rely on the decomposition of the wave field into a discrete set of localized wave groups with optimal length scales and amplitudes. Due to the short-term character of the prediction, these wave groups do not interact and therefore their dynamics can be characterized individually. Using direct numerical simulations of the governing envelope equations we precompute the expected maximum elevation for each of those wave groups. The combination of the wave field decomposition algorithm, which provides information about the statistics of the system, and the precomputed map for the expected wave group elevation, which encodes dynamical information, allows (i) for understanding of how the probability of occurrence of rogue waves changes as the spectrum parameters vary, (ii) the computation of a critical length scale characterizing wave groups with high probability of evolving to rogue waves, and (iii) the formulation of a robust and parsimonious reduced-order prediction scheme for large waves. We assess the validity of this scheme in several cases of ocean wave spectra.

VAST PLANES OF SATELLITES IN A HIGH-RESOLUTION SIMULATION OF THE LOCAL GROUP: COMPARISON TO ANDROMEDA

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

Gillet, N.; Ocvirk, P.; Aubert, D.

2015-02-10

We search for vast planes of satellites (VPoS) in a high-resolution simulation of the Local Group performed by the CLUES project, which improves significantly the resolution of previous similar studies. We use a simple method for detecting planar configurations of satellites, and validate it on the known plane of M31. We implement a range of prescriptions for modeling the satellite populations, roughly reproducing the variety of recipes used in the literature, and investigate the occurrence and properties of planar structures in these populations. The structure of the simulated satellite systems is strongly non-random and contains planes of satellites, predominantly co-rotating,more » with, in some cases, sizes comparable to the plane observed in M31 by Ibata et al. However, the latter is slightly richer in satellites, slightly thinner, and has stronger co-rotation, which makes it stand out as overall more exceptional than the simulated planes, when compared to a random population. Although the simulated planes we find are generally dominated by one real structure forming its backbone, they are also partly fortuitous and are thus not kinematically coherent structures as a whole. Provided that the simulated and observed planes of satellites are indeed of the same nature, our results suggest that the VPoS of M31 is not a coherent disk and that one-third to one-half of its satellites must have large proper motions perpendicular to the plane.« less

Where Are All of the Gas-bearing Local Dwarf Galaxies? Quantifying Possible Impacts of Reionization

NASA Astrophysics Data System (ADS)

Tollerud, Erik J.; Peek, J. E. G.

2018-04-01

We present an approach for comparing the detections and non-detections of Local Group (LG) dwarf galaxies in large H I surveys to the predictions of a suite of n-body simulations of the LG. This approach depends primarily on a set of empirical scaling relations to connect the simulations to the observations, rather than making strong theoretical assumptions. We then apply this methodology to the Galactic Arecibo L-band Feed Array Hi (GALFA-HI) Compact Cloud Catalog (CCC), and compare it to the suite Exploring the Local Volume In Simulations (ELVIS) of simulations. This approach reveals a strong tension between the naïve results of the model and the observations: while there are no LG dwarfs in the GALFA-HI CCC, the simulations predict ∼10. Applying a simple model of reionization can resolve this tension by preventing low-mass halos from forming gas. However, and if this effect operates as expected, the observations provide a constraint on the mass scale of the dwarf galaxy that reionization impacts. Combined with the observed properties of Leo T, the halo virial mass scale at which reionization impacts dwarf galaxy gas content is constrained to be ∼ {10}8.5 {M}ȯ , independent of any assumptions about star formation.

An observer's guide to the (Local Group) dwarf galaxies: predictions for their own dwarf satellite populations

NASA Astrophysics Data System (ADS)

Dooley, Gregory A.; Peter, Annika H. G.; Yang, Tianyi; Willman, Beth; Griffen, Brendan F.; Frebel, Anna

2017-11-01

A recent surge in the discovery of new ultrafaint dwarf satellites of the Milky Way has inspired the idea of searching for faint satellites, 103 M⊙ 99 per cent chance that at least one satellite with stellar mass M* > 105 M⊙ exists around the combined five Local Group field dwarf galaxies with the largest stellar mass. When considering satellites with M* > 104 M⊙, we predict a combined 5-25 satellites for the five largest field dwarfs, and 10-50 for the whole Local Group field dwarf population. Because of the relatively small number of predicted dwarfs, and their extended spatial distribution, a large fraction each Local Group dwarf's virial volume will need to be surveyed to guarantee discoveries. We compute the predicted number of satellites in a given field of view of specific Local Group galaxies, as a function of minimum satellite luminosity, and explicitly obtain such values for the Solitary Local dwarfs survey. Uncertainties in abundance-matching and reionization models are large, implying that comprehensive searches could lead to refinements of both models.

Addition of a new Quedius Steph. (Coleoptera, Staphylinidae) species to the biodiversity of Albertan mixedwood forest, Canada.

PubMed

Jacobs, Jenna M; Bergeron, J A Colin

2017-01-01

Quedius (Raphirus) spencei Jacobs and Bergeron, new species, (Coleoptera: Staphylinidae), is described based on specimens from two localities (type locality: 35 km. E Dixonville, Alberta, Canada) in the Boreal Forest. Male genitalia are illustrated, compared with congeners ( Q. rusticus Smetana and Q. simulator Smetana) in the Aenescens species group, and included in a slightly modified key to the species of Quedius .

Molecular driving forces defining lipid positions around aquaporin-0

PubMed Central

Aponte-Santamaría, Camilo; Briones, Rodolfo; Schenk, Andreas D.; Walz, Thomas; de Groot, Bert L.

2012-01-01

Lipid–protein interactions play pivotal roles in biological membranes. Electron crystallographic studies of the lens-specific water channel aquaporin-0 (AQP0) revealed atomistic views of such interactions, by providing high-resolution structures of annular lipids surrounding AQP0. It remained unclear, however, whether these lipid structures are representative of the positions of unconstrained lipids surrounding an individual protein, and what molecular determinants define the lipid positions around AQP0. We addressed these questions by using molecular dynamics simulations and crystallographic refinement, and calculated time-averaged densities of dimyristoyl-phosphatidylcholine lipids around AQP0. Our simulations demonstrate that, although the experimentally determined crystallographic lipid positions are constrained by the crystal packing, they appropriately describe the behavior of unconstrained lipids around an individual AQP0 tetramer, and thus likely represent physiologically relevant lipid positions.While the acyl chains were well localized, the lipid head groups were not. Furthermore, in silico mutations showed that electrostatic interactions do not play a major role attracting these phospholipids towards AQP0. Instead, the mobility of the protein crucially modulates the lipid localization and explains the difference in lipid density between extracellular and cytoplasmic leaflets. Moreover, our simulations support a general mechanism in which membrane proteins laterally diffuse accompanied by several layers of localized lipids, with the positions of the annular lipids being influenced the most by the protein surface. We conclude that the acyl chains rather than the head groups define the positions of dimyristoyl-phosphatidylcholine lipids around AQP0. Lipid localization is largely determined by the mobility of the protein surface, whereas hydrogen bonds play an important but secondary role. PMID:22679286

Void asymmetries in the cosmic web: a mechanism for bulk flows

NASA Astrophysics Data System (ADS)

Bland-Hawthorn, J.; Sharma, S.

2016-10-01

Bulk flows of galaxies moving with respect to the cosmic microwave background are well established observationally and seen in the most recent ΛCDM simulations. With the aid of an idealised Gadget-2 simulation, we show that void asymmetries in the cosmic web can exacerbate local bulk flows of galaxies. The {\\it Cosmicflows-2} survey, which has mapped in detail the 3D structure of the Local Universe, reveals that the Local Group resides in a ``local sheet'' of galaxies that borders a ``local void'' with a diameter of about 40 Mpc. The void is emptying out at a rate of 16 km s-1 Mpc-1. In a co-moving frame, the Local Sheet is found to be moving away from the Local Void at ~ 260 km s-1. Our model shows how asymmetric collapse due to unbalanced voids on either side of a developing sheet or wall can lead to a systematic movement of the sheet. We conjectured that asymmetries could lead to a large-scale separation of dark matter and baryons, thereby driving a dependence of galaxy properties with environment, but we do {\\it not} find any evidence for this effect.

Sweating the small stuff: simulating dwarf galaxies, ultra-faint dwarf galaxies, and their own tiny satellites

NASA Astrophysics Data System (ADS)

Wheeler, Coral Rose

2016-06-01

The high dark matter content and the shallow potential wells of low mass galaxies (10^3 Msun < Mstar < 10^9.5 Msun) make them excellent testbeds for differing theories of galaxy formation. Additionally, the recent up-tick in the number and detail of Local Group dwarf galaxy observations provides a rich dataset for comparison to simulations that attempt to answer important questions in near field cosmology: why are there so few observed dwarfs compared to the number predicted by simulations? What shuts down star formation in ultra-faint galaxies? Why do dwarfs have inverted age gradients and what does it take to convert a dwarf irregular (dIrrs) into a dwarf spheroidal (dSph) galaxy?We to attempt to answer these questions by running ultra-high resolution cosmological FIRE simulations of isolated dwarf galaxies. We predict that many ultra-faint dwarfs should exist as satellites of more massive isolated Local Group dwarfs. The ultra-faints (Mstar < 10^4 Msun) formed in these simulations have uniformly ancient stellar populations (> 10 Gyr), having had their star formation shut down by reionization. Additionally, we show that the kinematics and ellipticities of isolated simulated dwarf centrals are consistent with observed dSphs satellites without the need for harassment from a massive host. We further show that most (but not all) observed *isolated* dIrrs in the Local Volume also have dispersion-supported stellar populations, contradicting the previous view that these objects are rotating. Finally, we investigate the stellar age gradients in dwarfs — showing that early mergers and strong feedback can create an inverted gradient, with the older stars occupying larger galactocentric radii.These results offer an interesting direction in testing models that attempt to solve dark matter problems via explosive feedback episodes. Can the same models that create large cores in simulated dwarfs preserve the mild stellar rotation that is seen in a minority of isolated dIrrs? Can the bursty star formation that created a dark matter core also match observed stellar gradients in low mass galaxies? Comparisons between our simulations and observed dwarfs should provide an important benchmark for this question going forward.

Final Project Report: Data Locality Enhancement of Dynamic Simulations for Exascale Computing

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

Shen, Xipeng

The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future manycore systems, alleviating the memory performance issues for exascale computing. In the first three years, the PI and his group have achieves some significant progress towards the goal, producing a set of novel techniques for improving the memory performance and data locality in manycore systems, yielding 18 conference and workshop papers and 4 journal papers and graduating 6 Ph.Ds. This report summarizes the research results of thismore » project through that period.« less

X-ray circular dichroism signals: a unique probe of local molecular chirality

DOE PAGES

Zhang, Yu; Rouxel, Jeremy R.; Autschbach, Jochen; ...

2017-06-26

Core-resonant circular dichroism (CD) signals are induced by molecular chirality and vanish for achiral molecules and racemic mixtures. The highly localized nature of core excitations makes them ideal probes of local chirality within molecules. Simulations of the circular dichroism spectra of several molecular families illustrate how these signals vary with the electronic coupling to substitution groups, the distance between the X-ray chromophore and the chiral center, geometry, and chemical structure. As a result, clear insight into the molecular structure is obtained through analysis of the X-ray CD spectra.

X-ray circular dichroism signals: a unique probe of local molecular chirality

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

Zhang, Yu; Rouxel, Jeremy R.; Autschbach, Jochen

Core-resonant circular dichroism (CD) signals are induced by molecular chirality and vanish for achiral molecules and racemic mixtures. The highly localized nature of core excitations makes them ideal probes of local chirality within molecules. Simulations of the circular dichroism spectra of several molecular families illustrate how these signals vary with the electronic coupling to substitution groups, the distance between the X-ray chromophore and the chiral center, geometry, and chemical structure. As a result, clear insight into the molecular structure is obtained through analysis of the X-ray CD spectra.

Addition of a new Quedius Steph. (Coleoptera, Staphylinidae) species to the biodiversity of Albertan mixedwood forest, Canada

PubMed Central

Jacobs, Jenna M.; Bergeron, J. A. Colin

2017-01-01

Abstract Quedius (Raphirus) spencei Jacobs and Bergeron, new species, (Coleoptera: Staphylinidae), is described based on specimens from two localities (type locality: 35 km. E Dixonville, Alberta, Canada) in the Boreal Forest. Male genitalia are illustrated, compared with congeners (Q. rusticus Smetana and Q. simulator Smetana) in the Aenescens species group, and included in a slightly modified key to the species of Quedius. PMID:28769643

Exploration of the Structure of the High Temperature Phase of the Hexagonal RMnO3 System

NASA Astrophysics Data System (ADS)

Wu, T.; Tyson, T. A.; Zhang, H.; Yu, T.; Page, K.; Ghose, S.

Temperature dependent structural studies of the high temperature phase of hexagonal RMnO3 systems have been conducted. Both long range and local structural probes have been utilized. Discussions of the appropriate space groups and local distortions relevant to length scale will be given. Ab initio MD simulations are used to interpret the observations. This work is supported by DOE Grant DE-FG02-07ER46402.

We are not the 99 percent: quantifying asphericity in the distribution of Local Group satellites

NASA Astrophysics Data System (ADS)

Forero-Romero, Jaime E.; Arias, Verónica

2018-05-01

We use simulations to build an analytic probability distribution for the asphericity in the satellite distribution around Local Group (LG) type galaxies in the Lambda Cold Dark Matter (LCDM) paradigm. We use this distribution to estimate the atypicality of the satellite distributions in the LG even when the underlying simulations do not have enough systems fully resembling the LG in terms of its typical masses, separation and kinematics. We demonstrate the method using three different simulations (Illustris-1, Illustris-1-Dark and ELVIS) and a number of satellites ranging from 11 to 15. Detailed results differ greatly among the simulations suggesting a strong influence of the typical DM halo mass, the number of satellites and the simulated baryonic effects. However, there are three common trends. First, at most 2% of the pairs are expected to have satellite distributions with the same asphericity as the LG; second, at most 80% of the pairs have a halo with a satellite distribution as aspherical as in M31; and third, at most 4% of the pairs have a halo with satellite distribution as planar as in the MW. These quantitative results place the LG at the level of a 3σ outlier in the LCDM paradigm. We suggest that understanding the reasons for this atypicality requires quantifying the asphericity probability distribution as a function of halo mass and large scale environment. The approach presented here can facilitate that kind of study and other comparisons between different numerical setups and choices to study satellites around LG pairs in simulations.

Staffs’ and managers’ perceptions of how and when discrete event simulation modelling can be used as a decision support in quality improvement: a focus group discussion study at two hospital settings in Sweden

PubMed Central

Hvitfeldt-Forsberg, Helena; Mazzocato, Pamela; Glaser, Daniel; Keller, Christina; Unbeck, Maria

2017-01-01

Objective To explore healthcare staffs’ and managers’ perceptions of how and when discrete event simulation modelling can be used as a decision support in improvement efforts. Design Two focus group discussions were performed. Setting Two settings were included: a rheumatology department and an orthopaedic section both situated in Sweden. Participants Healthcare staff and managers (n=13) from the two settings. Interventions Two workshops were performed, one at each setting. Workshops were initiated by a short introduction to simulation modelling. Results from the respective simulation model were then presented and discussed in the following focus group discussion. Results Categories from the content analysis are presented according to the following research questions: how and when simulation modelling can assist healthcare improvement? Regarding how, the participants mentioned that simulation modelling could act as a tool for support and a way to visualise problems, potential solutions and their effects. Regarding when, simulation modelling could be used both locally and by management, as well as a pedagogical tool to develop and test innovative ideas and to involve everyone in the improvement work. Conclusions Its potential as an information and communication tool and as an instrument for pedagogic work within healthcare improvement render a broader application and value of simulation modelling than previously reported. PMID:28588107

Using Hybrid Angle/Distance Information for Distributed Topology Control in Vehicular Sensor Networks

PubMed Central

Huang, Chao-Chi; Chiu, Yang-Hung; Wen, Chih-Yu

2014-01-01

In a vehicular sensor network (VSN), the key design issue is how to organize vehicles effectively, such that the local network topology can be stabilized quickly. In this work, each vehicle with on-board sensors can be considered as a local controller associated with a group of communication members. In order to balance the load among the nodes and govern the local topology change, a group formation scheme using localized criteria is implemented. The proposed distributed topology control method focuses on reducing the rate of group member change and avoiding the unnecessary information exchange. Two major phases are sequentially applied to choose the group members of each vehicle using hybrid angle/distance information. The operation of Phase I is based on the concept of the cone-based method, which can select the desired vehicles quickly. Afterwards, the proposed time-slot method is further applied to stabilize the network topology. Given the network structure in Phase I, a routing scheme is presented in Phase II. The network behaviors are explored through simulation and analysis in a variety of scenarios. The results show that the proposed mechanism is a scalable and effective control framework for VSNs. PMID:25350506

Adaptive Grouping Cloud Model Shuffled Frog Leaping Algorithm for Solving Continuous Optimization Problems

PubMed Central

Liu, Haorui; Yi, Fengyan; Yang, Heli

2016-01-01

The shuffled frog leaping algorithm (SFLA) easily falls into local optimum when it solves multioptimum function optimization problem, which impacts the accuracy and convergence speed. Therefore this paper presents grouped SFLA for solving continuous optimization problems combined with the excellent characteristics of cloud model transformation between qualitative and quantitative research. The algorithm divides the definition domain into several groups and gives each group a set of frogs. Frogs of each region search in their memeplex, and in the search process the algorithm uses the “elite strategy” to update the location information of existing elite frogs through cloud model algorithm. This method narrows the searching space and it can effectively improve the situation of a local optimum; thus convergence speed and accuracy can be significantly improved. The results of computer simulation confirm this conclusion. PMID:26819584

Effects of desolvation barriers and sidechains on local-nonlocal coupling and chevron behaviors in coarse-grained models of protein folding.

PubMed

Chen, Tao; Chan, Hue Sun

2014-04-14

Local-nonlocal coupling is an organizational principle in protein folding. It envisions a cooperative energetic interplay between local conformational preferences and favorable nonlocal contacts. Previous theoretical studies by our group showed that two classes of native-centric coarse-grained models can capture the experimentally observed high degrees of protein folding cooperativity and diversity in folding rates. These models either embody an explicit local-nonlocal coupling mechanism or incorporate desolvation barriers in the models' pairwise interactions. Here a conceptual connection is made between these two paradigmatic coarse-grained interaction schemes by showing that desolvation barriers enhance local-nonlocal coupling. Furthermore, we find that a class of coarse-grained protein models with a single-site representation of sidechains also increases local-nonlocal coupling relative to mainchain models without sidechains. Enhanced local-nonlocal coupling generally leads to higher folding cooperativity and chevron plots with more linear folding arms. For the sidechain models studied, the chevron plot simulated with entirely native-centric intrachain interactions behaves very similarly to the corresponding chevron plots simulated with interactions that are partly modulated by sequence- and denaturant-dependent transfer free energies. In these essentially native-centric models, the mild chevron rollovers in the simulated folding arm are caused by occasionally populated intermediates as well as the movement of the unfolded and putative folding transition states. The strength and limitation of the models are analyzed by comparison with experiment. New formulations of sidechain models that may provide a physical account for nonnative interactions are also explored.

Same Content, Different Methods: Comparing Lecture, Engaged Classroom, and Simulation.

PubMed

Raleigh, Meghan F; Wilson, Garland Anthony; Moss, David Alan; Reineke-Piper, Kristen A; Walden, Jeffrey; Fisher, Daniel J; Williams, Tracy; Alexander, Christienne; Niceler, Brock; Viera, Anthony J; Zakrajsek, Todd

2018-02-01

There is a push to use classroom technology and active teaching methods to replace didactic lectures as the most prevalent format for resident education. This multisite collaborative cohort study involving nine residency programs across the United States compared a standard slide-based didactic lecture, a facilitated group discussion via an engaged classroom, and a high-fidelity, hands-on simulation scenario for teaching the topic of acute dyspnea. The primary outcome was knowledge retention at 2 to 4 weeks. Each teaching method was assigned to three different residency programs in the collaborative according to local resources. Learning objectives were determined by faculty. Pre- and posttest questions were validated and utilized as a measurement of knowledge retention. Each site administered the pretest, taught the topic of acute dyspnea utilizing their assigned method, and administered a posttest 2 to 4 weeks later. Differences between the groups were compared using paired t-tests. A total of 146 residents completed the posttest, and scores increased from baseline across all groups. The average score increased 6% in the standard lecture group (n=47), 11% in the engaged classroom (n=53), and 9% in the simulation group (n=56). The differences in improvement between engaged classroom and simulation were not statistically significant. Compared to standard lecture, both engaged classroom and high-fidelity simulation were associated with a statistically significant improvement in knowledge retention. Knowledge retention after engaged classroom and high-fidelity simulation did not significantly differ. More research is necessary to determine if different teaching methods result in different levels of comfort and skill with actual patient care.

Synchronization and desynchronization in a network of locally coupled Wilson-Cowan oscillators.

PubMed

Campbell, S; Wang, D

1996-01-01

A network of Wilson-Cowan (WC) oscillators is constructed, and its emergent properties of synchronization and desynchronization are investigated by both computer simulation and formal analysis. The network is a 2D matrix, where each oscillator is coupled only to its neighbors. We show analytically that a chain of locally coupled oscillators (the piecewise linear approximation to the WC oscillator) synchronizes, and we present a technique to rapidly entrain finite numbers of oscillators. The coupling strengths change on a fast time scale based on a Hebbian rule. A global separator is introduced which receives input from and sends feedback to each oscillator in the matrix. The global separator is used to desynchronize different oscillator groups. Unlike many other models, the properties of this network emerge from local connections that preserve spatial relationships among components and are critical for encoding Gestalt principles of feature grouping. The ability to synchronize and desynchronize oscillator groups within this network offers a promising approach for pattern segmentation and figure/ground segregation based on oscillatory correlation.

Illuminating the Universe's Ignition

DOE PAGES

Gedenk, Eric

2016-06-24

This paper tells the story of how a research team based at the University of Texas at Austin used supercomputing resources at the US Department of Energy's (DOE's) Oak Ridge National Laboratory to create the first fully coupled simulation of the reionization of our universe's local group. The team's models helped researchers understand how reionization helped form the universe as we know it today, predict the impact of dwarf galaxies on reionization, and set the stage for simulating larger volumes of the universe in greater detail.

Systematic study of target localization for bioluminescence tomography guided radiation therapy

PubMed Central

Yu, Jingjing; Zhang, Bin; Iordachita, Iulian I.; Reyes, Juvenal; Lu, Zhihao; Brock, Malcolm V.; Patterson, Michael S.; Wong, John W.

2016-01-01

Purpose: To overcome the limitation of CT/cone-beam CT (CBCT) in guiding radiation for soft tissue targets, the authors developed a spectrally resolved bioluminescence tomography (BLT) system for the small animal radiation research platform. The authors systematically assessed the performance of the BLT system in terms of target localization and the ability to resolve two neighboring sources in simulations, tissue-mimicking phantom, and in vivo environments. Methods: Multispectral measurements acquired in a single projection were used for the BLT reconstruction. The incomplete variables truncated conjugate gradient algorithm with an iterative permissible region shrinking strategy was employed as the optimization scheme to reconstruct source distributions. Simulation studies were conducted for single spherical sources with sizes from 0.5 to 3 mm radius at depth of 3–12 mm. The same configuration was also applied for the double source simulation with source separations varying from 3 to 9 mm. Experiments were performed in a standalone BLT/CBCT system. Two self-illuminated sources with 3 and 4.7 mm separations placed inside a tissue-mimicking phantom were chosen as the test cases. Live mice implanted with single-source at 6 and 9 mm depth, two sources at 3 and 5 mm separation at depth of 5 mm, or three sources in the abdomen were also used to illustrate the localization capability of the BLT system for multiple targets in vivo. Results: For simulation study, approximate 1 mm accuracy can be achieved at localizing center of mass (CoM) for single-source and grouped CoM for double source cases. For the case of 1.5 mm radius source, a common tumor size used in preclinical study, their simulation shows that for all the source separations considered, except for the 3 mm separation at 9 and 12 mm depth, the two neighboring sources can be resolved at depths from 3 to 12 mm. Phantom experiments illustrated that 2D bioluminescence imaging failed to distinguish two sources, but BLT can provide 3D source localization with approximately 1 mm accuracy. The in vivo results are encouraging that 1 and 1.7 mm accuracy can be attained for the single-source case at 6 and 9 mm depth, respectively. For the 2 sources in vivo study, both sources can be distinguished at 3 and 5 mm separations, and approximately 1 mm localization accuracy can also be achieved. Conclusions: This study demonstrated that their multispectral BLT/CBCT system could be potentially applied to localize and resolve multiple sources at wide range of source sizes, depths, and separations. The average accuracy of localizing CoM for single-source and grouped CoM for double sources is approximately 1 mm except deep-seated target. The information provided in this study can be instructive to devise treatment margins for BLT-guided irradiation. These results also suggest that the 3D BLT system could guide radiation for the situation with multiple targets, such as metastatic tumor models. PMID:27147371

Reduced-order prediction of rogue waves in two-dimensional deep-water waves

NASA Astrophysics Data System (ADS)

Sapsis, Themistoklis; Farazmand, Mohammad

2017-11-01

We consider the problem of large wave prediction in two-dimensional water waves. Such waves form due to the synergistic effect of dispersive mixing of smaller wave groups and the action of localized nonlinear wave interactions that leads to focusing. Instead of a direct simulation approach, we rely on the decomposition of the wave field into a discrete set of localized wave groups with optimal length scales and amplitudes. Due to the short-term character of the prediction, these wave groups do not interact and therefore their dynamics can be characterized individually. Using direct numerical simulations of the governing envelope equations we precompute the expected maximum elevation for each of those wave groups. The combination of the wave field decomposition algorithm, which provides information about the statistics of the system, and the precomputed map for the expected wave group elevation, which encodes dynamical information, allows (i) for understanding of how the probability of occurrence of rogue waves changes as the spectrum parameters vary, (ii) the computation of a critical length scale characterizing wave groups with high probability of evolving to rogue waves, and (iii) the formulation of a robust and parsimonious reduced-order prediction scheme for large waves. T.S. has been supported through the ONR Grants N00014-14-1-0520 and N00014-15-1-2381 and the AFOSR Grant FA9550-16-1-0231. M.F. has been supported through the second Grant.

Cloud computing and validation of expandable in silico livers.

PubMed

Ropella, Glen E P; Hunt, C Anthony

2010-12-03

In Silico Livers (ISLs) are works in progress. They are used to challenge multilevel, multi-attribute, mechanistic hypotheses about the hepatic disposition of xenobiotics coupled with hepatic responses. To enhance ISL-to-liver mappings, we added discrete time metabolism, biliary elimination, and bolus dosing features to a previously validated ISL and initiated re-validated experiments that required scaling experiments to use more simulated lobules than previously, more than could be achieved using the local cluster technology. Rather than dramatically increasing the size of our local cluster we undertook the re-validation experiments using the Amazon EC2 cloud platform. So doing required demonstrating the efficacy of scaling a simulation to use more cluster nodes and assessing the scientific equivalence of local cluster validation experiments with those executed using the cloud platform. The local cluster technology was duplicated in the Amazon EC2 cloud platform. Synthetic modeling protocols were followed to identify a successful parameterization. Experiment sample sizes (number of simulated lobules) on both platforms were 49, 70, 84, and 152 (cloud only). Experimental indistinguishability was demonstrated for ISL outflow profiles of diltiazem using both platforms for experiments consisting of 84 or more samples. The process was analogous to demonstration of results equivalency from two different wet-labs. The results provide additional evidence that disposition simulations using ISLs can cover the behavior space of liver experiments in distinct experimental contexts (there is in silico-to-wet-lab phenotype similarity). The scientific value of experimenting with multiscale biomedical models has been limited to research groups with access to computer clusters. The availability of cloud technology coupled with the evidence of scientific equivalency has lowered the barrier and will greatly facilitate model sharing as well as provide straightforward tools for scaling simulations to encompass greater detail with no extra investment in hardware.

Percolation of localized attack on isolated and interdependent random networks

NASA Astrophysics Data System (ADS)

Shao, Shuai; Huang, Xuqing; Stanley, H. Eugene; Havlin, Shlomo

2014-03-01

Percolation properties of isolated and interdependent random networks have been investigated extensively. The focus of these studies has been on random attacks where each node in network is attacked with the same probability or targeted attack where each node is attacked with a probability being a function of its centrality, such as degree. Here we discuss a new type of realistic attacks which we call a localized attack where a group of neighboring nodes in the networks are attacked. We attack a randomly chosen node, its neighbors, and its neighbor of neighbors and so on, until removing a fraction (1 - p) of the network. This type of attack reflects damages due to localized disasters, such as earthquakes, floods and war zones in real-world networks. We study, both analytically and by simulations the impact of localized attack on percolation properties of random networks with arbitrary degree distributions and discuss in detail random regular (RR) networks, Erdős-Rényi (ER) networks and scale-free (SF) networks. We extend and generalize our theoretical and simulation results of single isolated networks to networks formed of interdependent networks.

Fossils of reionization in the local group

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

Gnedin, Nickolay Y.; /Fermilab /KICP, Chicago /Chicago U., EFI; Kravtsov, Andrey V.

We use a combination of high-resolution gas dynamics simulations of high-redshift dwarf galaxies and dissipationless simulations of a Milky Way sized halo to estimate the expected abundance and spatial distribution of the dwarf satellite galaxies that formed most of their stars around z {approx} 8 and evolved only little since then. Such galaxies can be considered as fossils of the reionization era, and studying their properties could provide a direct window into the early, pre-reionization stages of galaxy formation. We show that 5-15% of the objects existing at z {approx} 8 do indeed survive until the present in the MWmore » like environment without significant evolution. This implies that it is plausible that the fossil dwarf galaxies do exist in the Local Group. Because such galaxies form their stellar systems early during the period of active merging and accretion, they should have spheroidal morphology regardless of their current distance from the host galaxy. We show that both the expected luminosity function and spatial distribution of dark matter halos which are likely to host fossil galaxies agree reasonably well with the observed distributions of the luminous (L{sub V} > 10{sup 6} Lsun) Local Group fossil candidates near the host galaxy (d<200 kpc). However, the predicted abundance is substantially larger (by a factor of 2-3) for fainter galaxies (L{sub V} < 10{sup 6} Lsun) at larger distances (d>300 kpc). We discuss several possible explanations for this discrepancy.« less

Three-dimensional reconstruction of coronary arteries and its application in localization of coronary artery segments corresponding to myocardial segments identified by transthoracic echocardiography.

PubMed

Zhong, Chunyan; Guo, Yanli; Huang, Haiyun; Tan, Liwen; Wu, Yi; Wang, Wenting

2013-01-01

To establish 3D models of coronary arteries (CA) and study their application in localization of CA segments identified by Transthoracic Echocardiography (TTE). Sectional images of the heart collected from the first CVH dataset and contrast CT data were used to establish 3D models of the CA. Virtual dissection was performed on the 3D models to simulate the conventional sections of TTE. Then, we used 2D ultrasound, speckle tracking imaging (STI), and 2D ultrasound plus 3D CA models to diagnose 170 patients and compare the results to coronary angiography (CAG). 3D models of CA distinctly displayed both 3D structure and 2D sections of CA. This simulated TTE imaging in any plane and showed the CA segments that corresponded to 17 myocardial segments identified by TTE. The localization accuracy showed a significant difference between 2D ultrasound and 2D ultrasound plus 3D CA model in the severe stenosis group (P < 0.05) and in the mild-to-moderate stenosis group (P < 0.05). These innovative modeling techniques help clinicians identify the CA segments that correspond to myocardial segments typically shown in TTE sectional images, thereby increasing the accuracy of the TTE-based diagnosis of CHD.

Real-time video communication improves provider performance in a simulated neonatal resuscitation.

PubMed

Fang, Jennifer L; Carey, William A; Lang, Tara R; Lohse, Christine M; Colby, Christopher E

2014-11-01

To determine if a real-time audiovisual link with a neonatologist, termed video-assisted resuscitation or VAR, improves provider performance during a simulated neonatal resuscitation scenario. Using high-fidelity simulation, 46 study participants were presented with a neonatal resuscitation scenario. The control group performed independently, while the intervention group utilized VAR. Time to effective ventilation was compared using Wilcoxon rank sum tests. Providers' use of the corrective steps for ineffective ventilation per the NRP algorithm was compared using Cochran-Armitage trend tests. The time needed to establish effective ventilation was significantly reduced in the intervention group when compared to the control group (mean time 2 min 42 s versus 4 min 11 s, p<0.001). In the setting of ineffective ventilation, only 35% of control subjects used three or more of the first five corrective steps and none of them used all five steps. Providers in the control group most frequently neglected to open the mouth and increase positive pressure. In contrast, all of those in the intervention group used all of the first five corrective steps, p<0.001. All participants in the control group decided to intubate the infant to establish effective ventilation, compared to none in the intervention group, p<0.001. Using VAR during a simulated neonatal resuscitation scenario significantly reduces the time to establish effective ventilation and improves provider adherence to NRP guidelines. This technology may be a means for regional centers to support local providers during a neonatal emergency to improve patient safety and improve neonatal outcomes. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Inequality measures perform differently in global and local assessments: An exploratory computational experiment

NASA Astrophysics Data System (ADS)

Chiang, Yen-Sheng

2015-11-01

Inequality measures are widely used in both the academia and public media to help us understand how incomes and wealth are distributed. They can be used to assess the distribution of a whole society-global inequality-as well as inequality of actors' referent networks-local inequality. How different is local inequality from global inequality? Formalizing the structure of reference groups as a network, the paper conducted a computational experiment to see how the structure of complex networks influences the difference between global and local inequality assessed by a selection of inequality measures. It was found that local inequality tends to be higher than global inequality when population size is large; network is dense and heterophilously assorted, and income distribution is less dispersed. The implications of the simulation findings are discussed.

Modelling chemical abundance distributions for dwarf galaxies in the Local Group: the impact of turbulent metal diffusion

NASA Astrophysics Data System (ADS)

Escala, Ivanna; Wetzel, Andrew; Kirby, Evan N.; Hopkins, Philip F.; Ma, Xiangcheng; Wheeler, Coral; Kereš, Dušan; Faucher-Giguère, Claude-André; Quataert, Eliot

2018-02-01

We investigate stellar metallicity distribution functions (MDFs), including Fe and α-element abundances, in dwarf galaxies from the Feedback in Realistic Environment (FIRE) project. We examine both isolated dwarf galaxies and those that are satellites of a Milky Way-mass galaxy. In particular, we study the effects of including a sub-grid turbulent model for the diffusion of metals in gas. Simulations that include diffusion have narrower MDFs and abundance ratio distributions, because diffusion drives individual gas and star particles towards the average metallicity. This effect provides significantly better agreement with observed abundance distributions in dwarf galaxies in the Local Group, including small intrinsic scatter in [α/Fe] versus [Fe/H] of ≲0.1 dex. This small intrinsic scatter arises in our simulations because the interstellar medium in dwarf galaxies is well mixed at nearly all cosmic times, such that stars that form at a given time have similar abundances to ≲0.1 dex. Thus, most of the scatter in abundances at z = 0 arises from redshift evolution and not from instantaneous scatter in the ISM. We find similar MDF widths and intrinsic scatter for satellite and isolated dwarf galaxies, which suggests that environmental effects play a minor role compared with internal chemical evolution in our simulations. Overall, with the inclusion of metal diffusion, our simulations reproduce abundance distribution widths of observed low-mass galaxies, enabling detailed studies of chemical evolution in galaxy formation.

Effect of wave localization on plasma instabilities

NASA Astrophysics Data System (ADS)

Levedahl, William Kirk

1987-10-01

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Consumer preference for seeds and seedlings of rare species impacts tree diversity at multiple scales.

PubMed

Young, Hillary S; McCauley, Douglas J; Guevara, Roger; Dirzo, Rodolfo

2013-07-01

Positive density-dependent seed and seedling predation, where herbivores selectively eat seeds or seedlings of common species, is thought to play a major role in creating and maintaining plant community diversity. However, many herbivores and seed predators are known to exhibit preferences for rare foods, which could lead to negative density-dependent predation. In this study, we first demonstrate the occurrence of increased predation of locally rare tree species by a widespread group of insular seed and seedling predators, land crabs. We then build computer simulations based on these empirical data to examine the effects of such predation on diversity patterns. Simulations show that herbivore preferences for locally rare species are likely to drive scale-dependent effects on plant community diversity: at small scales these foraging patterns decrease plant community diversity via the selective consumption of rare plant species, while at the landscape level they should increase diversity, at least for short periods, by promoting clustered local dominance of a variety of species. Finally, we compared observed patterns of plant diversity at the site to those obtained via computer simulations, and found that diversity patterns generated under simulations were highly consistent with observed diversity patterns. We posit that preference for rare species by herbivores may be prevalent in low- or moderate-diversity systems, and that these effects may help explain diversity patterns across different spatial scales in such ecosystems.

The RCM: A Resource Management and Program Budgeting Approach for State and Local Educational Agencies.

ERIC Educational Resources Information Center

Chambers, Jay G.; Parrish, Thomas B.

The Resource Cost Model (RCM) is a resource management system that combines the technical advantages of sophisticated computer simulation software with the practical benefits of group decision making to provide detailed information about educational program costs. The first section of this document introduces the conceptual framework underlying…

Dwarf Galaxies and the Cosmic Web

NASA Astrophysics Data System (ADS)

Benítez-Llambay, Alejandro; Navarro, Julio F.; Abadi, Mario G.; Gottlöber, Stefan; Yepes, Gustavo; Hoffman, Yehuda; Steinmetz, Matthias

2013-02-01

We use a cosmological simulation of the formation of the Local Group of Galaxies to identify a mechanism that enables the removal of baryons from low-mass halos without appealing to feedback or reionization. As the Local Group forms, matter bound to it develops a network of filaments and pancakes. This moving web of gas and dark matter drifts and sweeps a large volume, overtaking many halos in the process. The dark matter content of these halos is unaffected but their gas can be efficiently removed by ram pressure. The loss of gas is especially pronounced in low-mass halos due to their lower binding energy and has a dramatic effect on the star formation history of affected systems. This "cosmic web stripping" may help to explain the scarcity of dwarf galaxies compared with the numerous low-mass halos expected in ΛCDM and the large diversity of star formation histories and morphologies characteristic of faint galaxies. Although our results are based on a single high-resolution simulation, it is likely that the hydrodynamical interaction of dwarf galaxies with the cosmic web is a crucial ingredient so far missing from galaxy formation models.

Interrogating Surface Functional Group Heterogeneity of Activated Thermoplastics Using Super-Resolution Fluorescence Microscopy.

PubMed

ONeil, Colleen E; Jackson, Joshua M; Shim, Sang-Hee; Soper, Steven A

2016-04-05

We present a novel approach for characterizing surfaces utilizing super-resolution fluorescence microscopy with subdiffraction limit spatial resolution. Thermoplastic surfaces were activated by UV/O3 or O2 plasma treatment under various conditions to generate pendant surface-confined carboxylic acids (-COOH). These surface functional groups were then labeled with a photoswitchable dye and interrogated using single-molecule, localization-based, super-resolution fluorescence microscopy to elucidate the surface heterogeneity of these functional groups across the activated surface. Data indicated nonuniform distributions of these functional groups for both COC and PMMA thermoplastics with the degree of heterogeneity being dose dependent. In addition, COC demonstrated relative higher surface density of functional groups compared to PMMA for both UV/O3 and O2 plasma treatment. The spatial distribution of -COOH groups secured from super-resolution imaging were used to simulate nonuniform patterns of electroosmotic flow in thermoplastic nanochannels. Simulations were compared to single-particle tracking of fluorescent nanoparticles within thermoplastic nanoslits to demonstrate the effects of surface functional group heterogeneity on the electrokinetic transport process.

Adult sex ratios and partner scarcity among hunter-gatherers: implications for dispersal patterns and the evolution of human sociality.

PubMed

Kramer, Karen L; Schacht, Ryan; Bell, Adrian

2017-09-19

Small populations are susceptible to high genetic loads and random fluctuations in birth and death rates. While these selective forces can adversely affect their viability, small populations persist across taxa. Here, we investigate the resilience of small groups to demographic uncertainty, and specifically to fluctuations in adult sex ratio (ASR), partner availability and dispersal patterns. Using 25 years of demographic data for two Savannah Pumé groups of South American hunter-gatherers, we show that in small human populations: (i) ASRs fluctuate substantially from year to year, but do not consistently trend in a sex-biased direction; (ii) the primary driver of local variation in partner availability is stochasticity in the sex ratio at maturity; and (iii) dispersal outside of the group is an important behavioural means to mediate locally constrained mating options. To then simulate conditions under which dispersal outside of the local group may have evolved, we develop two mathematical models. Model results predict that if the ASR is biased, the globally rarer sex should disperse. The model's utility is then evaluated by applying our empirical data to this central prediction. The results are consistent with the observed hunter-gatherer pattern of variation in the sex that disperses. Together, these findings offer an alternative explanation to resource provisioning for the evolution of traits central to human sociality (e.g. flexible dispersal, bilocal post-marital residence and cooperation across local groups). We argue that in small populations, looking outside of one's local group is necessary to find a mate and that, motivated by ASR imbalance, the alliances formed to facilitate the movement of partners are an important foundation for the human-typical pattern of network formation across local groups.This article is part of the themed issue 'Adult sex ratios and reproductive decisions: a critical re-examination of sex differences in human and animal societies'. © 2017 The Author(s).

What the Local Group can tell us about the first stars and first galaxies

NASA Astrophysics Data System (ADS)

Jablonka, Pascale

2018-06-01

I will present a series of new observational results on the most pristine stellar population in some of the Local Group dwarf spheroidal galaxies, with particular focus on the level of homogeneity of their abundance ratios. I will draw comparisons with the Milky Way halo and discuss the very specific question of the neutron capture elements. Our understanding of the formation of dwarf galaxies strongly rely on our ability to model them. I will present the status of our recent high resolution chemo-dynamical simulations, describe our latest results on galaxy build-up processes, and discuss the challenges that modeling has to face, in particular in the mass range of the ultra-faint dwarfs.

Influence of Thermal Cycling on Flexural Properties and Simulated Wear of Computer-aided Design/Computer-aided Manufacturing Resin Composites.

PubMed

Tsujimoto, A; Barkmeier, W W; Takamizawa, T; Latta, M A; Miyazaki, M

The purpose of this study was to evaluate the influence of thermal cycling on the flexural properties and simulated wear of computer-aided design/computer-aided manufacturing (CAD/CAM) resin composites. The six CAD/CAM resin composites used in this study were 1) Lava Ultimate CAD/CAM Restorative (LU); 2) Paradigm MZ100 (PM); 3) CERASMART (CS); 4) Shofu Block HC (SB); 5) KATANA AVENCIA Block (KA); and 6) VITA ENAMIC (VE). Specimens were divided randomly into two groups, one of which was stored in distilled water for 24 hours, and the other of which was subjected to 10,000 thermal cycles. For each material, 15 specimens from each group were used to determine the flexural strength and modulus according to ISO 6872, and 20 specimens from each group were used to examine wear using a localized wear simulation model. The test materials were subjected to a wear challenge of 400,000 cycles in a Leinfelder-Suzuki device (Alabama machine). The materials were placed in custom-cylinder stainless steel fixtures, and simulated localized wear was generated using a stainless steel ball bearing (r=2.387 mm) antagonist in a water slurry of polymethyl methacrylate beads. Simulated wear was determined using a noncontact profilometer (Proscan 2100) with Proscan and AnSur 3D software. The two-way analysis of variance of flexural properties and simulated wear of CAD/CAM resin composites revealed that material type and thermal cycling had a significant influence (p<0.05), but there was no significant interaction (p>0.05) between the two factors. The flexural properties and maximum depth of wear facets of CAD/CAM resin composite were different (p<0.05) depending on the material, and their values were influenced (p>0.05) by thermal cycling, except in the case of VE. The volume losses in wear facets on LU, PM, and SB after 10,000 thermal cycles were significantly higher (p<0.05) than those after 24 hours of water storage, unlike CS, KA, and VE. The results of this study indicate that the flexural properties and simulated wear of CAD/CAM resin composites are different depending on the material. In addition, the flexural properties and simulated wear of CAD/CAM resin composites are influenced by thermal cycling.

The relationship between species detection probability and local extinction probability

USGS Publications Warehouse

Alpizar-Jara, R.; Nichols, J.D.; Hines, J.E.; Sauer, J.R.; Pollock, K.H.; Rosenberry, C.S.

2004-01-01

In community-level ecological studies, generally not all species present in sampled areas are detected. Many authors have proposed the use of estimation methods that allow detection probabilities that are < 1 and that are heterogeneous among species. These methods can also be used to estimate community-dynamic parameters such as species local extinction probability and turnover rates (Nichols et al. Ecol Appl 8:1213-1225; Conserv Biol 12:1390-1398). Here, we present an ad hoc approach to estimating community-level vital rates in the presence of joint heterogeneity of detection probabilities and vital rates. The method consists of partitioning the number of species into two groups using the detection frequencies and then estimating vital rates (e.g., local extinction probabilities) for each group. Estimators from each group are combined in a weighted estimator of vital rates that accounts for the effect of heterogeneity. Using data from the North American Breeding Bird Survey, we computed such estimates and tested the hypothesis that detection probabilities and local extinction probabilities were negatively related. Our analyses support the hypothesis that species detection probability covaries negatively with local probability of extinction and turnover rates. A simulation study was conducted to assess the performance of vital parameter estimators as well as other estimators relevant to questions about heterogeneity, such as coefficient of variation of detection probabilities and proportion of species in each group. Both the weighted estimator suggested in this paper and the original unweighted estimator for local extinction probability performed fairly well and provided no basis for preferring one to the other.

Staffs' and managers' perceptions of how and when discrete event simulation modelling can be used as a decision support in quality improvement: a focus group discussion study at two hospital settings in Sweden.

PubMed

Hvitfeldt-Forsberg, Helena; Mazzocato, Pamela; Glaser, Daniel; Keller, Christina; Unbeck, Maria

2017-06-06

To explore healthcare staffs' and managers' perceptions of how and when discrete event simulation modelling can be used as a decision support in improvement efforts. Two focus group discussions were performed. Two settings were included: a rheumatology department and an orthopaedic section both situated in Sweden. Healthcare staff and managers (n=13) from the two settings. Two workshops were performed, one at each setting. Workshops were initiated by a short introduction to simulation modelling. Results from the respective simulation model were then presented and discussed in the following focus group discussion. Categories from the content analysis are presented according to the following research questions: how and when simulation modelling can assist healthcare improvement? Regarding how, the participants mentioned that simulation modelling could act as a tool for support and a way to visualise problems, potential solutions and their effects. Regarding when, simulation modelling could be used both locally and by management, as well as a pedagogical tool to develop and test innovative ideas and to involve everyone in the improvement work. Its potential as an information and communication tool and as an instrument for pedagogic work within healthcare improvement render a broader application and value of simulation modelling than previously reported. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Systematic study of target localization for bioluminescence tomography guided radiation therapy

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

Yu, Jingjing; Zhang, Bin; Reyes, Juvenal

Purpose: To overcome the limitation of CT/cone-beam CT (CBCT) in guiding radiation for soft tissue targets, the authors developed a spectrally resolved bioluminescence tomography (BLT) system for the small animal radiation research platform. The authors systematically assessed the performance of the BLT system in terms of target localization and the ability to resolve two neighboring sources in simulations, tissue-mimicking phantom, and in vivo environments. Methods: Multispectral measurements acquired in a single projection were used for the BLT reconstruction. The incomplete variables truncated conjugate gradient algorithm with an iterative permissible region shrinking strategy was employed as the optimization scheme to reconstructmore » source distributions. Simulation studies were conducted for single spherical sources with sizes from 0.5 to 3 mm radius at depth of 3–12 mm. The same configuration was also applied for the double source simulation with source separations varying from 3 to 9 mm. Experiments were performed in a standalone BLT/CBCT system. Two self-illuminated sources with 3 and 4.7 mm separations placed inside a tissue-mimicking phantom were chosen as the test cases. Live mice implanted with single-source at 6 and 9 mm depth, two sources at 3 and 5 mm separation at depth of 5 mm, or three sources in the abdomen were also used to illustrate the localization capability of the BLT system for multiple targets in vivo. Results: For simulation study, approximate 1 mm accuracy can be achieved at localizing center of mass (CoM) for single-source and grouped CoM for double source cases. For the case of 1.5 mm radius source, a common tumor size used in preclinical study, their simulation shows that for all the source separations considered, except for the 3 mm separation at 9 and 12 mm depth, the two neighboring sources can be resolved at depths from 3 to 12 mm. Phantom experiments illustrated that 2D bioluminescence imaging failed to distinguish two sources, but BLT can provide 3D source localization with approximately 1 mm accuracy. The in vivo results are encouraging that 1 and 1.7 mm accuracy can be attained for the single-source case at 6 and 9 mm depth, respectively. For the 2 sources in vivo study, both sources can be distinguished at 3 and 5 mm separations, and approximately 1 mm localization accuracy can also be achieved. Conclusions: This study demonstrated that their multispectral BLT/CBCT system could be potentially applied to localize and resolve multiple sources at wide range of source sizes, depths, and separations. The average accuracy of localizing CoM for single-source and grouped CoM for double sources is approximately 1 mm except deep-seated target. The information provided in this study can be instructive to devise treatment margins for BLT-guided irradiation. These results also suggest that the 3D BLT system could guide radiation for the situation with multiple targets, such as metastatic tumor models.« less

Effects of functional groups and ionization on the structure of alkanethiol coated gold nanoparticles

NASA Astrophysics Data System (ADS)

Bolintineanu, Dan S.; Lane, J. Matthew D.; Grest, Gary S.

2013-03-01

We report fully atomistic molecular dynamics simulations of alkanethiol coated gold nanoparticles solvated in water and decane. The structure of the coatings is analyzed as a function of various functional end groups, including amine and carboxyl groups in different neutralization states. We study the effects of charge in the end groups for two different chain lengths (10 and 18 carbons) and different counterions (mono- and divalent). For the longer alkanes we find significant local phase segregation of chains on the nanoparticle surface, which results in highly asymmetric coating structures. In general, the charged end groups attenuate this effect by enhancing the water solubility of the nanoparticles. Based on the coating structures and density profiles, we can qualitatively infer the overall solubility of the nanoparticles. The asymmetry in the alkanethiol coatings is also likely to have a significant effect on aggregation behavior. More importantly, our simulations suggest the ability to modulate end group charge states (e.g. by changing the pH of the solution) in order to control coating structure, and therefore control solubility and aggregation behavior.

Simulating changes in ecosystem structure and composition in response to climate change: a case study focused on tropical nitrogen-fixing trees (Invited)

NASA Astrophysics Data System (ADS)

Medvigy, D.; Levy, J.; Xu, X.; Batterman, S. A.; Hedin, L.

2013-12-01

Ecosystems, by definition, involve a community of organisms. These communities generally exhibit heterogeneity in their structure and composition as a result of local variations in climate, soil, topography, disturbance history, and other factors. Climate-driven shifts in ecosystems will likely include an internal re-organization of community structure and composition and as well as the introduction of novel species. In terms of vegetation, this ecosystem heterogeneity can occur at relatively small scales, sometimes of the order of tens of meters or even less. Because this heterogeneous landscape generally has a variable and nonlinear response to environmental perturbations, it is necessary to carefully aggregate the local competitive dynamics between individual plants to the large scales of tens or hundreds of kilometers represented in climate models. Accomplishing this aggregation in a computationally efficient way has proven to be an extremely challenging task. To meet this challenge, the Ecosystem Demography 2 (ED2) model statistically characterizes a distribution of local resource environments, and then simulates the competition between individuals of different sizes and species (or functional groupings). Within this framework, it is possible to explicitly simulate the impacts of climate change on ecosystem structure and composition, including both internal re-organization and the introduction of novel species or functional groups. This presentation will include several illustrative applications of the evolution of ecosystem structure and composition under climate change. One application pertains to the role of nitrogen-fixing species in tropical forests. Will increasing CO2 concentrations increase the demand for nutrients and perhaps give a competitive edge to nitrogen-fixing species? Will potentially warmer and drier conditions make some tropical forests more water-limited, reducing the demand for nitrogen, thereby giving a competitive advantage to non-nitrogen-fixing species? Will the response of nitrogen-fixing species to climate change be sensitive to local disturbance histories?

Nanoscale structure and morphology of sulfonated polyphenylenes via atomistic simulations

DOE PAGES

Abbott, Lauren J.; Frischknecht, Amalie L.

2017-01-23

We performed atomistic simulations on a series of sulfonated polyphenylenes systematically varying the degree of sulfonation and water content to determine their effect on the nanoscale structure, particularly for the hydrophilic domains formed by the ionic groups and water molecules. We found that the local structure around the ionic groups depended on the sulfonation and hydration levels, with the sulfonate groups and hydronium ions less strongly coupled at higher water contents. In addition, we characterized the morphology of the ionic domains employing two complementary clustering algorithms. At low sulfonation and hydration levels, clusters were more elongated in shape and poorlymore » connected throughout the system. As the degree of sulfonation and water content were increased, the clusters became more spherical, and a fully percolated ionic domain was formed. As a result, these structural details have important implications for ion transport.« less

Measurements of localized core turbulence & turbulence suppression on DIII-D

NASA Astrophysics Data System (ADS)

Shafer, Morgan W.

The crucial dynamics of turbulent-driven cross-field transport in tokamak plasmas reside in the two-dimensional (2D) radial/poloidal plane. Thus, 2D measurements of turbulence are needed to test theoretical models and validate sophisticated gyrokinetic codes. Furthermore, measurements are important for understanding the role of turbulence suppression in enhanced confinement regimes. The Beam Emission Spectroscopy (BES) diagnostic on the DIII-D tokamak measures localized, long-wavelength (k⊥rho i≤1) density fluctuations in the 2D radial/poloidal plane and is suitable for these studies. Measurements of turbulence amplitude, S(kr,k theta) spectra, correlation lengths, decorrelation rates and group velocities are obtained via BES in the core (0.3< r/a <0.9) and compared to nonlinear gyrokinetic simulations from the GYRO code. The 2D measurements show a tilted eddy structure in the core that is consistent with ExB shear. The S(kr,ktheta) spectra are directly compared to GYRO simulations. These comparisons show the 2D structure is in reasonable agreement at r/a = 0.5 where the predicted turbulence amplitude and heat flux agree well with the measurements. However, the simulations show a strongly tilted eddy structure that extends to high-kr at r/a = 0.75, where the simulations under-predict the turbulence amplitude and heat flux. This is not observed in the experiment and suggests a possible over-exaggeration of an ExB or zonal flow shearing mechanism in the simulations. Measurements demonstrate local turbulence suppression near low-order rational q-surfaces at low magnetic shear. This interaction can lead to an Internal Transport Barrier (ITB) provided sufficient equilibrium ExB shear (largely due to the toroidal rotation of neutral beam heated rotating plasmas) sustains the barrier. Related GYRO simulations suggest these ITBs are triggered by zonal flows that form near the q = 2 surface. Consistent with the simulations, localized measurements demonstrate increased shear in the poloidal turbulence velocity. The resulting shear rate transiently exceeds the decorrelation rate, causing a reduction in turbulence and radial correlation length. The layer of suppressed turbulence moves radially outward, nearly coincident with integer q-surfaces.

MaGate Simulator: A Simulation Environment for a Decentralized Grid Scheduler

NASA Astrophysics Data System (ADS)

Huang, Ye; Brocco, Amos; Courant, Michele; Hirsbrunner, Beat; Kuonen, Pierre

This paper presents a simulator for of a decentralized modular grid scheduler named MaGate. MaGate’s design emphasizes scheduler interoperability by providing intelligent scheduling serving the grid community as a whole. Each MaGate scheduler instance is able to deal with dynamic scheduling conditions, with continuously arriving grid jobs. Received jobs are either allocated on local resources, or delegated to other MaGates for remote execution. The proposed MaGate simulator is based on GridSim toolkit and Alea simulator, and abstracts the features and behaviors of complex fundamental grid elements, such as grid jobs, grid resources, and grid users. Simulation of scheduling tasks is supported by a grid network overlay simulator executing distributed ant-based swarm intelligence algorithms to provide services such as group communication and resource discovery. For evaluation, a comparison of behaviors of different collaborative policies among a community of MaGates is provided. Results support the use of the proposed approach as a functional ready grid scheduler simulator.

On the mass of the local group

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

González, Roberto E.; Kravtsov, Andrey V.; Gnedin, Nickolay Y., E-mail: regonzar@astro.puc.cl

2014-10-01

We use recent proper motion measurements of the tangential velocity of M31, along with its radial velocity and distance, to derive the likelihood of the sum of halo masses of the Milky Way and M31. This is done using a sample of halo pairs in the Bolshoi cosmological simulation of ΛCDM cosmology selected to match the properties and the environment of the Local Group. The resulting likelihood gives an estimate of the sum of the masses of M {sub MW,} {sub 200c} + M {sub M31,} {sub 200c} = 2.40{sub −1.05}{sup +1.95}×10{sup 12} M{sub ⊙} (90% confidence interval). This estimatemore » is consistent with individual mass estimates for the Milky Way and M31 and is consistent, albeit somewhat on the low side, with the mass estimated using the timing argument. We show that although the timing argument is unbiased on average for all pairs, for pairs constrained to have radial and tangential velocities similar to that of the Local Group the argument overestimates the sum of masses by a factor of 1.6. Using similar technique, we estimate the total dark matter mass enclosed within 1 Mpc from the Local Group barycenter to be M{sub LG}(r<1 Mpc)=4.2{sub −2.0}{sup +3.4}×10{sup 12} M{sub ⊙} (90% confidence interval).« less

Intramolecular interactions in polymethylenic chains with polar end groups: The spectroscopic signature

NASA Astrophysics Data System (ADS)

Milani, Alberto; Castiglioni, Chiara; Brambilla, Luigi; Zerbi, Giuseppe

2012-02-01

We present a computational study based on DFT simulations of the infrared spectra of several short alkyl chains carrying polar end groups. The work aims to provide guidelines for the detection of marker bands signalling the occurrence of specific intramolecular interactions between the polar head and CH2 groups at different distances. In particular, the CH stretching region is investigated and new features assigned to normal modes localized on the CH2 groups nearest to the electron-withdrawing atom are identified. The study has been extended also to the rationalization of the experimental IR features shown by a 1-Chloroeicosane (C20H41Cl) sample.

Three-Dimensional Reconstruction of Coronary Arteries and Its Application in Localization of Coronary Artery Segments Corresponding to Myocardial Segments Identified by Transthoracic Echocardiography

PubMed Central

Zhong, Chunyan; Guo, Yanli; Huang, Haiyun; Tan, Liwen; Wu, Yi; Wang, Wenting

2013-01-01

Objectives. To establish 3D models of coronary arteries (CA) and study their application in localization of CA segments identified by Transthoracic Echocardiography (TTE). Methods. Sectional images of the heart collected from the first CVH dataset and contrast CT data were used to establish 3D models of the CA. Virtual dissection was performed on the 3D models to simulate the conventional sections of TTE. Then, we used 2D ultrasound, speckle tracking imaging (STI), and 2D ultrasound plus 3D CA models to diagnose 170 patients and compare the results to coronary angiography (CAG). Results. 3D models of CA distinctly displayed both 3D structure and 2D sections of CA. This simulated TTE imaging in any plane and showed the CA segments that corresponded to 17 myocardial segments identified by TTE. The localization accuracy showed a significant difference between 2D ultrasound and 2D ultrasound plus 3D CA model in the severe stenosis group (P < 0.05) and in the mild-to-moderate stenosis group (P < 0.05). Conclusions. These innovative modeling techniques help clinicians identify the CA segments that correspond to myocardial segments typically shown in TTE sectional images, thereby increasing the accuracy of the TTE-based diagnosis of CHD. PMID:24348745

A bio-inspired swarm robot coordination algorithm for multiple target searching

NASA Astrophysics Data System (ADS)

Meng, Yan; Gan, Jing; Desai, Sachi

2008-04-01

The coordination of a multi-robot system searching for multi targets is challenging under dynamic environment since the multi-robot system demands group coherence (agents need to have the incentive to work together faithfully) and group competence (agents need to know how to work together well). In our previous proposed bio-inspired coordination method, Local Interaction through Virtual Stigmergy (LIVS), one problem is the considerable randomness of the robot movement during coordination, which may lead to more power consumption and longer searching time. To address these issues, an adaptive LIVS (ALIVS) method is proposed in this paper, which not only considers the travel cost and target weight, but also predicting the target/robot ratio and potential robot redundancy with respect to the detected targets. Furthermore, a dynamic weight adjustment is also applied to improve the searching performance. This new method a truly distributed method where each robot makes its own decision based on its local sensing information and the information from its neighbors. Basically, each robot only communicates with its neighbors through a virtual stigmergy mechanism and makes its local movement decision based on a Particle Swarm Optimization (PSO) algorithm. The proposed ALIVS algorithm has been implemented on the embodied robot simulator, Player/Stage, in a searching target. The simulation results demonstrate the efficiency and robustness in a power-efficient manner with the real-world constraints.

From Dynamic Global Vegetation Modelling to Real-World regional and local Application

NASA Astrophysics Data System (ADS)

Steinkamp, J.; Forrest, M.; Kamm, K.; Leiblein-Wild, M.; Pachzelt, A.; Werner, C.; Hickler, T.

2015-12-01

Dynamic (global) vegetation models (DGVM) can be applied to any spatial resolution on the local, national, continental and global scale given suitable climatic and geographic input forcing data. LPJ-GUESS, the main DGVM applied in our research group, uses the plant functional type (PFT) concept in the global setup with typically about 10-20 tree PFTs (subdivided into tropical, temperate and boreal) and two herbaceous PFTs by default. When modelling smaller spatial extents, such as continental (e.g. Europe/North America) national domains, or individual sites (e.g. Frankfurt, Germany), i.e. the scale of decision making, it becomes necessary to refine the PFT representation, the model initialization and validation and, in some case, to include additional processes. I will present examples of LPJ-GUESS applications at the continental to local scale performed by our working group including i.) a European simulation representing the main tree species and Mediterranean shrubs, ii.) a climate impact study for Turkey, iii.) coupled dynamic large grazer-vegetation modelling across Africa and, iv.) modelling an allergenic and in Europe invasive shrub (Ambrosia artemisiifolia), iv.) simulating water usage by an oak-pine forest stand near Frankfurt, and v.) stand specific differences in modelling at the FACE sites. Finally, I will present some thoughts on how to advance the models in terms of more detailed and realistic PFT or species parameterizations accounting for adaptive functional trait responses also within species.

ULF waves at comets Halley and Giacobini-Zinner - Comparison with simulations

NASA Astrophysics Data System (ADS)

Le, G.; Russell, C. T.; Gary, S. P.; Smith, E. J.; Riedler, W.; Schwingenschuh, K.

1989-09-01

A comparison is made between observations and numerical simulations of magnetic fluctuations near the proton and water group ion cyclotron frequencies as a function of distance from the comets Halley and Giacobini-Zinner. The amplitude of waves due to different cyclotron resonant instabilities is monitored by examining the amplitude of waves near the gyrofrequency of the respective ions, measured in by the ICE spacecraft. The results are compared with a one-dimensional electromagnetic hybrid simulation of two-ion pickup based on the predictions of Gary et al. (1989). The observations are consistent with the prediction that amplitudes are dependent on the properties of the injected beams and the local injection rate.

Fast and local non-linear evolution of steep wave-groups on deep water: A comparison of approximate models to fully non-linear simulations

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

Adcock, T. A. A.; Taylor, P. H.

2016-01-15

The non-linear Schrödinger equation and its higher order extensions are routinely used for analysis of extreme ocean waves. This paper compares the evolution of individual wave-packets modelled using non-linear Schrödinger type equations with packets modelled using fully non-linear potential flow models. The modified non-linear Schrödinger Equation accurately models the relatively large scale non-linear changes to the shape of wave-groups, with a dramatic contraction of the group along the mean propagation direction and a corresponding extension of the width of the wave-crests. In addition, as extreme wave form, there is a local non-linear contraction of the wave-group around the crest whichmore » leads to a localised broadening of the wave spectrum which the bandwidth limited non-linear Schrödinger Equations struggle to capture. This limitation occurs for waves of moderate steepness and a narrow underlying spectrum.« less

Automatic variance reduction for Monte Carlo simulations via the local importance function transform

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

Turner, S.A.

1996-02-01

The author derives a transformed transport problem that can be solved theoretically by analog Monte Carlo with zero variance. However, the Monte Carlo simulation of this transformed problem cannot be implemented in practice, so he develops a method for approximating it. The approximation to the zero variance method consists of replacing the continuous adjoint transport solution in the transformed transport problem by a piecewise continuous approximation containing local biasing parameters obtained from a deterministic calculation. He uses the transport and collision processes of the transformed problem to bias distance-to-collision and selection of post-collision energy groups and trajectories in a traditionalmore » Monte Carlo simulation of ``real`` particles. He refers to the resulting variance reduction method as the Local Importance Function Transform (LIFI) method. He demonstrates the efficiency of the LIFT method for several 3-D, linearly anisotropic scattering, one-group, and multigroup problems. In these problems the LIFT method is shown to be more efficient than the AVATAR scheme, which is one of the best variance reduction techniques currently available in a state-of-the-art Monte Carlo code. For most of the problems considered, the LIFT method produces higher figures of merit than AVATAR, even when the LIFT method is used as a ``black box``. There are some problems that cause trouble for most variance reduction techniques, and the LIFT method is no exception. For example, the author demonstrates that problems with voids, or low density regions, can cause a reduction in the efficiency of the LIFT method. However, the LIFT method still performs better than survival biasing and AVATAR in these difficult cases.« less

Real-Time Counting People in Crowded Areas by Using Local Empirical Templates and Density Ratios

NASA Astrophysics Data System (ADS)

Hung, Dao-Huu; Hsu, Gee-Sern; Chung, Sheng-Luen; Saito, Hideo

In this paper, a fast and automated method of counting pedestrians in crowded areas is proposed along with three contributions. We firstly propose Local Empirical Templates (LET), which are able to outline the foregrounds, typically made by single pedestrians in a scene. LET are extracted by clustering foregrounds of single pedestrians with similar features in silhouettes. This process is done automatically for unknown scenes. Secondly, comparing the size of group foreground made by a group of pedestrians to that of appropriate LET captured in the same image patch with the group foreground produces the density ratio. Because of the local scale normalization between sizes, the density ratio appears to have a bound closely related to the number of pedestrians who induce the group foreground. Finally, to extract the bounds of density ratios for groups of different number of pedestrians, we propose a 3D human models based simulation in which camera viewpoints and pedestrians' proximity are easily manipulated. We collect hundreds of typical occluded-people patterns with distinct degrees of human proximity and under a variety of camera viewpoints. Distributions of density ratios with respect to the number of pedestrians are built based on the computed density ratios of these patterns for extracting density ratio bounds. The simulation is performed in the offline learning phase to extract the bounds from the distributions, which are used to count pedestrians in online settings. We reveal that the bounds seem to be invariant to camera viewpoints and humans' proximity. The performance of our proposed method is evaluated with our collected videos and PETS 2009's datasets. For our collected videos with the resolution of 320x240, our method runs in real-time with good accuracy and frame rate of around 30 fps, and consumes a small amount of computing resources. For PETS 2009's datasets, our proposed method achieves competitive results with other methods tested on the same datasets [1], [2].

Effect of wave localization on plasma instabilities. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Levedahl, William Kirk

1987-01-01

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Effects of simulated microgravity on arterial nitric oxide synthase and nitrate and nitrite content

NASA Technical Reports Server (NTRS)

Ma, Jin; Kahwaji, Chadi I.; Ni, Zhenmin; Vaziri, Nosratola D.; Purdy, Ralph E.

2003-01-01

The aim of the present work was to investigate the alterations in nitric oxide synthase (NOS) expression and nitrate and nitrite (NOx) content of different arteries from simulated microgravity rats. Male Wistar rats were randomly assigned to either a control group or simulated microgravity group. For simulating microgravity, animals were subjected to hindlimb unweighting (HU) for 20 days. Different arterial tissues were removed for determination of NOS expression and NOx. Western blotting was used to measure endothelial NOS (eNOS) and inducible NOS (iNOS) protein content. Total concentrations of NOx, stable metabolites of nitric oxide, were determined by the chemiluminescence method. Compared with controls, isolated vessels from simulated microgravity rats showed a significant increase in both eNOS and iNOS expression in carotid arteries and thoracic aorta and a significant decrease in eNOS and iNOS expression of mesenteric arteries. The eNOS and iNOS content of cerebral arteries, as well as that of femoral arteries, showed no differences between the two groups. Concerning NOx, vessels from HU rats showed an increase in cerebral arteries, a decrease in mesenteric arteries, and no change in carotid artery, femoral artery and thoracic aorta. These data indicated that there were differential alterations in NOS expression and NOx of different arteries after hindlimb unweighting. We suggest that these changes might represent both localized adaptations to differential body fluid redistribution and other factors independent of hemodynamic shifts during simulated microgravity.

Visual crowding illustrates the inadequacy of local vs. global and feedforward vs. feedback distinctions in modeling visual perception

PubMed Central

Clarke, Aaron M.; Herzog, Michael H.; Francis, Gregory

2014-01-01

Experimentalists tend to classify models of visual perception as being either local or global, and involving either feedforward or feedback processing. We argue that these distinctions are not as helpful as they might appear, and we illustrate these issues by analyzing models of visual crowding as an example. Recent studies have argued that crowding cannot be explained by purely local processing, but that instead, global factors such as perceptual grouping are crucial. Theories of perceptual grouping, in turn, often invoke feedback connections as a way to account for their global properties. We examined three types of crowding models that are representative of global processing models, and two of which employ feedback processing: a model based on Fourier filtering, a feedback neural network, and a specific feedback neural architecture that explicitly models perceptual grouping. Simulations demonstrate that crucial empirical findings are not accounted for by any of the models. We conclude that empirical investigations that reject a local or feedforward architecture offer almost no constraints for model construction, as there are an uncountable number of global and feedback systems. We propose that the identification of a system as being local or global and feedforward or feedback is less important than the identification of a system's computational details. Only the latter information can provide constraints on model development and promote quantitative explanations of complex phenomena. PMID:25374554

Properties of Galaxies and Groups: Nature versus Nurture

NASA Astrophysics Data System (ADS)

Niemi, Sami-Matias

2011-09-01

Due to the inherently nonlinear nature of gravity cosmological N-body simulations have become an invaluable tool when the growth of structure is being studied and modelled closer to the present epoch. Large simulations with high dynamical range have made it possible to model the formation and growth of cosmic structure with unprecedented accuracy. Moreover, galaxies, the basic building blocks of the Universe, can also be modelled in cosmological context. However, despite all the simulations and successes in recent decades, there are still many unanswered questions in the field of galaxy formation and evolution. One of the longest standing issue being the significance of the formation place and thus initial conditions to a galaxy's evolution in respect to environment, often formulated simply as "nature versus nurture" like in human development and psychology. Unfortunately, our understanding of galaxy evolution in different environments is still limited, albeit, for example, the morphology-density relation has shown that the density of the galaxy's local environment can affect its properties. Consequently, the environment should play a role in galaxy evolution, however despite the efforts, the exact role of the galaxy's local environment to its evolution remains open. This thesis introduction discusses briefly the background cosmology, cosmological N-body simulations and semi-analytical models. The second part is reserved for groups of galaxies, whether they are gravitationally bound, and what this may imply for galaxy evolution. The third part of the thesis concentrates on describing results of a case study of isolated field elliptical galaxies. The final chapter discusses another case study of luminous infra-red galaxies.

[Locally weighted least squares estimation of DPOAE evoked by continuously sweeping primaries].

PubMed

Han, Xiaoli; Fu, Xinxing; Cui, Jie; Xiao, Ling

2013-12-01

Distortion product otoacoustic emission (DPOAE) signal can be used for diagnosis of hearing loss so that it has an important clinical value. Continuously using sweeping primaries to measure DPOAE provides an efficient tool to record DPOAE data rapidly when DPOAE is measured in a large frequency range. In this paper, locally weighted least squares estimation (LWLSE) of 2f1-f2 DPOAE is presented based on least-squares-fit (LSF) algorithm, in which DPOAE is evoked by continuously sweeping tones. In our study, we used a weighted error function as the loss function and the weighting matrixes in the local sense to obtain a smaller estimated variance. Firstly, ordinary least squares estimation of the DPOAE parameters was obtained. Then the error vectors were grouped and the different local weighting matrixes were calculated in each group. And finally, the parameters of the DPOAE signal were estimated based on least squares estimation principle using the local weighting matrixes. The simulation results showed that the estimate variance and fluctuation errors were reduced, so the method estimates DPOAE and stimuli more accurately and stably, which facilitates extraction of clearer DPOAE fine structure.

Cloud computing and validation of expandable in silico livers

PubMed Central

2010-01-01

Background In Silico Livers (ISLs) are works in progress. They are used to challenge multilevel, multi-attribute, mechanistic hypotheses about the hepatic disposition of xenobiotics coupled with hepatic responses. To enhance ISL-to-liver mappings, we added discrete time metabolism, biliary elimination, and bolus dosing features to a previously validated ISL and initiated re-validated experiments that required scaling experiments to use more simulated lobules than previously, more than could be achieved using the local cluster technology. Rather than dramatically increasing the size of our local cluster we undertook the re-validation experiments using the Amazon EC2 cloud platform. So doing required demonstrating the efficacy of scaling a simulation to use more cluster nodes and assessing the scientific equivalence of local cluster validation experiments with those executed using the cloud platform. Results The local cluster technology was duplicated in the Amazon EC2 cloud platform. Synthetic modeling protocols were followed to identify a successful parameterization. Experiment sample sizes (number of simulated lobules) on both platforms were 49, 70, 84, and 152 (cloud only). Experimental indistinguishability was demonstrated for ISL outflow profiles of diltiazem using both platforms for experiments consisting of 84 or more samples. The process was analogous to demonstration of results equivalency from two different wet-labs. Conclusions The results provide additional evidence that disposition simulations using ISLs can cover the behavior space of liver experiments in distinct experimental contexts (there is in silico-to-wet-lab phenotype similarity). The scientific value of experimenting with multiscale biomedical models has been limited to research groups with access to computer clusters. The availability of cloud technology coupled with the evidence of scientific equivalency has lowered the barrier and will greatly facilitate model sharing as well as provide straightforward tools for scaling simulations to encompass greater detail with no extra investment in hardware. PMID:21129207

Coherent states formulation of polymer field theory

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

Man, Xingkun; Villet, Michael C.; Materials Research Laboratory, University of California, Santa Barbara, California 93106

2014-01-14

We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations.more » The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.« less

DWARF GALAXIES AND THE COSMIC WEB

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

Benitez-Llambay, Alejandro; Abadi, Mario G.; Navarro, Julio F.

2013-02-01

We use a cosmological simulation of the formation of the Local Group of Galaxies to identify a mechanism that enables the removal of baryons from low-mass halos without appealing to feedback or reionization. As the Local Group forms, matter bound to it develops a network of filaments and pancakes. This moving web of gas and dark matter drifts and sweeps a large volume, overtaking many halos in the process. The dark matter content of these halos is unaffected but their gas can be efficiently removed by ram pressure. The loss of gas is especially pronounced in low-mass halos due tomore » their lower binding energy and has a dramatic effect on the star formation history of affected systems. This 'cosmic web stripping' may help to explain the scarcity of dwarf galaxies compared with the numerous low-mass halos expected in {Lambda}CDM and the large diversity of star formation histories and morphologies characteristic of faint galaxies. Although our results are based on a single high-resolution simulation, it is likely that the hydrodynamical interaction of dwarf galaxies with the cosmic web is a crucial ingredient so far missing from galaxy formation models.« less

Entanglement dynamics in critical random quantum Ising chain with perturbations

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

Huang, Yichen, E-mail: ychuang@caltech.edu

We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique. - Highlights: • We study the dynamical quantum phase transition between many-body localized phases. • We simulate the dynamics of a very long random spin chain with matrix product states. • We observe numerically super-logarithmic growth of entanglement entropy with time.

Surface hydration amplifies single-well protein atom diffusion propagating into the macromolecular core

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

Hong, Liang; Cheng, Xiaolin; Glass, Dennis C.

2012-06-05

The effect of surface hydration water on internal protein motion is of fundamental interest in molecular biophysics. Here, by decomposing the picosecond to nanosecond atomic motion in molecular dynamics simulations of lysozyme at different hydration levels into three components localized single-well diffusion, methyl group rotation, and nonmethyl jumps we show that the effect of surface hydration is mainly to increase the volume of the localized single-well diffusion. As a result, these diffusive motions are coupled in such a way that the hydration effect propagates from the protein surface into the dry core.

Discrimination surfaces with application to region-specific brain asymmetry analysis.

PubMed

Martos, Gabriel; de Carvalho, Miguel

2018-05-20

Discrimination surfaces are here introduced as a diagnostic tool for localizing brain regions where discrimination between diseased and nondiseased participants is higher. To estimate discrimination surfaces, we introduce a Mann-Whitney type of statistic for random fields and present large-sample results characterizing its asymptotic behavior. Simulation results demonstrate that our estimator accurately recovers the true surface and corresponding interval of maximal discrimination. The empirical analysis suggests that in the anterior region of the brain, schizophrenic patients tend to present lower local asymmetry scores in comparison with participants in the control group. Copyright © 2018 John Wiley & Sons, Ltd.

Suites of dwarfs around Nearby giant galaxies

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

Karachentsev, Igor D.; Kaisina, Elena I.; Makarov, Dmitry I., E-mail: ikar@sao.ru, E-mail: kei@sao.ru, E-mail: dim@sao.ru

2014-01-01

The Updated Nearby Galaxy Catalog (UNGC) contains the most comprehensive summary of distances, radial velocities, and luminosities for 800 galaxies located within 11 Mpc from us. The high density of observables in the UNGC makes this sample indispensable for checking results of N-body simulations of cosmic structures on a ∼1 Mpc scale. The environment of each galaxy in the UNGC was characterized by a tidal index Θ{sub 1}, depending on the separation and mass of the galaxy's main disturber (MD). We grouped UNGC galaxies with a common MD in suites, and ranked suite members according to their Θ{sub 1}. Allmore » suite members with positive Θ{sub 1} are assumed to be physical companions of the MD. About 58% of the sample are members of physical groups. The distribution of suites by the number of members, n, follows a relation N(n) ∼ n {sup –2}. The 20 most populated suites contain 468 galaxies, i.e., 59% of the UNGC sample. The fraction of MDs among the brightest galaxies is almost 100% and drops to 50% at M{sub B} = –18{sup m}. We discuss various properties of MDs, as well as galaxies belonging to their suites. The suite abundance practically does not depend on the morphological type, linear diameter, or hydrogen mass of the MD, the tightest correlation being with the MD dynamical mass. Dwarf galaxies around MDs exhibit well-known segregation effects: the population of the outskirts has later morphological types, richer H I contents, and higher rates of star formation activity. Nevertheless, there are some intriguing cases where dwarf spheroidal galaxies occur at the far periphery of the suites, as well as some late-type dwarfs residing close to MDs. Comparing simulation results with galaxy groups, most studies assume the Local Group is fairly typical. However, we recognize that the nearby groups significantly differ from each other and there is considerable variation in their properties. The suites of companions around the Milky Way and M31, consisting of the Local Group, do not quite seem to be a typical nearby group. The multiplicity of nearby groups of the number of their physical members can be described by the Hirsh-like index h{sub g} = 9, indicating that the Local Volume contains nine groups with populations exceeding nine companions to their MDs.« less

Galaxy clusters in local Universe simulations without density constraints: a long uphill struggle

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.

2018-06-01

Galaxy clusters are excellent cosmological probes provided that their formation and evolution within the large scale environment are precisely understood. Therefore studies with simulated galaxy clusters have flourished. However detailed comparisons between simulated and observed clusters and their population - the galaxies - are complicated by the diversity of clusters and their surrounding environment. An original way initiated by Bertschinger as early as 1987, to legitimize the one-to-one comparison exercise down to the details, is to produce simulations constrained to resemble the cluster under study within its large scale environment. Subsequently several methods have emerged to produce simulations that look like the local Universe. This paper highlights one of these methods and its essential steps to get simulations that not only resemble the local Large Scale Structure but also that host the local clusters. It includes a new modeling of the radial peculiar velocity uncertainties to remove the observed correlation between the decreases of the simulated cluster masses and of the amount of data used as constraints with the distance from us. This method has the particularity to use solely radial peculiar velocities as constraints: no additional density constraints are required to get local cluster simulacra. The new resulting simulations host dark matter halos that match the most prominent local clusters such as Coma. Zoom-in simulations of the latter and of a volume larger than the 30h-1 Mpc radius inner sphere become now possible to study local clusters and their effects. Mapping the local Sunyaev-Zel'dovich and Sachs-Wolfe effects can follow.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Evolutionary Self-Questioning Games with Local Contribution

NASA Astrophysics Data System (ADS)

Liu, Yong-Kui; Li, Zhi; Chen, Xiao-Jie; Wang, Long

2009-08-01

We investigate the evolutionary Prisoner's Dilemma and the Snowdrift Game on small-world networks in a realistic social context where individuals consider their local contributions to their group and update their strategies by self-questioning. An individual with introspection can determine whether its current strategy is superior by playing a virtual round of the game and its local contribution is defined as the sum of all the payoffs its neighbors collect against it. In our model, the performance of an individual is determined by both its payoff and local contribution through a linear combination. We demonstrate that the present mechanism can produce very robust cooperative behavior in both games. Furthermore, we provide theoretical analysis based on mean-field approximation, and find that the analytical predictions are qualitatively consistent with the simulation results.

Storm observations by remote sensing and influences of gustiness on ocean waves and on generation of rogue waves

NASA Astrophysics Data System (ADS)

Pleskachevsky, Andrey L.; Lehner, Susanne; Rosenthal, Wolfgang

2012-09-01

The impact of the gustiness on surface waves under storm conditions is investigated with focus on the appearance of wave groups with extreme high amplitude and wavelength in the North Sea. During many storms characterized by extremely high individual waves measured near the German coast, especially in cold air outbreaks, the moving atmospheric open cells are observed by optical and radar satellites. According to measurements, the footprint of the cell produces a local increase in the wind field at sea surface, moving as a consistent system with a propagation speed near to swell wave-traveling speed. The optical and microwave satellite data are used to connect mesoscale atmospheric turbulences and the extreme waves measured. The parameters of open cells observed are used for numerical spectral wave modeling. The North Sea with horizontal resolution of 2.5 km and with focus on the German Bight was simulated. The wind field "storm in storm," including moving organized mesoscale eddies with increased wind speed, was generated. To take into account the rapid moving gust structure, the input wind field was updated each 5 min. The test cases idealized with one, two, and four open individual cells and, respectively, with groups of open cells, with and without preexisting sea state, as well the real storm conditions, are simulated. The model results confirm that an individual-moving open cell can cause the local significant wave height increase in order of meters within the cell area and especially in a narrow area of 1-2 km at the footprint center of a cell (the cell's diameter is 40-90 km). In a case of a traveling individual open cell with 15 m·s-1 over a sea surface with a preexisting wind sea of and swell, a local significant wave height increase of 3.5 m is produced. A group of cells for a real storm condition produces a local increase of significant wave height of more than 6 m during a short time window of 10-20 min (cell passing). The sea surface simulation from modeled wave spectra points out the appearance of wave groups including extreme individual waves with a period of about 25 s and a wavelength of more than 350 m under the cell's footprint. This corresponds well with measurement of a rogue wave group with length of about 400 m and a period of near 25 s. This has been registered at FiNO-1 research platform in the North Sea during Britta storm on November 1, 2006 at 04:00 UTC. The results can explain the appearance of rogue waves in the German Bight and can be used for ship safety and coastal protection. Presently, the considered mesoscale gustiness cannot be incorporated in present operational wave forecasting systems, since it needs an update of the wind field at spatial and temporal scales, which is still not available for such applications. However, the scenario simulations for cell structures with appropriate travel speed, observed by optical and radar satellites, can be done and applied for warning messages.

Planes of satellite galaxies and the cosmic web

NASA Astrophysics Data System (ADS)

Libeskind, Noam I.; Hoffman, Yehuda; Tully, R. Brent; Courtois, Helene M.; Pomarède, Daniel; Gottlöber, Stefan; Steinmetz, Matthias

2015-09-01

Recent observational studies have demonstrated that the majority of satellite galaxies tend to orbit their hosts on highly flattened, vast, possibly corotating planes. Two nearly parallel planes of satellites have been confirmed around the M31 galaxy and around the Centaurus A galaxy, while the Milky Way also sports a plane of satellites. It has been argued that such an alignment of satellites on vast planes is unexpected in the standard Λ cold dark matter (ΛCDM) model of cosmology if not even in contradiction to its generic predictions. Guided by ΛCDM numerical simulations, which suggest that satellites are channelled towards hosts along the axis of the slowest collapse as dictated by the ambient velocity shear tensor, we re-examine the planes of local satellites systems within the framework of the local shear tensor derived from the Cosmicflows-2 data set. The analysis reveals that the Local Group and Centaurus A reside in a filament stretched by the Virgo cluster and compressed by the expansion of the Local Void. Four out of five thin planes of satellite galaxies are indeed closely aligned with the axis of compression induced by the Local Void. Being the less massive system, the moderate misalignment of the Milky Way's satellite plane can likely be ascribed to its greater susceptibility to tidal torques, as suggested by numerical simulations. The alignment of satellite systems in the local Universe with the ambient shear field is thus in general agreement with predictions of the ΛCDM model.

Heterogeneous chain dynamics and aggregate lifetimes in precise acid-containing polyethylenes: Experiments and simulations

DOE PAGES

Middleton, L. Robert; Tarver, Jacob D.; Cordaro, Joseph; ...

2016-11-10

Melt state dynamics for a series of strictly linear polyethylenes with precisely spaced associating functional groups were investigated. The periodic pendant acrylic acid groups form hydrogen-bonded acid aggregates within the polyethylene (PE) matrix. The dynamics of these nanoscale heterogeneous morphologies were investigated from picosecond to nanosecond timescales by both quasi-elastic neutron scattering (QENS) measurements and fully atomistic molecular dynamics (MD) simulations. Two dynamic processes were observed. The faster dynamic processes which occur at the picosecond timescales are compositionally insensitive and indicative of spatially restricted local motions. The slower dynamic processes are highly composition dependent and indicate the structural relaxation ofmore » the polymer backbone. Higher acid contents, or shorter PE spacers between pendant acid groups, slow the structural relaxation timescale and increase the stretching parameter (β) of the structural relaxation. Additionally, the dynamics of specific hydrogen atom positions along the backbone correlate structural heterogeneity imposed by the associating acid groups with a mobility gradient along the polymer backbone. At time intervals (<2 ns), the mean-squared displacements for the four methylene groups closest to the acid groups are up to 10 times smaller than those of methylene groups further from the acid groups. At longer timescales acid aggregates rearrange and the chain dynamics of the slow, near-aggregate regions and the faster bridge regions converge, implying a characteristic timescale for the passage of chains between aggregates. As a result, the characterization of the nanoscale chain dynamics in these associating polymer systems both provides validation of simulation force fields and provides understanding of heterogeneous chain dynamics in associating polymers.« less

The dynamics of the Local Group as a probe of dark energy and modified gravity

NASA Astrophysics Data System (ADS)

Carlesi, Edoardo; Mota, David F.; Winther, Hans A.

2017-04-01

In this work, we study the dynamics of the Local Group (LG) within the context of cosmological models beyond General Relativity (GR). Using observable kinematic quantities to identify candidate pairs, we build up samples of simulated LG-like objects drawing from f(R), symmetron, Dvali, Gabadadze & Porrati and quintessence N-body simulations together with their Λ cold dark matter (ΛCDM) counterparts featuring the same initial random phase realizations. The variables and intervals used to define LG-like objects are referred to as LG model; different models are used throughout this work and adapted to study their dynamical and kinematic properties. The aim is to determine how well the observed LG dynamics can be reproduced within cosmological theories beyond GR, We compute kinematic properties of samples drawn from alternative theories and ΛCDM and compare them to actual observations of the LG mass, velocity and position. As a consequence of the additional pull, pairwise tangential and radial velocities are enhanced in modified gravity and coupled dark energy with respect to ΛCDM inducing significant changes to the total angular momentum and energy of the LG. For example, in models such as f(R) and the symmetron this increase can be as large as 60 per cent, peaking well outside of the 95 per cent confidence region allowed by the data. This shows how simple considerations about the LG dynamics can lead to clear small-scale observational signatures for alternative scenarios, without the need of expensive high-resolution simulations.

Simulation of a Real-Time Local Data Integration System over East-Central Florida

NASA Technical Reports Server (NTRS)

Case, Jonathan

1999-01-01

The Applied Meteorology Unit (AMU) simulated a real-time configuration of a Local Data Integration System (LDIS) using data from 15-28 February 1999. The objectives were to assess the utility of a simulated real-time LDIS, evaluate and extrapolate system performance to identify the hardware necessary to run a real-time LDIS, and determine the sensitivities of LDIS. The ultimate goal for running LDIS is to generate analysis products that enhance short-range (less than 6 h) weather forecasts issued in support of the 45th Weather Squadron, Spaceflight Meteorology Group, and Melbourne National Weather Service operational requirements. The simulation used the Advanced Regional Prediction System (ARPS) Data Analysis System (ADAS) software on an IBM RS/6000 workstation with a 67-MHz processor. This configuration ran in real-time, but not sufficiently fast for operational requirements. Thus, the AMU recommends a workstation with a 200-MHz processor and 512 megabytes of memory to run the AMU's configuration of LDIS in real-time. This report presents results from two case studies and several data sensitivity experiments. ADAS demonstrates utility through its ability to depict high-resolution cloud and wind features in a variety of weather situations. The sensitivity experiments illustrate the influence of disparate data on the resulting ADAS analyses.

Augmented reality in gynecologic surgery: evaluation of potential benefits for myomectomy in an experimental uterine model.

PubMed

Bourdel, Nicolas; Collins, Toby; Pizarro, Daniel; Bartoli, Adrien; Da Ines, David; Perreira, Bruno; Canis, Michel

2017-01-01

Augmented Reality (AR) is a technology that can allow a surgeon to see subsurface structures. This works by overlaying information from another modality, such as MRI and fusing it in real time with the endoscopic images. AR has never been developed for a very mobile organ like the uterus and has never been performed for gynecology. Myomas are not always easy to localize in laparoscopic surgery when they do not significantly change the surface of the uterus, or are at multiple locations. To study the accuracy of myoma localization using a new AR system compared to MRI-only localization. Ten residents were asked to localize six myomas (on a uterine model into a laparoscopic box) when either using AR or in conditions that simulate a standard method (only the MRI was available). Myomas were randomly divided in two groups: the control group (MRI only, AR not activated) and the AR group (AR activated). Software was used to automatically measure the distance between the point of contact on the uterine surface and the myoma. We compared these distances to the true shortest distance to obtain accuracy measures. The time taken to perform the task was measured, and an assessment of the complexity was performed. The mean accuracy in the control group was 16.80 mm [0.1-52.2] versus 0.64 mm [0.01-4.71] with AR. In the control group, the mean time to perform the task was 18.68 [6.4-47.1] s compared to 19.6 [3.9-77.5] s with AR. The mean score of difficulty (evaluated for each myoma) was 2.36 [1-4] versus 0.87 [0-4], respectively, for the control and the AR group. We developed an AR system for a very mobile organ. This is the first user study to quantitatively evaluate an AR system for improving a surgical task. In our model, AR improves localization accuracy.

Local Dynamics of Acid- and Ion-containing Copolymer Melts

NASA Astrophysics Data System (ADS)

Winey, Karen; Middleton, Robert; Tarver, Jacob; Tyagi, Madhusudan; Soles, Christopher; Frischknecht, Amalie

Interest in acid- and ion-containing polymers arises in part from applications as single-ion conductors for selectively transporting a counter ion for battery applications. Structurally, the low dielectric constant of organic polymers and strong ionic interactions leads to ionic aggregation. Here the polymer backbone motion was investigated through quasi-elastic neutron scattering measurements (QENS) and compared with fully atomistic molecular dynamic simulations of precise poly(ethylene-acrylic acid) copolymers and their ionomers (pxAA-y%Li). The effect of carbon spacer length (x =9, 15, 21) between the acid groups and the degree of neutralization (y) with Li on PE backbone dynamics were considered. Systematic slowing in chain dynamics were observed with increasing neutralization where polymer dynamics appear constrained due to anchoring effects. Simulations provide complementary viewpoints indicating a gradient in chain dynamics as a distance away from acid groups. These results indicate that the addition of pendant acid groups inhibit typical PE backbone motion and the neutralized forms strongly suppress the fraction of mobile PE chain.

Link-prediction to tackle the boundary specification problem in social network surveys

PubMed Central

De Wilde, Philippe; Buarque de Lima-Neto, Fernando

2017-01-01

Diffusion processes in social networks often cause the emergence of global phenomena from individual behavior within a society. The study of those global phenomena and the simulation of those diffusion processes frequently require a good model of the global network. However, survey data and data from online sources are often restricted to single social groups or features, such as age groups, single schools, companies, or interest groups. Hence, a modeling approach is required that extrapolates the locally restricted data to a global network model. We tackle this Missing Data Problem using Link-Prediction techniques from social network research, network generation techniques from the area of Social Simulation, as well as a combination of both. We found that techniques employing less information may be more adequate to solve this problem, especially when data granularity is an issue. We validated the network models created with our techniques on a number of real-world networks, investigating degree distributions as well as the likelihood of links given the geographical distance between two nodes. PMID:28426826

Role of oxygen functional groups for structure and dynamics of interfacial water on low rank coal surface: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

You, Xiaofang; Wei, Hengbin; Zhu, Xianchang; Lyu, Xianjun; Li, Lin

2018-07-01

Molecular dynamics simulations were employed to study the effects of oxygen functional groups for structure and dynamics properties of interfacial water molecules on the subbituminous coal surface. Because of complex composition and structure, the graphite surface modified by hydroxyl, carboxyl and carbonyl groups was used to represent the surface model of subbituminous coal according to XPS results, and the composing proportion for hydroxyl, carbonyl and carboxyl is 25:3:5. The hydration energy with -386.28 kJ/mol means that the adsorption process between water and coal surface is spontaneous. Density profiles for oxygen atoms and hydrogen atoms indicate that the coal surface properties affect the structural and dynamic characteristics of the interfacial water molecules. The interfacial water exhibits much more ordering than bulk water. The results of radial distribution functions, mean square displacement and local self-diffusion coefficient for water molecule related to three oxygen moieties confirmed that the water molecules prefer to absorb with carboxylic groups, and adsorption of water molecules at the hydroxyl and carbonyl is similar.

TWO LOCAL VOLUME DWARF GALAXIES DISCOVERED IN 21 cm EMISSION: PISCES A AND B

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

Tollerud, Erik J.; Geha, Marla C.; Grcevich, Jana

2015-01-01

We report the discovery of two dwarf galaxies, Pisces A and B, from a blind 21 cm H I search. These were the only two galaxies found via optical imaging and spectroscopy of 22 H I clouds identified in the GALFA-H I survey as dwarf galaxy candidates. They have properties consistent with being in the Local Volume (<10 Mpc), and one has resolved stellar populations such that it may be on the outer edge of the Local Group (∼1 Mpc from M31). While the distance uncertainty makes interpretation ambiguous, these may be among the faintest star-forming galaxies known. Additionally, rough estimatesmore » comparing these galaxies to ΛCDM dark matter simulations suggest consistency in number density, implying that the dark matter halos likely to host these galaxies are primarily H I-rich. The galaxies may thus be indicative of a large population of dwarfs at the limit of detectability that are comparable to the faint satellites of the Local Group. Because they are outside the influence of a large dark matter halo to alter their evolution, these galaxies can provide critical anchors to dwarf galaxy formation models.« less

Undescended testis? How best to teach the physical examination.

PubMed

Zundel, S; Blumenstock, G; Herrmann-Werner, A; Trueck, M; Schmidt, A; Wiechers, S

2016-12-01

Undescended testis in boys is common. Guidelines recommend surgical treatment between the ages of 6 months and 2 years; nevertheless, orchidopexy is frequently performed at later ages. One reason is the belated diagnosis due to a perceived difficulty in the physical examination (PE) and correct localization of the testis. We aimed to find an effective method for teaching the physical examination of the testis in a child. An interdisciplinary team developed teaching sessions, including an educational video and a simulator. Medical students (n = 133) were randomized into three groups: self-study only, video, and video and simulator. The sessions were carried out and quantitative feedback was collected from the teachers and students. The learning achievements of the different groups were assessed with an objective structured clinical examination (OSCE). The differences in mean OSCE results between all three groups were tested using one-way analysis of variance (ANOVA). For multiple pairwise comparisons, a closed testing procedure was performed using unpaired t-tests. The self-study only group acquired the poorest results in the OSCE, with a mean score of 5.1 out of 10. The video-only-group reached a mean of 6.7, and the video-and-simulator group performed best with a mean score of 8.5. The differences between all three groups were found to be statistically significant, with P = 0.007. The attached figure illustrates this data. If analyzed in pairs, this difference was particularly apparent between the groups self-study only vs video and simulator, with P = 0.002. Qualitative feedback revealed doubtful effectiveness for educational videos, but positive reactions to training on a simulator. The poor results of the self-study-only group were in accordance with the literature, where textbook learning was found not to increase OSCE results. The effectiveness of video tutorials remains doubtful; studies focusing on this teaching method are divergent and the present students' feedback supports this data. The effective teaching with the simulator has been proven for other skills (i.e. ultrasound skills). The analyzed cohort for this study was small, and the study should be repeated at different institutions and with larger numbers of students to assure generalizability. Low-fidelity pediatric simulators with palpable testis are available and are able to improve examining skills in medical students. We hope the presented study inspires medical educators in their teaching of the PE of the pediatric testis. Copyright © 2016 Journal of Pediatric Urology Company. Published by Elsevier Ltd. All rights reserved.

Local plate/rod descriptors of 3D trabecular bone micro-CT images from medial axis topologic analysis

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

Peyrin, Francoise; Attali, Dominique; Chappard, Christine

Purpose: Trabecular bone microarchitecture is made of a complex network of plate and rod structures evolving with age and disease. The purpose of this article is to propose a new 3D local analysis method for the quantitative assessment of parameters related to the geometry of trabecular bone microarchitecture. Methods: The method is based on the topologic classification of the medial axis of the 3D image into branches, rods, and plates. Thanks to the reversibility of the medial axis, the classification is next extended to the whole 3D image. Finally, the percentages of rods and plates as well as their meanmore » thicknesses are calculated. The method was applied both to simulated test images and 3D micro-CT images of human trabecular bone. Results: The classification of simulated phantoms made of plates and rods shows that the maximum error in the quantitative percentages of plate and rods is less than 6% and smaller than with the structure model index (SMI). Micro-CT images of human femoral bone taken in osteoporosis and early or advanced osteoarthritis were analyzed. Despite the large physiological variability, the present method avoids the underestimation of rods observed with other local methods. The relative percentages of rods and plates were not significantly different between osteoarthritis and osteoporotic groups, whereas their absolute percentages were in relation to an increase of rod and plate thicknesses in advanced osteoarthritis with also higher relative and absolute number of nodes. Conclusions: The proposed method is model-independent, robust to surface irregularities, and enables geometrical characterization of not only skeletal structures but entire 3D images. Its application provided more accurate results than the standard SMI on simple simulated phantoms, but the discrepancy observed on the advanced osteoarthritis group raises questions that will require further investigations. The systematic use of such a local method in the characterization of trabecular bone samples could provide new insight in bone microarchitecture changes related to bone diseases or to those induced by drugs or therapy.« less

PSI-Center Simulations of Validation Platform Experiments

NASA Astrophysics Data System (ADS)

Nelson, B. A.; Akcay, C.; Glasser, A. H.; Hansen, C. J.; Jarboe, T. R.; Marklin, G. J.; Milroy, R. D.; Morgan, K. D.; Norgaard, P. C.; Shumlak, U.; Victor, B. S.; Sovinec, C. R.; O'Bryan, J. B.; Held, E. D.; Ji, J.-Y.; Lukin, V. S.

2013-10-01

The Plasma Science and Innovation Center (PSI-Center - http://www.psicenter.org) supports collaborating validation platform experiments with extended MHD simulations. Collaborators include the Bellan Plasma Group (Caltech), CTH (Auburn U), FRX-L (Los Alamos National Laboratory), HIT-SI (U Wash - UW), LTX (PPPL), MAST (Culham), Pegasus (U Wisc-Madison), PHD/ELF (UW/MSNW), SSX (Swarthmore College), TCSU (UW), and ZaP/ZaP-HD (UW). Modifications have been made to the NIMROD, HiFi, and PSI-Tet codes to specifically model these experiments, including mesh generation/refinement, non-local closures, appropriate boundary conditions (external fields, insulating BCs, etc.), and kinetic and neutral particle interactions. The PSI-Center is exploring application of validation metrics between experimental data and simulations results. Biorthogonal decomposition is proving to be a powerful method to compare global temporal and spatial structures for validation. Results from these simulation and validation studies, as well as an overview of the PSI-Center status will be presented.

Communication cost of simulating Bell correlations.

PubMed

Toner, B F; Bacon, D

2003-10-31

What classical resources are required to simulate quantum correlations? For the simplest and most important case of local projective measurements on an entangled Bell pair state, we show that exact simulation is possible using local hidden variables augmented by just one bit of classical communication. Certain quantum teleportation experiments, which teleport a single qubit, therefore admit a local hidden variables model.

Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states.

PubMed

Kohn, Lucas; Tschirsich, Ferdinand; Keck, Maximilian; Plenio, Martin B; Tamascelli, Dario; Montangero, Simone

2018-01-01

We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states

NASA Astrophysics Data System (ADS)

Kohn, Lucas; Tschirsich, Ferdinand; Keck, Maximilian; Plenio, Martin B.; Tamascelli, Dario; Montangero, Simone

2018-01-01

We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

Anderson Localization in Quark-Gluon Plasma

NASA Astrophysics Data System (ADS)

Kovács, Tamás G.; Pittler, Ferenc

2010-11-01

At low temperature the low end of the QCD Dirac spectrum is well described by chiral random matrix theory. In contrast, at high temperature there is no similar statistical description of the spectrum. We show that at high temperature the lowest part of the spectrum consists of a band of statistically uncorrelated eigenvalues obeying essentially Poisson statistics and the corresponding eigenvectors are extremely localized. Going up in the spectrum the spectral density rapidly increases and the eigenvectors become more and more delocalized. At the same time the spectral statistics gradually crosses over to the bulk statistics expected from the corresponding random matrix ensemble. This phenomenon is reminiscent of Anderson localization in disordered conductors. Our findings are based on staggered Dirac spectra in quenched lattice simulations with the SU(2) gauge group.

The Complete Local Volume Groups Sample - I. Sample selection and X-ray properties of the high-richness subsample

NASA Astrophysics Data System (ADS)

O'Sullivan, Ewan; Ponman, Trevor J.; Kolokythas, Konstantinos; Raychaudhury, Somak; Babul, Arif; Vrtilek, Jan M.; David, Laurence P.; Giacintucci, Simona; Gitti, Myriam; Haines, Chris P.

2017-12-01

We present the Complete Local-Volume Groups Sample (CLoGS), a statistically complete optically selected sample of 53 groups within 80 Mpc. Our goal is to combine X-ray, radio and optical data to investigate the relationship between member galaxies, their active nuclei and the hot intra-group medium (IGM). We describe sample selection, define a 26-group high-richness subsample of groups containing at least four optically bright (log LB ≥ 10.2 LB⊙) galaxies, and report the results of XMM-Newton and Chandra observations of these systems. We find that 14 of the 26 groups are X-ray bright, possessing a group-scale IGM extending at least 65 kpc and with luminosity >1041 erg s-1, while a further three groups host smaller galaxy-scale gas haloes. The X-ray bright groups have masses in the range M500 ≃ 0.5-5 × 1013 M⊙, based on system temperatures of 0.4-1.4 keV, and X-ray luminosities in the range 2-200 × 1041 erg s-1. We find that ∼53-65 per cent of the X-ray bright groups have cool cores, a somewhat lower fraction than found by previous archival surveys. Approximately 30 per cent of the X-ray bright groups show evidence of recent dynamical interactions (mergers or sloshing), and ∼35 per cent of their dominant early-type galaxies host active galactic nuclei with radio jets. We find no groups with unusually high central entropies, as predicted by some simulations, and confirm that CLoGS is in principle capable of detecting such systems. We identify three previously unrecognized groups, and find that they are either faint (LX, R500 < 1042 erg s-1) with no concentrated cool core, or highly disturbed. This leads us to suggest that ∼20 per cent of X-ray bright groups in the local universe may still be unidentified.

The Desolate Desert Controversy: Should Presto Power Company Build a Nuclear Plant? Instructor's Guide [and] Student Materials. A Business-in-the-Classroom Lesson Plan.

ERIC Educational Resources Information Center

Maxey, Phyllis F.

One of a series of units designed to acquaint secondary school students with business issues, this packet focuses on the complex and controversial topic of energy technology. In a 5-day simulation, students play the roles of energy commission members, and business, local, and public interest group witnesses who must determine whether to build a…

Lattice Boltzmann simulation of shear-induced particle migration in plane Couette-Poiseuille flow: Local ordering of suspension

NASA Astrophysics Data System (ADS)

Chun, Byoungjin; Kwon, Ilyoung; Jung, Hyun Wook; Hyun, Jae Chun

2017-12-01

The shear-induced migration of concentrated non-Brownian monodisperse suspensions in combined plane Couette-Poiseuille (C-P) flows is studied using a lattice Boltzmann simulation. The simulations are mainly performed for a particle volume fraction of ϕbulk = 0.4 and H/a = 44.3, 23.3, where H and a denote the channel height and radius of suspended particles, respectively. The simulation method is validated in two simple flows, plane Poiseuille and plane Couette flows. In the Poiseuille flow, particles migrate to the mid-plane of the channel where the local concentration is close to the limit of random-close-packing, and a random structure is also observed at the plane. In the Couette flow, the particle distribution remains in the initial uniform distribution. In the combined C-P flows, the behaviors of migration are categorized into three groups, namely, Poiseuille-dominant, Couette-dominant, and intermediate regimes, based on the value of a characteristic force, G, where G denotes the relative magnitude of the body force (P) against the wall-driving force (C). With respect to the Poiseuille-dominant regime, the location of the maximum concentration is shifted from the mid-plane to the lower wall moving in the same direction as the external body force, when G decreases. With respect to the Couette-dominant regime, the behavior is similar to that of a simple shear flow with the exception that a slightly higher concentration of particles is observed near the lower wall. However, with respect to the intermediate value of G, several layers of highly ordered particles are unexpectedly observed near the lower wall where the plane of maximum concentration is located. The locally ordered structure is mainly due to the lateral migration of particles and wall confinement. The suspended particles migrate toward a vanishingly small shear rate at the wall, and they are consequently layered into highly ordered two-dimensional structures at the high local volume fraction.

Small-Tip-Angle Spokes Pulse Design Using Interleaved Greedy and Local Optimization Methods

PubMed Central

Grissom, William A.; Khalighi, Mohammad-Mehdi; Sacolick, Laura I.; Rutt, Brian K.; Vogel, Mika W.

2013-01-01

Current spokes pulse design methods can be grouped into methods based either on sparse approximation or on iterative local (gradient descent-based) optimization of the transverse-plane spatial frequency locations visited by the spokes. These two classes of methods have complementary strengths and weaknesses: sparse approximation-based methods perform an efficient search over a large swath of candidate spatial frequency locations but most are incompatible with off-resonance compensation, multifrequency designs, and target phase relaxation, while local methods can accommodate off-resonance and target phase relaxation but are sensitive to initialization and suboptimal local cost function minima. This article introduces a method that interleaves local iterations, which optimize the radiofrequency pulses, target phase patterns, and spatial frequency locations, with a greedy method to choose new locations. Simulations and experiments at 3 and 7 T show that the method consistently produces single- and multifrequency spokes pulses with lower flip angle inhomogeneity compared to current methods. PMID:22392822

Molecular dynamics simulations of fluoropolymers in the solid state

NASA Astrophysics Data System (ADS)

Holt, David Bryan

1998-10-01

Molecular mechanics and dynamics simulations have been utilized to address the behavior of helix reversal defects in fluoropolymers. The results of the simulations confirm that helix reversals do form and migrate in PTFE crystals. The most important defect structure is a helix reversal band: two helix reversals which bracker a small chain segment (typically 6-7 backbone atoms) having the opposite helical sense from the parent molecule. Small reversal bands had velocities ranging between 100 m/s (low temperature)-250 m/s (high temperature). The size of this reversal band defect is dependent upon the helical conformation and is equal to approximately half of the helical repeat unit in the low and intermediate temperature phases. In the high temperature phase where intermolecular effects are diminished, a wider distribution of reversal band sizes was observed during the simulations. A mechanism is identified by which significant reorientation of a chain segment about the molecular axis can occur when it is bracketed by two helix reversal bands. Simulations with a model containing a perfluoromethyl (PFM) group at low temperature showed that the presence of the PFM group significantly restricts chain mobility locally. However, a significant reduction in the helix reversal defect density was observed on neighboring chains as well. During simulations in which a shear deformation was applied to the models with and without a PFM group, an increase in reversal defect density was observed. However, the helix reversal density in the sheared model containing the PFM branch was less than that in the model without a PFM branch under no shear. These data implicate helix reversal defects and associated chain segment motions in the mechanical behavior of fluoropolymer materials.

Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics

NASA Astrophysics Data System (ADS)

Malpathak, Shreyas; Ma, Xinyou; Hase, William L.

2018-04-01

In a previous UB3LYP/6-31G* direct dynamics simulation, non-Rice-Ramsperger-Kassel-Marcus (RRKM) unimolecular dynamics was found for vibrationally excited 1,2-dioxetane (DO); [R. Sun et al., J. Chem. Phys. 137, 044305 (2012)]. In the work reported here, these dynamics are studied in more detail using the same direct dynamics method. Vibrational modes of DO were divided into 4 groups, based on their characteristic motions, and each group excited with the same energy. To compare with the dynamics of these groups, an additional group of trajectories comprising a microcanonical ensemble was also simulated. The results of these simulations are consistent with the previous study. The dissociation probability, N(t)/N(0), for these excitation groups were all different. Groups A, B, and C, without initial excitation in the O-O stretch reaction coordinate, had a time lag to of 0.25-1.0 ps for the first dissociation to occur. Somewhat surprisingly, the C-H stretch Group A and out-of-plane motion Group C excitations had exponential dissociation probabilities after to, with a rate constant ˜2 times smaller than the anharmonic RRKM value. Groups B and D, with excitation of the H-C-H bend and wag, and ring bend and stretch modes, respectively, had bi-exponential dissociation probabilities. For Group D, with excitation localized in the reaction coordinate, the initial rate constant is ˜7 times larger than the anharmonic RRKM value, substantial apparent non-RRKM dynamics. N(t)/N(0) for the random excitation trajectories was non-exponential, indicating intrinsic non-RRKM dynamics. For the trajectory integration time of 13.5 ps, 9% of these trajectories did not dissociate in comparison to the RRKM prediction of 0.3%. Classical power spectra for these trajectories indicate they have regular intramolecular dynamics. The N(t)/N(0) for the excitation groups are well described by a two-state coupled phase space model. From the intercept of N(t)/N(0) with random excitation, the anharmonic correction to the RRKM rate constant is approximately a factor of 1.5.

On Market-Based Coordination of Thermostatically Controlled Loads With User Preference

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

Li, Sen; Zhang, Wei; Lian, Jianming

2014-12-15

This paper presents a market-based control framework to coordinate a group of autonomous Thermostatically Controlled Loads (TCL) to achieve the system-level objectives with pricing incentives. The problem is formulated as maximizing the social welfare subject to feeder power constraint. It allows the coordinator to affect the aggregated power of a group of dynamical systems, and creates an interactive market where the users and the coordinator cooperatively determine the optimal energy allocation and energy price. The optimal pricing strategy is derived, which maximizes social welfare while respecting the feeder power constraint. The bidding strategy is also designed to compute the optimalmore » price in real time (e.g., every 5 minutes) based on local device information. The coordination framework is validated with realistic simulations in GridLab-D. Extensive simulation results demonstrate that the proposed approach effectively maximizes the social welfare and decreases power congestion at key times.« less

The place of the Local Group in the cosmic web

NASA Astrophysics Data System (ADS)

Forero-Romero, Jaime E.; González, Roberto

2016-10-01

We use the Bolshoi Simulation to find the most probable location of the Local Group (LG) in the cosmic web. Our LG simulacra are pairs of halos with isolation and kinematic properties consistent with observations. The cosmic web is defined using a tidal tensor approach. We find that the LG's preferred location is regions with a dark matter overdensity close to the cosmic average. This makes filaments and sheets the preferred environment. We also find a strong alignment between the LG and the cosmic web. The orbital angular momentum is preferentially perpendicular to the smallest tidal eigenvector, while the vector connecting the two halos is strongly aligned along the the smallest tidal eigenvector and perpendicular to the largest tidal eigenvector; the pair lies and moves along filaments and sheets. We do not find any evidence for an alignment between the spin of each halo in the pair and the cosmic web.

Stiffening of fluid membranes due to thermal undulations: density-matrix renormalization-group study.

PubMed

Nishiyama, Yoshihiro

2002-12-01

It has been considered that the effective bending rigidity of fluid membranes should be reduced by thermal undulations. However, recent thorough investigation by Pinnow and Helfrich revealed the significance of measure factors for the partition sum. Accepting the local curvature as a statistical measure, they found that fluid membranes are stiffened macroscopically. In order to examine this remarkable idea, we performed extensive ab initio simulations for a fluid membrane. We set up a transfer matrix that is diagonalized by means of the density-matrix renormalization group. Our method has an advantage, in that it allows us to survey various statistical measures. As a consequence, we found that the effective bending rigidity flows toward strong coupling under the choice of local curvature as a statistical measure. On the contrary, for other measures such as normal displacement and tilt angle, we found a clear tendency toward softening.

The evolution of social learning mechanisms and cultural phenomena in group foragers.

PubMed

van der Post, Daniel J; Franz, Mathias; Laland, Kevin N

2017-02-10

Advanced cognitive abilities are widely thought to underpin cultural traditions and cumulative cultural change. In contrast, recent simulation models have found that basic social influences on learning suffice to support both cultural phenomena. In the present study we test the predictions of these models in the context of skill learning, in a model with stochastic demographics, variable group sizes, and evolved parameter values, exploring the cultural ramifications of three different social learning mechanisms. Our results show that that simple forms of social learning such as local enhancement, can generate traditional differences in the context of skill learning. In contrast, we find cumulative cultural change is supported by observational learning, but not local or stimulus enhancement, which supports the idea that advanced cognitive abilities are important for generating this cultural phenomenon in the context of skill learning. Our results help to explain the observation that animal cultures are widespread, but cumulative cultural change might be rare.

Insight on invasions and resilience derived from spatiotemporal discontinuities of biomass at local and regional scales

USGS Publications Warehouse

Angeler, David G.; Allen, Criag R.; Johnson, Richard K.

2012-01-01

Understanding the social and ecological consequences of species invasions is complicated by nonlinearities in processes, and differences in process and structure as scale is changed. Here we use discontinuity analyses to investigate nonlinear patterns in the distribution of biomass of an invasive nuisance species that could indicate scale-specific organization. We analyze biomass patterns in the flagellate Gonyostomum semen (Raphidophyta) in 75 boreal lakes during an 11-year period (1997-2007). With simulations using a unimodal null model and cluster analysis, we identified regional groupings of lakes based on their biomass patterns. We evaluated the variability of membership of individual lakes in regional biomass groups. Temporal trends in local and regional discontinuity patterns were analyzed using regressions and correlations with environmental variables that characterize nutrient conditions, acidity status, temperature variability, and water clarity. Regionally, there was a significant increase in the number of biomass groups over time, indicative of an increased number of scales at which algal biomass organizes across lakes. This increased complexity correlated with the invasion history of G. semen and broad-scale environmental change (recovery from acidification). Locally, no consistent patterns of lake membership to regional biomass groups were observed, and correlations with environmental variables were lake specific. The increased complexity of regional biomass patterns suggests that processes that act within or between scales reinforce the presence of G. semen and its potential to develop high-biomass blooms in boreal lakes. Emergent regional patterns combined with locally stochastic dynamics suggest a bleak future for managing G. semen, and more generally why invasive species can be ecologically successful.

Propagation of localized structures in relativistic magnetized electron-positron plasmas using particle-in-cell simulations

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

López, Rodrigo A.; Muñoz, Víctor; Viñas, Adolfo F.

2015-09-15

We use a particle-in-cell simulation to study the propagation of localized structures in a magnetized electron-positron plasma with relativistic finite temperature. We use as initial condition for the simulation an envelope soliton solution of the nonlinear Schrödinger equation, derived from the relativistic two fluid equations in the strongly magnetized limit. This envelope soliton turns out not to be a stable solution for the simulation and splits in two localized structures propagating in opposite directions. However, these two localized structures exhibit a soliton-like behavior, as they keep their profile after they collide with each other due to the periodic boundary conditions.more » We also observe the formation of localized structures in the evolution of a spatially uniform circularly polarized Alfvén wave. In both cases, the localized structures propagate with an amplitude independent velocity.« less

Molecular simulation of dispersion and mechanical stability of organically modified layered silicates in polymer matrices

NASA Astrophysics Data System (ADS)

Fu, Yao-Tsung

The experimental analysis of nanometer-scale separation processes and mechanical properties at buried interfaces in nanocomposites has remained difficult. We have employed molecular dynamics simulation in relation to available experimental data to alleviate such limitations and gain insight into the dispersion and mechanical stability of organically modified layered silicates in hydrophobic polymer matrices. We analyzed cleavage energies of various organically modified silicates as a function of the cation exchange capacity, surfactant head group chemistry, and chain length using MD simulations with the PCFF-PHYLLOSILICATE force field. The range of the cleavage energy is between 25 and 210 mJ/m2 upon the molecular structures and packing of surfactants. As a function of chain length, the cleavage energy indicates local minima for interlayer structures comprised of loosely packed layers of alkyl chains and local maxima for interlayer structures comprised of densely packed layers of alkyl chains between the layers. In addition, the distribution of cationic head groups between the layers in the equilibrium state determines whether large increases in cleavage energy due to Coulomb attraction. We have also examined mechanical bending and failure mechanisms of layered silicates on the nanometer scale using molecular dynamics simulation in comparison to a library of TEM data of polymer nanocomposites. We investigated the energy of single clay lamellae as a function of bending radius and different cation density. The layer energy increases particularly for bending radii below 20 nm and is largely independent of cation exchange capacity. The analysis of TEM images of agglomerated and exfoliated aluminosilicates of different CEC in polymer matrices at small volume fractions showed bending radii in excess of 100 nm due to free volumes in the polymer matrix. At a volume fraction >5%, however, bent clay layers were found with bending radii <20 nm and kinks as a failure mechanism in good agreement with simulation results. We have examined thermal conductivity of organically modified layered silicates using molecular dynamics simulation in comparison to experimental results by laser measurement. The thermal conductivity slightly increased from 0.08 to 0.14 Wm-1K-1 with increasing chain length, related to the gallery spacing and interlayer density of the organic material.

Cosmicflows Constrained Local UniversE Simulations

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.; Gottlöber, Stefan; Yepes, Gustavo; Hoffman, Yehuda; Courtois, Helene M.; Steinmetz, Matthias; Tully, R. Brent; Pomarède, Daniel; Carlesi, Edoardo

2016-01-01

This paper combines observational data sets and cosmological simulations to generate realistic numerical replicas of the nearby Universe. The latter are excellent laboratories for studies of the non-linear process of structure formation in our neighbourhood. With measurements of radial peculiar velocities in the local Universe (cosmicflows-2) and a newly developed technique, we produce Constrained Local UniversE Simulations (CLUES). To assess the quality of these constrained simulations, we compare them with random simulations as well as with local observations. The cosmic variance, defined as the mean one-sigma scatter of cell-to-cell comparison between two fields, is significantly smaller for the constrained simulations than for the random simulations. Within the inner part of the box where most of the constraints are, the scatter is smaller by a factor of 2 to 3 on a 5 h-1 Mpc scale with respect to that found for random simulations. This one-sigma scatter obtained when comparing the simulated and the observation-reconstructed velocity fields is only 104 ± 4 km s-1, I.e. the linear theory threshold. These two results demonstrate that these simulations are in agreement with each other and with the observations of our neighbourhood. For the first time, simulations constrained with observational radial peculiar velocities resemble the local Universe up to a distance of 150 h-1 Mpc on a scale of a few tens of megaparsecs. When focusing on the inner part of the box, the resemblance with our cosmic neighbourhood extends to a few megaparsecs (<5 h-1 Mpc). The simulations provide a proper large-scale environment for studies of the formation of nearby objects.

Relate better and judge less: poverty simulation promoting culturally competent care in community health nursing.

PubMed

Yang, Kyeongra; Woomer, Gail Ratliff; Agbemenu, Kafuli; Williams, Lynne

2014-11-01

The study aim was to evaluate the effectiveness of a poverty simulation in increasing understanding of and attitudes toward poverty and resulting in changes in clinical practice among nursing seniors. A poverty simulation was conducted using a diverse group of nursing professors and staff from local community agencies assuming the role of community resource providers. Students were assigned roles as members of low-income families and were required to complete tasks during a simulated month. A debriefing was held after the simulation to explore students' experiences in a simulated poverty environment. Students' understanding of and attitude toward poverty pre- and post-simulation were examined. Changes in the students' clinical experiences following the simulation were summarized into identified categories and themes. The poverty simulation led to a greater empathy for the possible experiences of low income individuals and families, understanding of barriers to health care, change in attitudes towards poverty and to those living in poverty, and changes in the students' nursing practice. Use of poverty simulation is an effective means to teach nursing students about the experience of living in poverty. The simulation experience changed nursing students' clinical practice, with students providing community referrals and initiating inter-professional collaborations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Emerging collective behavior and local properties of financial dynamics in a public investment game

NASA Astrophysics Data System (ADS)

da Silva, Roberto; Bazzan, Ana L. C.; Baraviera, Alexandre T.; Dahmen, Sílvio R.

2006-11-01

In this paper we consider a simple model of a society of economic agents, namely a variation of the well known “public investment game”, where each agent can contribute with a discrete quantity, i.e., cooperate to increase the benefits of the group. Interactions take place among nearest neighbors and depend on the motivation level (insider information, economy prospects). The profit is used to update individual motivations. We first explore a deterministic scenario and the existence of fixed points and attractors. We also consider the presence of noise, where profits fluctuate stochastically. In this scenario we analyze the global persistence as a function of time-a measure of the probability that the amount of money of the entire group remains at least equal to its initial value. Our simulations show that this quantity has a power law behavior. We have also performed simulations with a population of heterogeneous agents, including deceivers and conservatives. We show that, although there is no regular pattern regarding the average wealth, robust power laws for persistence do exist and argue that this can be used to characterize the emerging collective behavior. The influence of the motivation updating and the presence of conservatives and deceivers on persistence is also studied. Simulations for the local persistence exploring two different versions of this concept: the probability of a particular agent not going bankrupt (i.e., remaining wealth ⩾0 up to time t) and the probability of a particular agent making more money than he initially had. Different power law behaviors are also observed in these situations.

Local-Area-Network Simulator

NASA Technical Reports Server (NTRS)

Gibson, Jim; Jordan, Joe; Grant, Terry

1990-01-01

Local Area Network Extensible Simulator (LANES) computer program provides method for simulating performance of high-speed local-area-network (LAN) technology. Developed as design and analysis software tool for networking computers on board proposed Space Station. Load, network, link, and physical layers of layered network architecture all modeled. Mathematically models according to different lower-layer protocols: Fiber Distributed Data Interface (FDDI) and Star*Bus. Written in FORTRAN 77.

The Inhomogeneous Reionization Times of Present-day Galaxies

NASA Astrophysics Data System (ADS)

Aubert, Dominique; Deparis, Nicolas; Ocvirk, Pierre; Shapiro, Paul R.; Iliev, Ilian T.; Yepes, Gustavo; Gottlöber, Stefan; Hoffman, Yehuda; Teyssier, Romain

2018-04-01

Today’s galaxies experienced cosmic reionization at different times in different locations. For the first time, reionization (50% ionized) redshifts, z R , at the location of their progenitors are derived from new, fully coupled radiation-hydrodynamics simulation of galaxy formation and reionization at z > 6, matched to N-body simulation to z = 0. Constrained initial conditions were chosen to form the well-known structures of the local universe, including the Local Group and Virgo, in a (91 Mpc)3 volume large enough to model both global and local reionization. Reionization simulation CoDa I-AMR, by CPU-GPU code EMMA, used (2048)3 particles and (2048)3 initial cells, adaptively refined, while N-body simulation CoDa I-DM2048, by Gadget2, used (2048)3 particles, to find reionization times for all galaxies at z = 0 with masses M(z = 0) ≥ 108 M ⊙. Galaxies with M(z=0)≳ {10}11 {M}ȯ reionized earlier than the universe as a whole, by up to ∼500 Myr, with significant scatter. For Milky Way–like galaxies, z R ranged from 8 to 15. Galaxies with M(z=0)≲ {10}11 {M}ȯ typically reionized as late or later than globally averaged 50% reionization at < {z}R> =7.8, in neighborhoods where reionization was completed by external radiation. The spread of reionization times within galaxies was sometimes as large as the galaxy-to-galaxy scatter. The Milky Way and M31 reionized earlier than global reionization but later than typical for their mass, neither dominated by external radiation. Their most-massive progenitors at z > 6 had z R =9.8 (MW) and 11 (M31), while their total masses had z R = 8.2 (both).

Implementation of a WRF-CMAQ Air Quality Modeling System in Bogotá, Colombia

NASA Astrophysics Data System (ADS)

Nedbor-Gross, R.; Henderson, B. H.; Pachon, J. E.; Davis, J. R.; Baublitz, C. B.; Rincón, A.

2014-12-01

Due to a continuous economic growth Bogotá, Colombia has experienced air pollution issues in recent years. The local environmental authority has implemented several strategies to curb air pollution that have resulted in the decrease of PM10 concentrations since 2010. However, more activities are necessary in order to meet international air quality standards in the city. The University of Florida Air Quality and Climate group is collaborating with the Universidad de La Salle to prioritize regulatory strategies for Bogotá using air pollution simulations. To simulate pollution, we developed a modeling platform that combines the Weather Research and Forecasting Model (WRF), local emissions, and the Community Multi-scale Air Quality model (CMAQ). This platform is the first of its kind to be implemented in the megacity of Bogota, Colombia. The presentation will discuss development and evaluation of the air quality modeling system, highlight initial results characterizing photochemical conditions in Bogotá, and characterize air pollution under proposed regulatory strategies. The WRF model has been configured and applied to Bogotá, which resides in a tropical climate with complex mountainous topography. Developing the configuration included incorporation of local topography and land-use data, a physics sensitivity analysis, review, and systematic evaluation. The threshold, however, was set based on synthesis of model performance under less mountainous conditions. We will evaluate the impact that differences in autocorrelation contribute to the non-ideal performance. Air pollution predictions are currently under way. CMAQ has been configured with WRF meteorology, global boundary conditions from GEOS-Chem, and a locally produced emission inventory. Preliminary results from simulations show promising performance of CMAQ in Bogota. Anticipated results include a systematic performance evaluation of ozone and PM10, characterization of photochemical sensitivity, and air quality predictions under proposed regulatory scenarios.

CLUES to the past: Local Group progenitors amongst high-redshift Lyman break galaxies

NASA Astrophysics Data System (ADS)

Dayal, Pratika; Libeskind, Noam I.; Dunlop, James S.

2013-06-01

We use state-of-the-art numerical simulations to explore the observability and the expected physical properties of the progenitors of the Local Group galaxies at z ≃ 6-8, within 1 billion years of the big bang. We find that the most massive progenitors of the Milky Way (MW) and Andromeda (M31) at z ≃ 6 and 7 are predicted to have absolute ultraviolet (UV) continuum magnitudes MUV ≃ -17 to -18, suggesting that their analogues lie close to the detection limits of the deepest near-infrared (IR) surveys conducted to date [i.e. Hubble Space Telescope Wide Field Camera 3/IR Ultra Deep Field (UDF)12]. This in turn confirms that the majority of currently known z ≃ 6-8 galaxies are expected to be the seeds of present-day galaxies which are more massive than L* spirals. We also discuss the properties of the Local Group progenitors at these early epochs, extending down to absolute magnitudes MUV ≃ -13. The most massive MW/M31 progenitors at z ≃ 7 have stellar masses M* ≃ 107.5-8 M⊙, stellar metallicities Z* ˜ 3-6 per cent Z⊙, and predicted observed UV continuum slopes β ≃ -2.4 to -2.5.

Capturing microscopic features of bone remodeling into a macroscopic model based on biological rationales of bone adaptation.

PubMed

Kim, Young Kwan; Kameo, Yoshitaka; Tanaka, Sakae; Adachi, Taiji

2017-10-01

To understand Wolff's law, bone adaptation by remodeling at the cellular and tissue levels has been discussed extensively through experimental and simulation studies. For the clinical application of a bone remodeling simulation, it is significant to establish a macroscopic model that incorporates clarified microscopic mechanisms. In this study, we proposed novel macroscopic models based on the microscopic mechanism of osteocytic mechanosensing, in which the flow of fluid in the lacuno-canalicular porosity generated by fluid pressure gradients plays an important role, and theoretically evaluated the proposed models, taking biological rationales of bone adaptation into account. The proposed models were categorized into two groups according to whether the remodeling equilibrium state was defined globally or locally, i.e., the global or local uniformity models. Each remodeling stimulus in the proposed models was quantitatively evaluated through image-based finite element analyses of a swine cancellous bone, according to two introduced criteria associated with the trabecular volume and orientation at remodeling equilibrium based on biological rationales. The evaluation suggested that nonuniformity of the mean stress gradient in the local uniformity model, one of the proposed stimuli, has high validity. Furthermore, the adaptive potential of each stimulus was discussed based on spatial distribution of a remodeling stimulus on the trabecular surface. The theoretical consideration of a remodeling stimulus based on biological rationales of bone adaptation would contribute to the establishment of a clinically applicable and reliable simulation model of bone remodeling.

Face aging effect simulation model based on multilayer representation and shearlet transform

NASA Astrophysics Data System (ADS)

Li, Yuancheng; Li, Yan

2017-09-01

In order to extract detailed facial features, we build a face aging effect simulation model based on multilayer representation and shearlet transform. The face is divided into three layers: the global layer of the face, the local features layer, and texture layer, which separately establishes the aging model. First, the training samples are classified according to different age groups, and we use active appearance model (AAM) at the global level to obtain facial features. The regression equations of shape and texture with age are obtained by fitting the support vector machine regression, which is based on the radial basis function. We use AAM to simulate the aging of facial organs. Then, for the texture detail layer, we acquire the significant high-frequency characteristic components of the face by using the multiscale shearlet transform. Finally, we get the last simulated aging images of the human face by the fusion algorithm. Experiments are carried out on the FG-NET dataset, and the experimental results show that the simulated face images have less differences from the original image and have a good face aging simulation effect.

A Universe of ultradiffuse galaxies: theoretical predictions from ΛCDM simulations

NASA Astrophysics Data System (ADS)

Rong, Yu; Guo, Qi; Gao, Liang; Liao, Shihong; Xie, Lizhi; Puzia, Thomas H.; Sun, Shuangpeng; Pan, Jun

2017-10-01

A particular population of galaxies have drawn much interest recently, which are as faint as typical dwarf galaxies but have the sizes as large as L* galaxies, the so called ultradiffuse galaxies (UDGs). The lack of tidal features of UDGs in dense environments suggests that their host haloes are perhaps as massive as that of the Milky Way. On the other hand, galaxy formation efficiency should be much higher in the haloes of such masses. Here, we use the model galaxy catalogue generated by populating two large simulations: the Millennium-II cosmological simulation and Phoenix simulations of nine big clusters with the semi-analytic galaxy formation model. This model reproduces remarkably well the observed properties of UDGs in the nearby clusters, including the abundance, profile, colour and morphology, etc. We search for UDG candidates using the public data and find two UDG candidates in our Local Group and 23 in our Local Volume, in excellent agreement with the model predictions. We demonstrate that UDGs are genuine dwarf galaxies, formed in the haloes of ˜1010 M⊙. It is the combination of the late formation time and high spins of the host haloes that results in the spatially extended feature of this particular population. The lack of tidal disruption features of UDGs in clusters can also be explained by their late infall-time.

On simulation of local fluxes in molecular junctions

NASA Astrophysics Data System (ADS)

Cabra, Gabriel; Jensen, Anders; Galperin, Michael

2018-05-01

We present a pedagogical review of the current density simulation in molecular junction models indicating its advantages and deficiencies in analysis of local junction transport characteristics. In particular, we argue that current density is a universal tool which provides more information than traditionally simulated bond currents, especially when discussing inelastic processes. However, current density simulations are sensitive to the choice of basis and electronic structure method. We note that while discussing the local current conservation in junctions, one has to account for the source term caused by the open character of the system and intra-molecular interactions. Our considerations are illustrated with numerical simulations of a benzenedithiol molecular junction.

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

Kraljic, David; Sarkar, Subir, E-mail: David.Kraljic@physics.ox.ac.uk, E-mail: Subir.Sarkar@physics.ox.ac.uk

It has been observed [1,2] that the locally measured Hubble parameter converges quickest to the background value and the dipole structure of the velocity field is smallest in the reference frame of the Local Group of galaxies. We study the statistical properties of Lorentz boosts with respect to the Cosmic Microwave Background frame which make the Hubble flow look most uniform around a particular observer. We use a very large N-Body simulation to extract the dependence of the boost velocities on the local environment such as underdensities, overdensities, and bulk flows. We find that the observation [1,2] is not unexpectedmore » if we are located in an underdensity, which is indeed the case for our position in the universe. The amplitude of the measured boost velocity for our location is consistent with the expectation in the standard cosmology.« less

Structural, microstructural and vibrational analyses of the monoclinic tungstate BiLuWO{sub 6}

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

Ait Ahsaine, H.; Taoufyq, A.; Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université de Toulon, BP 20132, 83957 La Garde Cedex

2014-10-15

The bismuth lutetium tungstate phase BiLuWO{sub 6} has been prepared using a solid state route with stoichiometric mixtures of oxide precursors. The obtained polycrystalline phase has been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Raman spectroscopy. In the first step, the crystal structure has been refined using Rietveld method: the crystal cell was resolved using monoclinic system (parameters a, b, c, β) with space group A2/m. SEM images showed the presence of large crystallites with a constant local nominal composition (BiLuW). TEM analyses showed that the actual local structure could be better representedmore » by a superlattice (a, 2b, c, β) associated with space groups P2 or P2/m. The Raman spectroscopy showed the presence of vibrational bands similar to those observed in the compounds BiREWO{sub 6} with RE=Y, Gd, Nd. However, these vibrational bands were characterized by large full width at half maximum, probably resulting from the long range Bi/Lu disorder and local WO{sub 6} octahedron distortions in the structure. - Graphical abstract: The average structure of BiLuWO{sub 6} determined from X-ray diffraction data can be represented by A2/m space group. Experimental Electron Diffraction patterns along the [0vw] zone axes of the monoclinic structure and associated simulated patterns show the existence of a monoclinic superstructure with space group P2 or P2/m. - Highlights: • A new monoclinic BiLuWO{sub 6} phase has been elaborated from solid-state reaction. • The space group of the monoclinic disordered average structure should be A2/m. • Transmission electron microscopy leads to a superlattice with P2/m space group. • Raman spectroscopy suggests existence of local disorder.« less

A Simulation Study of a Radiofrequency Localization System for Tracking Patient Motion in Radiotherapy.

PubMed

Ostyn, Mark; Kim, Siyong; Yeo, Woon-Hong

2016-04-13

One of the most widely used tools in cancer treatment is external beam radiotherapy. However, the major risk involved in radiotherapy is excess radiation dose to healthy tissue, exacerbated by patient motion. Here, we present a simulation study of a potential radiofrequency (RF) localization system designed to track intrafraction motion (target motion during the radiation treatment). This system includes skin-wearable RF beacons and an external tracking system. We develop an analytical model for direction of arrival measurement with radio frequencies (GHz range) for use in a localization estimate. We use a Monte Carlo simulation to investigate the relationship between a localization estimate and angular resolution of sensors (signal receivers) in a simulated room. The results indicate that the external sensor needs an angular resolution of about 0.03 degrees to achieve millimeter-level localization accuracy in a treatment room. This fundamental study of a novel RF localization system offers the groundwork to design a radiotherapy-compatible patient positioning system for active motion compensation.

Meso-macro simulation of the woven fabric local deformation in draping

NASA Astrophysics Data System (ADS)

Iwata, Akira; Inoue, Takuya; Naouar, Naim; Boisse, Philippe; Lomov, Stepan V.

2018-05-01

The paper reports results of such combined meso-macro modelling for a plain weave carbon fabric with spread yarns. The boundary conditions for a local meso-model are taken from the macro draping simulation. The fabric geometry is modelled with WiseTex and transferred to the finite element package. A hyperelastic constitutive model for the yarns (Charmetant - Boisse) is used in the meso-modelling; the model parameters are identified and validated in independent tension, shear, compaction and bending tests of the yarn and the fabric. The simulation reproduces local yarn slippage and buckling, for example, the yarn distortion on the 3D mould corner (see the figure). The simulations are compared with the local fabric distortions observed during draping experiments.

The transformation and quenching of simulated gas-rich dwarf satellites within a group environment

NASA Astrophysics Data System (ADS)

Yozin, C.; Bekki, K.

2015-10-01

The underlying mechanisms driving the quenching of dwarf-mass satellite galaxies remain poorly constrained, but recent studies suggest they are particularly inefficient for those satellites with stellar mass 109 M⊙. We investigate the characteristic evolution of these systems with chemodynamical simulations and idealized models of their tidal/hydrodynamic interactions within the 10^{13-13.5}-M⊙ group-mass hosts in which they are preferentially quenched. Our fiducial simulations highlight the role played by secular star formation and stellar bars, and demonstrate a transition from a gas-rich to passive, H I-deficient state (i.e. ΔSFR ≤ -1, def_{H I}} ≥ 0.5) within 6 Gyr of first infall. Furthermore, in the 8-10 Gyr in which these systems have typically been resident within group hosts, the bulge-to-total ratio of an initially bulgeless disc can increase to 0.3 < B/T < 0.4, its specific angular momentum λR reduce to ˜0.5, and strong bisymmetries formed. Ultimately, this scenario yields satellites resembling dwarf S0s, a result that holds for a variety of infall inclinations/harassments albeit with broad scatter. The key assumptions here lie in the rapid removal of the satellite's gaseous halo upon virial infall, and the satellite's local intragroup medium density being defined by the host's spherically averaged profile. We demonstrate how quenching can be greatly enhanced if the satellite lies in an overdensity, consistent with recent cosmological-scale simulations but contrasting with observationally inferred quenching mechanisms/time-scales; an appraisal of these results with respect to the apparent preferential formation of dS0s/S0s in groups is also given.

Satellite dwarf galaxies in a hierarchical universe: the prevalence of dwarf-dwarf major mergers

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

Deason, Alis; Wetzel, Andrew; Garrison-Kimmel, Shea, E-mail: alis@ucolick.org

Mergers are a common phenomenon in hierarchical structure formation, especially for massive galaxies and clusters, but their importance for dwarf galaxies in the Local Group remains poorly understood. We investigate the frequency of major mergers between dwarf galaxies in the Local Group using the ELVIS suite of cosmological zoom-in dissipationless simulations of Milky Way- and M31-like host halos. We find that ∼10% of satellite dwarf galaxies with M {sub star} > 10{sup 6} M {sub ☉} that are within the host virial radius experienced a major merger of stellar mass ratio closer than 0.1 since z = 1, with amore » lower fraction for lower mass dwarf galaxies. Recent merger remnants are biased toward larger radial distance and more recent virial infall times, because most recent mergers occurred shortly before crossing within the virial radius of the host halo. Satellite-satellite mergers also occur within the host halo after virial infall, catalyzed by the large fraction of dwarf galaxies that fell in as part of a group. The merger fraction doubles for dwarf galaxies outside of the host virial radius, so the most distant dwarf galaxies in the Local Group are the most likely to have experienced a recent major merger. We discuss the implications of these results on observable dwarf merger remnants, their star formation histories, the gas content of mergers, and massive black holes in dwarf galaxies.« less

Epidemics and dimensionality in hierarchical networks

NASA Astrophysics Data System (ADS)

Zheng, Da-Fang; Hui, P. M.; Trimper, Steffen; Zheng, Bo

2005-07-01

Epidemiological processes are studied within a recently proposed hierarchical network model using the susceptible-infected-refractory dynamics of an epidemic. Within the network model, a population may be characterized by H independent hierarchies or dimensions, each of which consists of groupings of individuals into layers of subgroups. Detailed numerical simulations reveal that for H>1, global spreading results regardless of the degree of homophily of the individuals forming a social circle. For H=1, a transition from global to local spread occurs as the population becomes decomposed into increasingly homophilous groups. Multiple dimensions in classifying individuals (nodes) thus make a society (computer network) highly susceptible to large-scale outbreaks of infectious diseases (viruses).

Heat Transfer and Fluid Transport of Supercritical CO 2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

DOE PAGES

Zhang, Le; Luo, Feng; Xu, Ruina; ...

2014-12-31

The heat transfer and fluid transport of supercritical CO 2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity ofmore » volumetric heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.« less

Parametric models to compute tryptophan fluorescence wavelengths from classical protein simulations.

PubMed

Lopez, Alvaro J; Martínez, Leandro

2018-02-26

Fluorescence spectroscopy is an important method to study protein conformational dynamics and solvation structures. Tryptophan (Trp) residues are the most important and practical intrinsic probes for protein fluorescence due to the variability of their fluorescence wavelengths: Trp residues emit in wavelengths ranging from 308 to 360 nm depending on the local molecular environment. Fluorescence involves electronic transitions, thus its computational modeling is a challenging task. We show that it is possible to predict the wavelength of emission of a Trp residue from classical molecular dynamics simulations by computing the solvent-accessible surface area or the electrostatic interaction between the indole group and the rest of the system. Linear parametric models are obtained to predict the maximum emission wavelengths with standard errors of the order 5 nm. In a set of 19 proteins with emission wavelengths ranging from 308 to 352 nm, the best model predicts the maximum wavelength of emission with a standard error of 4.89 nm and a quadratic Pearson correlation coefficient of 0.81. These models can be used for the interpretation of fluorescence spectra of proteins with multiple Trp residues, or for which local Trp environmental variability exists and can be probed by classical molecular dynamics simulations. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Radiation Modeling in Shock-Tubes and Entry Flows

DTIC Science & Technology

2009-09-01

the MSRO surface , the local spherical coordinate system with a normal n is entered. Radiation Modeling in Shock-Tubes and Entry Flows 10 - 30 RTO...for each simulated photon group. Radiation Modeling in Shock-Tubes and Entry Flows 10 - 52 RTO-EN-AVT-162 There are two algorithms. In the first...Tubes and Entry Flows RTO-EN-AVT-162 10 - 57 all surfaces of the spatial finite-difference mesh should be calculated. This is illustrated in Figure

Local Infrasound Variability Related to In Situ Atmospheric Observation

NASA Astrophysics Data System (ADS)

Kim, Keehoon; Rodgers, Arthur; Seastrand, Douglas

2018-04-01

Local infrasound is widely used to constrain source parameters of near-surface events (e.g., chemical explosions and volcanic eruptions). While atmospheric conditions are critical to infrasound propagation and source parameter inversion, local atmospheric variability is often ignored by assuming homogeneous atmospheres, and their impact on the source inversion uncertainty has never been accounted for due to the lack of quantitative understanding of infrasound variability. We investigate atmospheric impacts on local infrasound propagation by repeated explosion experiments with a dense acoustic network and in situ atmospheric measurement. We perform full 3-D waveform simulations with local atmospheric data and numerical weather forecast model to quantify atmosphere-dependent infrasound variability and address the advantage and restriction of local weather data/numerical weather model for sound propagation simulation. Numerical simulations with stochastic atmosphere models also showed nonnegligible influence of atmospheric heterogeneity on infrasound amplitude, suggesting an important role of local turbulence.

Local and national laparoscopic skill competitions: residents' opinions and impact on adoption of simulation-based training.

PubMed

McCreery, Greig L; El-Beheiry, Mostafa; Schlachta, Christopher M

2017-11-01

Dedicated practice using laparoscopic simulators improves operative performance. Yet, voluntary utilization is minimal. We hypothesized that skill competition between peers, at the local and national level, positively influences residents' use of laparoscopic simulators. A web-based survey evaluated the relationship between Canadian General Surgery residents' use of laparoscopic simulation and participation in competition. Secondary outcomes assessed attitudes regarding simulation training, factors limiting use, and associations between competition level and usage. One hundred ninety (23%) of 826 potential participants responded. Eighty-three percent rated their laparoscopic abilities as novice or intermediate. More than 70% agreed that use of simulation practice improves intra-operative performance, and should be a mandatory component of training. However, 58% employed simulator practice less than once per month, and 18% never used a simulator. Sixty-five percent engaged in simulator training for 5 h or less over the preceding 6 months. Seventy-three percent had participated in laparoscopic skill competition. Of those, 51% agreed that competition was a motivation for simulation practice. No association was found between those with competition experience and simulator use. However, 83% of those who had competed nationally reported >5 h of simulator use in the previous 6 months compared to those with no competition experience (26%), local competition (40%), and local national-qualifying competition (23%) (p < 0.001). This study does not support the hypothesis that competition alone universally increases voluntary use of simulation-based training, with only the minority of individuals competing at the national level demonstrated significantly higher simulation use. However, simulation training was perceived as a valuable exercise. Lack of time and access to simulators, as opposed to lack of interest, were the most commonly reported to limited use.

Automated patient identification and localization error detection using 2-dimensional to 3-dimensional registration of kilovoltage x-ray setup images.

PubMed

Lamb, James M; Agazaryan, Nzhde; Low, Daniel A

2013-10-01

To determine whether kilovoltage x-ray projection radiation therapy setup images could be used to perform patient identification and detect gross errors in patient setup using a computer algorithm. Three patient cohorts treated using a commercially available image guided radiation therapy (IGRT) system that uses 2-dimensional to 3-dimensional (2D-3D) image registration were retrospectively analyzed: a group of 100 cranial radiation therapy patients, a group of 100 prostate cancer patients, and a group of 83 patients treated for spinal lesions. The setup images were acquired using fixed in-room kilovoltage imaging systems. In the prostate and cranial patient groups, localizations using image registration were performed between computed tomography (CT) simulation images from radiation therapy planning and setup x-ray images corresponding both to the same patient and to different patients. For the spinal patients, localizations were performed to the correct vertebral body, and to an adjacent vertebral body, using planning CTs and setup x-ray images from the same patient. An image similarity measure used by the IGRT system image registration algorithm was extracted from the IGRT system log files and evaluated as a discriminant for error detection. A threshold value of the similarity measure could be chosen to separate correct and incorrect patient matches and correct and incorrect vertebral body localizations with excellent accuracy for these patient cohorts. A 10-fold cross-validation using linear discriminant analysis yielded misclassification probabilities of 0.000, 0.0045, and 0.014 for the cranial, prostate, and spinal cases, respectively. An automated measure of the image similarity between x-ray setup images and corresponding planning CT images could be used to perform automated patient identification and detection of localization errors in radiation therapy treatments. Copyright © 2013 Elsevier Inc. All rights reserved.

Local reionization histories with a merger tree of the HII regions

NASA Astrophysics Data System (ADS)

Chardin, Jonathan; Aubert, Dominique; Ocvirk, Pierre

2014-08-01

Aims: We investigate simple properties of the initial stage of the reionization process around progenitors of galaxies, such as the extent of the initial HII region before its fusion with the UV background, and the duration of its propagation. Methods: We used a set of four reionization simulations with different resolutions and ionizing source prescriptions. By using a merger tree of the HII regions we compiled a catalog of the HII region properties. When the ionized regions undergo a major-merger event, we considered that they belong to the global UV background. From the lifetime of the region and from their volume until this moment we drew typical local reionization histories as a function of time and investigated the relation between these histories and the halo mass progenitors of the regions. We then used an average mass accretion history model (AMAH) to extrapolate the halo mass inside the region from high z to z = 0 to predict the past reionization histories of galaxies we see today. Results: We found that the later an HII region appears during the reionization period, the shorter their related lifetime is and the smaller their volume before they merge with the global UV background. Quantitatively, the duration and extent of the initial growth of an HII region is strongly dependent on the mass of the inner halo and can be as long as ~50% of the reionization epoch. We found that the more massive a halo is today, the earlier it appears and the larger is the extension and the longer the propagation duration of its HII region. Quantitative predictions differ depending on the box size or the source model: small simulated volumes are affected by proximity effects between HII regions, and halo-based source models predict smaller regions and slower I-front expansion than models that use star particles as ionizing sources. Applying this extrapolation to Milky Way-type halos leads to a maximal extent of 1.1 Mpc/h for the initial HII region that established itself in ~150-200 ± 20 Myr. This is consistent with the prediction made using constrained Local Group simulations. For halos with masses similar to those of the Local Group (MW + M31), our result suggests that statistically it has not been influenced by an external front coming from a Virgo-like cluster.

Frictional behavior of large displacement experimental faults

USGS Publications Warehouse

Beeler, N.M.; Tullis, T.E.; Blanpied, M.L.; Weeks, J.D.

1996-01-01

The coefficient of friction and velocity dependence of friction of initially bare surfaces and 1-mm-thick simulated fault gouges (400 mm at 25??C and 25 MPa normal stress. Steady state negative friction velocity dependence and a steady state fault zone microstructure are achieved after ???18 mm displacement, and an approximately constant strength is reached after a few tens of millimeters of sliding on initially bare surfaces. Simulated fault gouges show a large but systematic variation of friction, velocity dependence of friction, dilatancy, and degree of localization with displacement. At short displacement (<10 mm), simulated gouge is strong, velocity strengthening and changes in sliding velocity are accompanied by relatively large changes in dilatancy rate. With continued displacement, simulated gouges become progressively weaker and less velocity strengthening, the velocity dependence of dilatancy rate decreases, and deformation becomes localized into a narrow basal shear which at its most localized is observed to be velocity weakening. With subsequent displacement, the fault restrengthens, returns to velocity strengthening, or to velocity neutral, the velocity dependence of dilatancy rate becomes larger, and deformation becomes distributed. Correlation of friction, velocity dependence of friction and of dilatancy rate, and degree of localization at all displacements in simulated gouge suggest that all quantities are interrelated. The observations do not distinguish the independent variables but suggest that the degree of localization is controlled by the fault strength, not by the friction velocity dependence. The friction velocity dependence and velocity dependence of dilatancy rate can be used as qualitative measures of the degree of localization in simulated gouge, in agreement with previous studies. Theory equating the friction velocity dependence of simulated gouge to the sum of the friction velocity dependence of bare surfaces and the velocity dependence of dilatancy rate of simulated gouge fails to quantitatively account for the experimental observations.

Efficacy of computer-based video and simulation in ultrasound-guided regional anesthesia training.

PubMed

Woodworth, Glenn E; Chen, Elliza M; Horn, Jean-Louis E; Aziz, Michael F

2014-05-01

To determine the effectiveness of a short educational video and simulation on improvement of ultrasound (US) image acquisition and interpretation skills. Prospective, randomized study. University medical center. 28 anesthesia residents and community anesthesiologists with varied ultrasound experience were randomized to teaching video with interactive simulation or sham video groups. Participants were assessed preintervention and postintervention on their ability to identify the sciatic nerve and other anatomic structures on static US images, as well as their ability to locate the sciatic nerve with US on live models. Pretest written test scores correlated with reported US block experience (Kendall tau rank r = 0.47) and with live US scanning scores (r = 0.64). The teaching video and simulation significantly improved scores on the written examination (P < 0.001); however, they did not significantly improve live US scanning skills. A short educational video with interactive simulation significantly improved knowledge of US anatomy, but failed to improve hands-on performance of US scanning to localize the nerve. Copyright © 2014 Elsevier Inc. All rights reserved.

Constraining the Nature of Dark Matter with the Star-formation History of the Faintest Local Group Dwarf Galaxy Satellites

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

Chau, Alice; Mayer, Lucio; Governato, Fabio

Λ warm dark matter (ΛWDM), realized by collisionless particles of 1–3 keV, has been proposed as an alternative scenario to Λ-Cold-Dark Matter (ΛCDM) for the dwarf galaxy scale discrepancies. We present an approach to test the viability of such WDM models using star-formation histories (SFHs) of the dwarf spheroidal galaxies (dSphs) in the Local Group. We compare their high-time-resolution SFHs with the collapse redshift of their dark halos in CDM and WDM. Collapse redshift is inferred after determining the subhalo infall mass. This is based on the dwarf current mass inferred from stellar kinematics, combined with cosmological simulation results onmore » subhalo evolution. WDM subhalos close to the filtering mass scale, forming significantly later than CDM, are the most difficult to reconcile with early truncation of star formation ( z ≥ 3). The ultra-faint dwarfs (UFDs) provide the most stringent constraints. Using six UFDs and eight classical dSphs, we show that a 1 keV particle is strongly disfavored, consistently with other reported methods. Excluding other models is only hinted for a few UFDs. Other UFDs for which the lack of robust constraints on halo mass prevents us from carrying out our analysis rigorously, show a very early onset of star formation that will strengthen the constraints delivered by our method in the future. We discuss the various caveats, notably the low number of dwarfs with accurately determined SFHs and the uncertainties when determining the subhalo infall mass, most notably the baryonic physics. Our preliminary analysis may serve as a pathfinder for future investigations that will combine accurate SFHs for local dwarfs with direct analysis of WDM simulations with baryons.« less

Taking care of business in a flash: constraining the time-scale for low-mass satellite quenching with ELVIS

NASA Astrophysics Data System (ADS)

Fillingham, Sean P.; Cooper, Michael C.; Wheeler, Coral; Garrison-Kimmel, Shea; Boylan-Kolchin, Michael; Bullock, James S.

2015-12-01

The vast majority of dwarf satellites orbiting the Milky Way and M31 are quenched, while comparable galaxies in the field are gas rich and star forming. Assuming that this dichotomy is driven by environmental quenching, we use the Exploring the Local Volume in Simulations (ELVIS) suite of N-body simulations to constrain the characteristic time-scale upon which satellites must quench following infall into the virial volumes of their hosts. The high satellite quenched fraction observed in the Local Group demands an extremely short quenching time-scale (˜2 Gyr) for dwarf satellites in the mass range M⋆ ˜ 106-108 M⊙. This quenching time-scale is significantly shorter than that required to explain the quenched fraction of more massive satellites (˜8 Gyr), both in the Local Group and in more massive host haloes, suggesting a dramatic change in the dominant satellite quenching mechanism at M⋆ ≲ 108 M⊙. Combining our work with the results of complementary analyses in the literature, we conclude that the suppression of star formation in massive satellites (M⋆ ˜ 108-1011 M⊙) is broadly consistent with being driven by starvation, such that the satellite quenching time-scale corresponds to the cold gas depletion time. Below a critical stellar mass scale of ˜108 M⊙, however, the required quenching times are much shorter than the expected cold gas depletion times. Instead, quenching must act on a time-scale comparable to the dynamical time of the host halo. We posit that ram-pressure stripping can naturally explain this behaviour, with the critical mass (of M⋆ ˜ 108 M⊙) corresponding to haloes with gravitational restoring forces that are too weak to overcome the drag force encountered when moving through an extended, hot circumgalactic medium.

Rapid Induction of Multiple Terpenoid Groups by Ponderosa Pine in Response to Bark Beetle-Associated Fungi.

PubMed

Keefover-Ring, Ken; Trowbridge, Amy; Mason, Charles J; Raffa, Kenneth F

2016-01-01

Ponderosa pine (Pinus ponderosa) is a major and widely distributed component of conifer biomes in western North America and provides substantial ecological and economic benefits. This tree is exposed to several tree-killing bark beetle-microbial complexes, including the mountain pine beetle (Dendroctonus ponderosae) and the phytopathogenic fungus Grosmannia clavigera that it vectors, which are among the most important. Induced responses play a crucial role in conifer defenses, yet these have not been reported in ponderosa pine. We compared concentrations of terpenes and a phenylpropanoid, two phytochemical classes with strong effects against bark beetles and their symbionts, in constitutive phloem tissue and in tissue following mechanical wounding or simulated D. ponderosae attack (mechanical wounding plus inoculation with G. clavigera). We also tested whether potential induced responses were localized or systemic. Ponderosa pines showed pronounced induced defenses to inoculation, increasing their total phloem concentrations of monoterpenes 22.3-fold, sesquiterpenes 56.7-fold, and diterpenes 34.8-fold within 17 days. In contrast, responses to mechanical wounding alone were only 5.2, 11.3, and 7.7-fold, respectively. Likewise, the phenylpropanoid estragole (4-allyanisole) rose to 19.1-fold constitutive levels after simulated attack but only 4.4-fold after mechanical wounding. Overall, we found no evidence of systemic induction after 17 days, which spans most of this herbivore's narrow peak attack period, as significant quantitative and compositional changes within and between terpenoid groups were localized to the wound site. Implications to the less frequent exploitation of ponderosa than lodgepole pine by D. ponderosae, and potential advantages of rapid localized over long-term systemic responses in this system, are discussed.

Near-field limits on the role of faint galaxies in cosmic reionization

NASA Astrophysics Data System (ADS)

Boylan-Kolchin, Michael; Bullock, James S.; Garrison-Kimmel, Shea

2014-09-01

Reionizing the Universe with galaxies appears to require significant star formation in low-mass haloes at early times, while local dwarf galaxy counts tell us that star formation has been minimal in small haloes around us today. Using simple models and the ELVIS simulation suite, we show that reionization scenarios requiring appreciable star formation in haloes with Mvir ≈ 108 M⊙ at z = 8 are in serious tension with galaxy counts in the Local Group. This tension originates from the seemingly inescapable conclusion that 30-60 haloes with Mvir > 108 M⊙ at z = 8 will survive to be distinct bound satellites of the Milky Way at z = 0. Reionization models requiring star formation in such haloes will produce dozens of bound galaxies in the Milky Way's virial volume today (and 100-200 throughout the Local Group), each with ≳105 M⊙ of old stars (≳13 Gyr). This exceeds the stellar mass function of classical Milky Way satellites today, even without allowing for the (significant) post-reionization star formation observed in these galaxies. One possible implication of these findings is that star formation became sharply inefficient in haloes smaller than ˜109 M⊙ at early times, implying that the high-z luminosity function must break at magnitudes brighter than is often assumed (at MUV ≃ -14). Our results suggest that the James Webb Space Telescope (and possibly even the Hubble Space Telescope with the Frontier Fields) may realistically detect the faintest galaxies that drive reionization. It remains to be seen how these results can be reconciled with the most sophisticated simulations of early galaxy formation at present, which predict substantial star formation in Mvir ˜ 108 M⊙ haloes during the epoch of reionization.

Simulations Test Impact Of Education, Employment, And Income Improvements On Minority Patients With Mental Illness

PubMed Central

Alegria, Margarita; Drake, Robert E.; Kang, Hyeon-Ah; Metcalfe, Justin; Liu, Jingchen; DiMarzio, Karissa; Ali, Naomi

2017-01-01

Social determinants of health, such as poverty and minority background, severely disadvantage many people with mental disorders. A variety of innovative federal, state, and local programs have combined social services with mental health interventions. To explore the potential effects of such supports for addressing poverty and disadvantage on mental health outcomes, we simulated improvements in three social determinants—education, employment, and income. We used two large data sets: one from the National Institute of Mental Health that contained information about people with common mental disorders such as anxiety and depression, and another from the Social Security Administration that contained information about people who were disabled due to severe mental disorders such as schizophrenia and bipolar disorder. Our simulations showed that increasing employment was significantly correlated with improvements in mental health outcomes, while increasing education and income produced weak or nonsignificant correlations. In general, minority groups as well as the majority group of non-Latino whites improved in the desired outcomes. We recommend that health policy leaders, state and federal agencies, and insurers provide evidence-based employment services as a standard treatment for people with mental disorders. PMID:28583960

Simulations Test Impact Of Education, Employment, And Income Improvements On Minority Patients With Mental Illness.

PubMed

Alegria, Margarita; Drake, Robert E; Kang, Hyeon-Ah; Metcalfe, Justin; Liu, Jingchen; DiMarzio, Karissa; Ali, Naomi

2017-06-01

Social determinants of health, such as poverty and minority background, severely disadvantage many people with mental disorders. A variety of innovative federal, state, and local programs have combined social services with mental health interventions. To explore the potential effects of such supports for addressing poverty and disadvantage on mental health outcomes, we simulated improvements in three social determinants-education, employment, and income. We used two large data sets: one from the National Institute of Mental Health that contained information about people with common mental disorders such as anxiety and depression, and another from the Social Security Administration that contained information about people who were disabled due to severe mental disorders such as schizophrenia and bipolar disorder. Our simulations showed that increasing employment was significantly correlated with improvements in mental health outcomes, while increasing education and income produced weak or nonsignificant correlations. In general, minority groups as well as the majority group of non-Latino whites improved in the desired outcomes. We recommend that health policy leaders, state and federal agencies, and insurers provide evidence-based employment services as a standard treatment for people with mental disorders. Project HOPE—The People-to-People Health Foundation, Inc.

Time-localized frequency analysis of ultrasonic guided waves for nondestructive testing

NASA Astrophysics Data System (ADS)

Shin, Hyeon Jae; Song, Sung-Jin

2000-05-01

A time-localized frequency (TLF) analysis is employed for the guided wave mode identification and improved guided wave applications. For the analysis of time-localized frequency contents of digitized ultrasonic signals, TLF analysis consists of splitting the time domain signal into overlapping segments, weighting each with the hanning window, and forming the columns of discrete Fourier transforms. The result is presented by a frequency versus time domain diagram showing frequency variation along the signal arrival time. For the demonstration of the utility of TLF analysis, an experimental group velocity dispersion pattern obtained by TLF analysis is compared with the dispersion diagram obtained by theory of elasticity. Sample piping is carbon steel piping that is used for the transportation of natural gas underground. Guided wave propagation characteristic on the piping is considered with TLF analysis and wave structure concepts. TLF analysis is used for the detection of simulated corrosion defects and the assessment of weld joint using ultrasonic guided waves. TLF analysis has revealed that the difficulty of mode identification in multi-mode propagation could be overcome. Group velocity dispersion pattern obtained by TLF analysis agrees well with theoretical results.

Penetration of HIV-1 Tat47-57 into PC/PE Bilayers Assessed by MD Simulation and X-ray Scattering.

PubMed

Neale, Chris; Huang, Kun; García, Angel E; Tristram-Nagle, Stephanie

2015-09-22

The interactions of the basic, cell-penetrating region (Y47GRKKRRQRRR57) of the HIV-1 Tat protein with dioleoylphosphatidylcholine (DOPC) bilayers were previously assessed by comparing experimental X-ray diffuse scattering with atomistic molecular dynamics simulations. Here, we extend this investigation by evaluating the influence of phosphatidylethanolamine (PE) lipids. Using experimental bilayer form factors derivedfrom X-ray diffuse scattering data as a guide, our simulations indicate that Tat peptides localize close to the carbonyl-glycerol group in the headgroup region of bilayers composed of either DOPC or DOPC:DOPE (1:1) lipid. Our results also suggest that Tat peptides may more frequently insert into the hydrophobic core of bilayers composed of PC:PE (1:1) lipids than into bilayers composed entirely of PC lipids. PE lipids may facilitate peptide translocation across a lipid bilayer by stabilizing intermediate states in which hydrated peptides span the bilayer.

Middle school students' earthquake content and preparedness knowledge - A mixed method study

NASA Astrophysics Data System (ADS)

Henson, Harvey, Jr.

The purpose of this study was to assess the effect of earthquake instruction on students' earthquake content and preparedness for earthquakes. This study used an innovative direct instruction on earthquake science content and concepts with an inquiry-based group activity on earthquake safety followed by an earthquake simulation and preparedness video to help middle school students understand and prepare for the regional seismic threat. A convenience sample of 384 sixth and seventh grade students at two small middle schools in southern Illinois was used in this study. Qualitative information was gathered using open-ended survey questions, classroom observations, and semi-structured interviews. Quantitative data were collected using a 21 item content questionnaire administered to test students' General Earthquake Knowledge, Local Earthquake Knowledge, and Earthquake Preparedness Knowledge before and after instruction. A pre-test and post-test survey Likert scale with 21 items was used to collect students' perceptions and attitudes. Qualitative data analysis included quantification of student responses to the open-ended questions and thematic analysis of observation notes and interview transcripts. Quantitative datasets were analyzed using descriptive and inferential statistical methods, including t tests to evaluate the differences in means scores between paired groups before and after interventions and one-way analysis of variance (ANOVA) to test for differences between mean scores of the comparison groups. Significant mean differences between groups were further examined using a Dunnett's C post hoc statistical analysis. Integration and interpretation of the qualitative and quantitative results of the study revealed a significant increase in general, local and preparedness earthquake knowledge among middle school students after the interventions. The findings specifically indicated that these students felt most aware and prepared for an earthquake after an intervention that consisted of an inquiry-based group discussion on safety, earthquake content presentation and earthquake simulation video presentation on preparedness. Variations of the intervention, including no intervention, were not as effective in significantly increasing students' conceptual learning of earthquake knowledge.

Numerical simulation of inertial alfven waves to study localized structures and spectral index in auroral region

NASA Astrophysics Data System (ADS)

Jatav, Bheem Singh

2018-06-01

In the present paper, the numerical simulation of Inertial Alfven wave (IAW) in low-β plasma applicable to the auroral region at 1700 km was studied. It leads to the formation of localized structures when the nonlinearity arises due to ponderomotive effect and Joule heating. The effect of perturbation and magnitude of pump IAW, formed the localized structures of magnetic field, has been studied. The formed localized structures at different times and average spectral index scaling of power spectrum have been observed. Results obtained from simulation reveal that spectrum steepens with power law index ˜ -3.5 for shorter wavelength. These localized structures could be a source of particle acceleration and heating by pump IAW in low- β plasma.

Evaluation of tumor localization in respiration motion-corrected cone-beam CT: Prospective study in lung

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

Dzyubak, Oleksandr; Kincaid, Russell; Hertanto, Agung

Purpose: Target localization accuracy of cone-beam CT (CBCT) images used in radiation treatment of respiratory disease sites is affected by motion artifacts (blurring and streaking). The authors have previously reported on a method of respiratory motion correction in thoracic CBCT at end expiration (EE). The previous retrospective study was limited to examination of reducing motion artifacts in a small number of patient cases. They report here on a prospective study in a larger group of lung cancer patients to evaluate respiratory motion-corrected (RMC)-CBCT ability to improve lung tumor localization accuracy and reduce motion artifacts in Linac-mounted CBCT images. A secondmore » study goal examines whether the motion correction derived from a respiration-correlated CT (RCCT) at simulation yields similar tumor localization accuracy at treatment. Methods: In an IRB-approved study, 19 lung cancer patients (22 tumors) received a RCCT at simulation, and on one treatment day received a RCCT, a respiratory-gated CBCT at end expiration, and a 1-min CBCT. A respiration monitor of abdominal displacement was used during all scans. In addition to a CBCT reconstruction without motion correction, the motion correction method was applied to the same 1-min scan. Projection images were sorted into ten bins based on abdominal displacement, and each bin was reconstructed to produce ten intermediate CBCT images. Each intermediate CBCT was deformed to the end expiration state using a motion model derived from RCCT. The deformed intermediate CBCT images were then added to produce a final RMC-CBCT. In order to evaluate the second study goal, the CBCT was corrected in two ways, one using a model derived from the RCCT at simulation [RMC-CBCT(sim)], the other from the RCCT at treatment [RMC-CBCT(tx)]. Image evaluation compared uncorrected CBCT, RMC-CBCT(sim), and RMC-CBCT(tx). The gated CBCT at end expiration served as the criterion standard for comparison. Using automatic rigid image registration, each CBCT was registered twice to the gated CBCT, first aligned to spine, second to tumor in lung. Localization discrepancy was defined as the difference between tumor and spine registration. Agreement in tumor localization with the gated CBCT was further evaluated by calculating a normalized cross correlation (NCC) of pixel intensities within a volume-of-interest enclosing the tumor in lung. Results: Tumor localization discrepancy was reduced with RMC-CBCT(tx) in 17 out of 22 cases relative to no correction. If one considers cases in which tumor motion is 5 mm or more in the RCCT, tumor localization discrepancy is reduced with RMC-CBCT(tx) in 14 out of 17 cases (p = 0.04), and with RMC-CBCT(sim) in 13 out of 17 cases (p = 0.05). Differences in localization discrepancy between correction models [RMC-CBCT(sim) vs RMC-CBCT(tx)] were less than 2 mm. In 21 out of 22 cases, improvement in NCC was higher with RMC-CBCT(tx) relative to no correction (p < 0.0001). Differences in NCC between RMC-CBCT(sim) and RMC-CBCT(tx) were small. Conclusions: Motion-corrected CBCT improves lung tumor localization accuracy and reduces motion artifacts in nearly all cases. Motion correction at end expiration using RCCT acquired at simulation yields similar results to that using a RCCT on the treatment day (2–3 weeks after simulation)« less

Evaluation of tumor localization in respiration motion-corrected cone-beam CT: prospective study in lung.

PubMed

Dzyubak, Oleksandr; Kincaid, Russell; Hertanto, Agung; Hu, Yu-Chi; Pham, Hai; Rimner, Andreas; Yorke, Ellen; Zhang, Qinghui; Mageras, Gig S

2014-10-01

Target localization accuracy of cone-beam CT (CBCT) images used in radiation treatment of respiratory disease sites is affected by motion artifacts (blurring and streaking). The authors have previously reported on a method of respiratory motion correction in thoracic CBCT at end expiration (EE). The previous retrospective study was limited to examination of reducing motion artifacts in a small number of patient cases. They report here on a prospective study in a larger group of lung cancer patients to evaluate respiratory motion-corrected (RMC)-CBCT ability to improve lung tumor localization accuracy and reduce motion artifacts in Linac-mounted CBCT images. A second study goal examines whether the motion correction derived from a respiration-correlated CT (RCCT) at simulation yields similar tumor localization accuracy at treatment. In an IRB-approved study, 19 lung cancer patients (22 tumors) received a RCCT at simulation, and on one treatment day received a RCCT, a respiratory-gated CBCT at end expiration, and a 1-min CBCT. A respiration monitor of abdominal displacement was used during all scans. In addition to a CBCT reconstruction without motion correction, the motion correction method was applied to the same 1-min scan. Projection images were sorted into ten bins based on abdominal displacement, and each bin was reconstructed to produce ten intermediate CBCT images. Each intermediate CBCT was deformed to the end expiration state using a motion model derived from RCCT. The deformed intermediate CBCT images were then added to produce a final RMC-CBCT. In order to evaluate the second study goal, the CBCT was corrected in two ways, one using a model derived from the RCCT at simulation [RMC-CBCT(sim)], the other from the RCCT at treatment [RMC-CBCT(tx)]. Image evaluation compared uncorrected CBCT, RMC-CBCT(sim), and RMC-CBCT(tx). The gated CBCT at end expiration served as the criterion standard for comparison. Using automatic rigid image registration, each CBCT was registered twice to the gated CBCT, first aligned to spine, second to tumor in lung. Localization discrepancy was defined as the difference between tumor and spine registration. Agreement in tumor localization with the gated CBCT was further evaluated by calculating a normalized cross correlation (NCC) of pixel intensities within a volume-of-interest enclosing the tumor in lung. Tumor localization discrepancy was reduced with RMC-CBCT(tx) in 17 out of 22 cases relative to no correction. If one considers cases in which tumor motion is 5 mm or more in the RCCT, tumor localization discrepancy is reduced with RMC-CBCT(tx) in 14 out of 17 cases (p = 0.04), and with RMC-CBCT(sim) in 13 out of 17 cases (p = 0.05). Differences in localization discrepancy between correction models [RMC-CBCT(sim) vs RMC-CBCT(tx)] were less than 2 mm. In 21 out of 22 cases, improvement in NCC was higher with RMC-CBCT(tx) relative to no correction (p < 0.0001). Differences in NCC between RMC-CBCT(sim) and RMC-CBCT(tx) were small. Motion-corrected CBCT improves lung tumor localization accuracy and reduces motion artifacts in nearly all cases. Motion correction at end expiration using RCCT acquired at simulation yields similar results to that using a RCCT on the treatment day (2-3 weeks after simulation).

Assessment of ten density functionals through the use of local hyper-softness to get insights about the catalytic activity : Iron-based organometallic compounds for ethylene polymerization as testing molecules.

PubMed

Martínez-Araya, Jorge I; Glossman-Mitnik, Daniel

2018-01-18

Ten functionals were used to assess their capability to compute a local reactivity descriptor coming from the Conceptual Density Functional Theory on a group of iron-based organometallic compounds that have been synthesized by Zohuri, G.H. et al. in 2010; these compounds bear the following substituent groups: H-, O 2 N- and CH 3 O- at the para position of the pyridine ring and their catalytic activities were experimentally measured by these authors. The present work involved a theoretical analysis applied on the aforementioned iron-based compounds thus leading to suggest a new 2,6-bis(imino)pyridine catalyst based on iron(II) bearing a fluorine atom whose possible catalytic activity is suggested to be near the catalytic activity of the complex bearing a hydrogen atom as a substituent group by means of the so called local hyper-softness (LHS) thus opening a chance to estimate a possible value of catalytic activity for a new catalyst that has not been synthesized yet without simulating the entire process of ethylene polymerization. Since Conceptual DFT is not a predictive theory, but rather interpretative, an analysis of the used reactivity descriptor and its dependence upon the level of theory was carried in the present work, thus revealing that care should be taken when DFT calculations are used for these purposes.

Building a stakeholder's vision of an offshore wind-farm project: A group modeling approach.

PubMed

Château, Pierre-Alexandre; Chang, Yang-Chi; Chen, Hsin; Ko, Tsung-Ting

2012-03-15

This paper describes a Group Model Building (GMB) initiative that was designed to discuss the various potential effects that an offshore wind-farm may have on its local ecology and socioeconomic development. The representatives of various organizations in the study area, Lu-Kang, Taiwan, have held several meetings, and structured debates have been organized to promote the emergence of a consensual view on the main issues and their implications. A System Dynamics (SD) model has been built and corrected iteratively with the participants through the GMB process. The diverse interests within the group led the process toward the design of multifunctional wind-farms with different modalities. The scenario analyses, using the SD model under various policies, including no wind-farm policy, objectively articulates the vision of the local stakeholders. The results of the SD simulations show that the multifunctional wind-farms may have superior economic effects and the larger wind-farms with bird corridors could reduce ecological impact. However, the participants of the modeling process did not appreciate any type of offshore wind-farm development when considering all of the identified key factors of social acceptance. The insight gained from the study can provide valuable information to actualize feasible strategies for the green energy technique to meet local expectations. Copyright © 2012 Elsevier B.V. All rights reserved.

The Utah State Public School Finance Simulator

ERIC Educational Resources Information Center

Steffensen, Robert G.

1973-01-01

Reports on a simulator that shows the effect of proposed changes to school finance laws by legislatures on school administration. The simulator produces a report that (1) defines the basic units used to determine the dollar amounts to be disbursed to each local school district, (2) shows local school district disbursement amounts by program, and…

Wood Residue Distribution Simulator (WORDS)

Treesearch

Douglas A. Eza; James W. McMinn; Peter E. Dress

1984-01-01

Successful development of woody biomass for energy will depend on the distribution of local supply and demand within subregions, rather than on the total inventory of residues. The Wood Residue Distribution Simulator (WORDS) attempts to find a least-cost allocation of residues from local sources of supply to local sources of demand, given the cost of the materials,...

Bipartite units of nonlocality

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

Forster, Manuel; Wolf, Stefan

Imagine a task in which a group of separated players aim to simulate a statistic that violates a Bell inequality. Given measurement choices the players shall announce an output based solely on the results of local operations--which they can discuss before the separation--on shared random data and shared copies of a so-called unit correlation. In the first part of this paper we show that in such a setting the simulation of any bipartite correlation, not containing the possibility of signaling, can be made arbitrarily accurate by increasing the number of shared Popescu-Rohrlich (PR) boxes. This establishes the PR box asmore » a simple asymptotic unit of bipartite nonlocality. In the second part we study whether this property extends to the multipartite case. More generally, we ask if it is possible for separated players to asymptotically reproduce any nonsignaling statistic by local operations on bipartite unit correlations. We find that nonadaptive strategies are limited by a constant accuracy and that arbitrary strategies on n resource correlations make a mistake with a probability greater or equal to c/n, for some constant c.« less

A Probabilistic Feature Map-Based Localization System Using a Monocular Camera.

PubMed

Kim, Hyungjin; Lee, Donghwa; Oh, Taekjun; Choi, Hyun-Taek; Myung, Hyun

2015-08-31

Image-based localization is one of the most widely researched localization techniques in the robotics and computer vision communities. As enormous image data sets are provided through the Internet, many studies on estimating a location with a pre-built image-based 3D map have been conducted. Most research groups use numerous image data sets that contain sufficient features. In contrast, this paper focuses on image-based localization in the case of insufficient images and features. A more accurate localization method is proposed based on a probabilistic map using 3D-to-2D matching correspondences between a map and a query image. The probabilistic feature map is generated in advance by probabilistic modeling of the sensor system as well as the uncertainties of camera poses. Using the conventional PnP algorithm, an initial camera pose is estimated on the probabilistic feature map. The proposed algorithm is optimized from the initial pose by minimizing Mahalanobis distance errors between features from the query image and the map to improve accuracy. To verify that the localization accuracy is improved, the proposed algorithm is compared with the conventional algorithm in a simulation and realenvironments.

A Probabilistic Feature Map-Based Localization System Using a Monocular Camera

PubMed Central

Kim, Hyungjin; Lee, Donghwa; Oh, Taekjun; Choi, Hyun-Taek; Myung, Hyun

2015-01-01

Image-based localization is one of the most widely researched localization techniques in the robotics and computer vision communities. As enormous image data sets are provided through the Internet, many studies on estimating a location with a pre-built image-based 3D map have been conducted. Most research groups use numerous image data sets that contain sufficient features. In contrast, this paper focuses on image-based localization in the case of insufficient images and features. A more accurate localization method is proposed based on a probabilistic map using 3D-to-2D matching correspondences between a map and a query image. The probabilistic feature map is generated in advance by probabilistic modeling of the sensor system as well as the uncertainties of camera poses. Using the conventional PnP algorithm, an initial camera pose is estimated on the probabilistic feature map. The proposed algorithm is optimized from the initial pose by minimizing Mahalanobis distance errors between features from the query image and the map to improve accuracy. To verify that the localization accuracy is improved, the proposed algorithm is compared with the conventional algorithm in a simulation and realenvironments. PMID:26404284

Perspective: Theory and simulation of hybrid halide perovskites

PubMed Central

Jung, Young-Kwang

2017-01-01

Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modeling. Such “plastic crystals” feature dynamic processes across multiple length and time scales. These include the following: (i) transport of slow ions and fast electrons; (ii) highly anharmonic lattice dynamics with short phonon lifetimes; (iii) local symmetry breaking of the average crystallographic space group; (iv) strong relativistic (spin-orbit coupling) effects on the electronic band structure; and (v) thermodynamic metastability and rapid chemical breakdown. These issues, which affect the operation of solar cells, are outlined in this perspective. We also discuss general guidelines for performing quantitative and predictive simulations of these materials, which are relevant to metal-organic frameworks and other hybrid semiconducting, dielectric and ferroelectric compounds. PMID:29166078

Numerical tests of local scale invariance in ageing q-state Potts models

NASA Astrophysics Data System (ADS)

Lorenz, E.; Janke, W.

2007-01-01

Much effort has been spent over the last years to achieve a coherent theoretical description of ageing as a non-linear dynamics process. Long supposed to be a consequence of the slow dynamics of glassy systems only, ageing phenomena could also be identified in the phase-ordering kinetics of simple ferromagnets. As a phenomenological approach Henkel et al. developed a group of local scale transformations under which two-time autocorrelation and response functions should transform covariantly. This work is to extend previous numerical tests of the predicted scaling functions for the Ising model by Monte Carlo simulations of two-dimensional q-state Potts models with q=3 and 8, which, in equilibrium, undergo temperature-driven phase transitions of second and first order, respectively.

Dynamic pore-scale network model (PNM) of water imbibition in porous media

NASA Astrophysics Data System (ADS)

Li, J.; McDougall, S. R.; Sorbie, K. S.

2017-09-01

A dynamic pore-scale network model is presented which simulates 2-phase oil/water displacement during water imbibition by explicitly modelling intra-pore dynamic bulk and film flows using a simple local model. A new dynamic switching parameter, λ, is proposed within this model which is able to simulate the competition between local capillary forces and viscous forces over a very wide range of flow conditions. This quantity (λ) determines the primary pore filling mechanism during imbibition; i.e. whether the dominant force is (i) piston-like displacement under viscous forces, (ii) film swelling/collapse and snap-off due to capillary forces, or (iii) some intermediate local combination of both mechanisms. A series of 2D dynamic pore network simulations is presented which shows that the λ-model can satisfactorily reproduce and explain different filling regimes of water imbibition over a wide range of capillary numbers (Ca) and viscosity ratios (M). These imbibition regimes are more complex than those presented under drainage by (Lenormand et al. (1983)), since they are determined by a wider group of control parameters. Our simulations show that there is a coupling between viscous and capillary forces that is much less important in drainage. The effects of viscosity ratio during imbibition are apparent even under conditions of very slow flow (low Ca)-displacements that would normally be expected to be completely capillary dominated. This occurs as a result of the wetting films having a much greater relative mobility in the higher M cases (e.g. M = 10) thus leading to a higher level of film swelling/snap-off, resulting in local oil cluster bypassing and trapping, and hence a poorer oil recovery. This deeper coupled viscous mechanism is the underlying reason why the microscopic displacement efficiency is lower for higher M cases in water imbibition processes. Additional results are presented from the dynamic model on the corresponding effluent fractional flows (fw) and global pressure drops (ΔP) as functions of capillary number and viscosity ratio. These results indicate that unsteady-state (USS) relatively permeabilities in imbibition should be inherently rate dependent.

Comparison of Phase-Based 3D Near-Field Source Localization Techniques for UHF RFID.

PubMed

Parr, Andreas; Miesen, Robert; Vossiek, Martin

2016-06-25

In this paper, we present multiple techniques for phase-based narrowband backscatter tag localization in three-dimensional space with planar antenna arrays or synthetic apertures. Beamformer and MUSIC localization algorithms, known from near-field source localization and direction-of-arrival estimation, are applied to the 3D backscatter scenario and their performance in terms of localization accuracy is evaluated. We discuss the impact of different transceiver modes known from the literature, which evaluate different send and receive antenna path combinations for a single localization, as in multiple input multiple output (MIMO) systems. Furthermore, we propose a new Singledimensional-MIMO (S-MIMO) transceiver mode, which is especially suited for use with mobile robot systems. Monte-Carlo simulations based on a realistic multipath error model ensure spatial correlation of the simulated signals, and serve to critically appraise the accuracies of the different localization approaches. A synthetic uniform rectangular array created by a robotic arm is used to evaluate selected localization techniques. We use an Ultra High Frequency (UHF) Radiofrequency Identification (RFID) setup to compare measurements with the theory and simulation. The results show how a mean localization accuracy of less than 30 cm can be reached in an indoor environment. Further simulations demonstrate how the distance between aperture and tag affects the localization accuracy and how the size and grid spacing of the rectangular array need to be adapted to improve the localization accuracy down to orders of magnitude in the centimeter range, and to maximize array efficiency in terms of localization accuracy per number of elements.

Verifying the Simulation Hypothesis via Infinite Nested Universe Simulacrum Loops

NASA Astrophysics Data System (ADS)

Sharma, Vikrant

2017-01-01

The simulation hypothesis proposes that local reality exists as a simulacrum within a hypothetical computer's dimension. More specifically, Bostrom's trilemma proposes that the number of simulations an advanced 'posthuman' civilization could produce makes the proposition very likely. In this paper a hypothetical method to verify the simulation hypothesis is discussed using infinite regression applied to a new type of infinite loop. Assign dimension n to any computer in our present reality, where dimension signifies the hierarchical level in nested simulations our reality exists in. A computer simulating known reality would be dimension (n-1), and likewise a computer simulating an artificial reality, such as a video game, would be dimension (n +1). In this method, among others, four key assumptions are made about the nature of the original computer dimension n. Summations show that regressing such a reality infinitely will create convergence, implying that the verification of whether local reality is a grand simulation is feasible to detect with adequate compute capability. The action of reaching said convergence point halts the simulation of local reality. Sensitivities to the four assumptions and implications are discussed.

Gauge invariant lattice quantum field theory: Implications for statistical properties of high frequency financial markets

NASA Astrophysics Data System (ADS)

Dupoyet, B.; Fiebig, H. R.; Musgrove, D. P.

2010-01-01

We report on initial studies of a quantum field theory defined on a lattice with multi-ladder geometry and the dilation group as a local gauge symmetry. The model is relevant in the cross-disciplinary area of econophysics. A corresponding proposal by Ilinski aimed at gauge modeling in non-equilibrium pricing is implemented in a numerical simulation. We arrive at a probability distribution of relative gains which matches the high frequency historical data of the NASDAQ stock exchange index.

IMPROVEMENT SUPPORT RESEARCH OF LOCAL DISASTER PREVENTION POWER USING THE FIRE SPREADING SIMULATION SYSTEM IN CASE OF A BIG EARTHQUAKE

NASA Astrophysics Data System (ADS)

Futagami, Toru; Omoto, Shohei; Hamamoto, Kenichirou

This research describes the risk communication towards improvement in the local disaster prevention power for Gobusho town in Marugame city which is only a high density city area in Kagawa Pref. Specifically, the key persons and authors of the area report the practice research towards improvement in the local disaster prevention power by the PDCA cycle of the area, such as formation of local voluntary disaster management organizations and implementation of an emergency drill, applying the fire spreading simulation system in case of a big earthquake. The fire spreading simulation system in case of the big earthquake which authors are developing describes the role and subject which have been achieved to BCP of the local community as a support system.

First Principles Study of Chemically Functionalized Graphene

NASA Astrophysics Data System (ADS)

Jha, Sanjiv; Vasiliev, Igor

2015-03-01

The electronic, structural and vibrational properties of carbon nanomaterials can be affected by chemical functionalization. We applied ab initio computational methods based on density functional theory to study the covalent functionalization of graphene with benzyne, carboxyl groups and tetracyanoethylene oxide (TCNEO). Our calculations were carried out using the SIESTA and Quantum-ESPRESSO electronic structure codes combined with the local density and generalized gradient approximations for the exchange correlation functional and norm-conserving Troullier-Martins pseudopotentials. The simulated Raman and infrared spectra of graphene functionalized with carboxyl groups and TCNEO were consistent with the available experimental results. The computed vibrational spectra of graphene functionalized with carboxyl groups showed that the presence of point defects near the functionalization site affects the Raman and infrared spectroscopic signatures of functionalized graphene. Supported by NSF CHE-1112388.

The New England Climate Adaptation Project: Enhancing Local Readiness to Adapt to Climate Change through Role-Play Simulations

NASA Astrophysics Data System (ADS)

Rumore, D.; Kirshen, P. H.; Susskind, L.

2014-12-01

Despite scientific consensus that the climate is changing, local efforts to prepare for and manage climate change risks remain limited. How we can raise concern about climate change risks and enhance local readiness to adapt to climate change's effects? In this presentation, we will share the lessons learned from the New England Climate Adaptation Project (NECAP), a participatory action research project that tested science-based role-play simulations as a tool for educating the public about climate change risks and simulating collective risk management efforts. NECAP was a 2-year effort involving the Massachusetts Institute of Technology, the Consensus Building Institute, the National Estuarine Research Reserve System, and four coastal New England municipalities. During 2012-2013, the NECAP team produced downscaled climate change projections, a summary risk assessment, and a stakeholder assessment for each partner community. Working with local partners, we used these assessments to create a tailored, science-based role-play simulation for each site. Through a series of workshops in 2013, NECAP engaged between 115-170 diverse stakeholders and members of the public in each partner municipality in playing the simulation and a follow up conversation about local climate change risks and possible adaptation strategies. Data were collected through before-and-after surveys administered to all workshop participants, follow-up interviews with 25 percent of workshop participants, public opinion polls conducted before and after our intervention, and meetings with public officials. This presentation will report our research findings and explain how science-based role-play simulations can be used to help communicate local climate change risks and enhance local readiness to adapt.

Modelling the morphology of migrating bacterial colonies

NASA Astrophysics Data System (ADS)

Nishiyama, A.; Tokihiro, T.; Badoual, M.; Grammaticos, B.

2010-08-01

We present a model which aims at describing the morphology of colonies of Proteus mirabilis and Bacillus subtilis. Our model is based on a cellular automaton which is obtained by the adequate discretisation of a diffusion-like equation, describing the migration of the bacteria, to which we have added rules simulating the consolidation process. Our basic assumption, following the findings of the group of Chuo University, is that the migration and consolidation processes are controlled by the local density of the bacteria. We show that it is possible within our model to reproduce the morphological diagrams of both bacteria species. Moreover, we model some detailed experiments done by the Chuo University group, obtaining a fine agreement.

GWM-2005 - A Groundwater-Management Process for MODFLOW-2005 with Local Grid Refinement (LGR) Capability

USGS Publications Warehouse

Ahlfeld, David P.; Baker, Kristine M.; Barlow, Paul M.

2009-01-01

This report describes the Groundwater-Management (GWM) Process for MODFLOW-2005, the 2005 version of the U.S. Geological Survey modular three-dimensional groundwater model. GWM can solve a broad range of groundwater-management problems by combined use of simulation- and optimization-modeling techniques. These problems include limiting groundwater-level declines or streamflow depletions, managing groundwater withdrawals, and conjunctively using groundwater and surface-water resources. GWM was initially released for the 2000 version of MODFLOW. Several modifications and enhancements have been made to GWM since its initial release to increase the scope of the program's capabilities and to improve its operation and reporting of results. The new code, which is called GWM-2005, also was designed to support the local grid refinement capability of MODFLOW-2005. Local grid refinement allows for the simulation of one or more higher resolution local grids (referred to as child models) within a coarser grid parent model. Local grid refinement is often needed to improve simulation accuracy in regions where hydraulic gradients change substantially over short distances or in areas requiring detailed representation of aquifer heterogeneity. GWM-2005 can be used to formulate and solve groundwater-management problems that include components in both parent and child models. Although local grid refinement increases simulation accuracy, it can also substantially increase simulation run times.

Clusternomics: Integrative context-dependent clustering for heterogeneous datasets

PubMed Central

Wernisch, Lorenz

2017-01-01

Integrative clustering is used to identify groups of samples by jointly analysing multiple datasets describing the same set of biological samples, such as gene expression, copy number, methylation etc. Most existing algorithms for integrative clustering assume that there is a shared consistent set of clusters across all datasets, and most of the data samples follow this structure. However in practice, the structure across heterogeneous datasets can be more varied, with clusters being joined in some datasets and separated in others. In this paper, we present a probabilistic clustering method to identify groups across datasets that do not share the same cluster structure. The proposed algorithm, Clusternomics, identifies groups of samples that share their global behaviour across heterogeneous datasets. The algorithm models clusters on the level of individual datasets, while also extracting global structure that arises from the local cluster assignments. Clusters on both the local and the global level are modelled using a hierarchical Dirichlet mixture model to identify structure on both levels. We evaluated the model both on simulated and on real-world datasets. The simulated data exemplifies datasets with varying degrees of common structure. In such a setting Clusternomics outperforms existing algorithms for integrative and consensus clustering. In a real-world application, we used the algorithm for cancer subtyping, identifying subtypes of cancer from heterogeneous datasets. We applied the algorithm to TCGA breast cancer dataset, integrating gene expression, miRNA expression, DNA methylation and proteomics. The algorithm extracted clinically meaningful clusters with significantly different survival probabilities. We also evaluated the algorithm on lung and kidney cancer TCGA datasets with high dimensionality, again showing clinically significant results and scalability of the algorithm. PMID:29036190

Clusternomics: Integrative context-dependent clustering for heterogeneous datasets.

PubMed

Gabasova, Evelina; Reid, John; Wernisch, Lorenz

2017-10-01

Integrative clustering is used to identify groups of samples by jointly analysing multiple datasets describing the same set of biological samples, such as gene expression, copy number, methylation etc. Most existing algorithms for integrative clustering assume that there is a shared consistent set of clusters across all datasets, and most of the data samples follow this structure. However in practice, the structure across heterogeneous datasets can be more varied, with clusters being joined in some datasets and separated in others. In this paper, we present a probabilistic clustering method to identify groups across datasets that do not share the same cluster structure. The proposed algorithm, Clusternomics, identifies groups of samples that share their global behaviour across heterogeneous datasets. The algorithm models clusters on the level of individual datasets, while also extracting global structure that arises from the local cluster assignments. Clusters on both the local and the global level are modelled using a hierarchical Dirichlet mixture model to identify structure on both levels. We evaluated the model both on simulated and on real-world datasets. The simulated data exemplifies datasets with varying degrees of common structure. In such a setting Clusternomics outperforms existing algorithms for integrative and consensus clustering. In a real-world application, we used the algorithm for cancer subtyping, identifying subtypes of cancer from heterogeneous datasets. We applied the algorithm to TCGA breast cancer dataset, integrating gene expression, miRNA expression, DNA methylation and proteomics. The algorithm extracted clinically meaningful clusters with significantly different survival probabilities. We also evaluated the algorithm on lung and kidney cancer TCGA datasets with high dimensionality, again showing clinically significant results and scalability of the algorithm.

The galaxy environment in GAMA G3C groups using the Kilo Degree Survey Data Release 3

NASA Astrophysics Data System (ADS)

Costa-Duarte, M. V.; Viola, M.; Molino, A.; Kuijken, K.; , L. Sodré, Jr.; Bilicki, M.; Brouwer, M. M.; Buddelmeijer, H.; Grado, A.; de Jong, J. T. A.; Napolitano, N.; Puddu, E.; Radovich, M.; Vakili, M.

2018-04-01

We aim to investigate the galaxy environment in GAMA Galaxy Groups Catalogue (G3C) using a volume-limited galaxy sample from the Kilo Degree Survey Data Release 3. The k-Nearest Neighbour technique is adapted to take into account the probability density functions (PDFs) of photometric redshifts in our calculations. This algorithm was tested on simulated KiDS tiles, showing its capability of recovering the relation between galaxy colour, luminosity and local environment. The characterization of the galaxy environment in G3C groups shows systematically steeper density contrasts for more massive groups. The red galaxy fraction gradients in these groups is evident for most of group mass bins. The density contrast of red galaxies is systematically higher at group centers when compared to blue galaxy ones. In addition, distinct group center definitions are used to show that our results are insensitive to center definitions. These results confirm the galaxy evolution scenario which environmental mechanisms are responsible for a slow quenching process as galaxies fall into groups and clusters, resulting in a smooth observed colour gradients in galaxy systems.

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

Middleton, L. Robert; Tarver, Jacob D.; Cordaro, Joseph

Melt state dynamics for a series of strictly linear polyethylenes with precisely spaced associating functional groups were investigated. The periodic pendant acrylic acid groups form hydrogen-bonded acid aggregates within the polyethylene (PE) matrix. The dynamics of these nanoscale heterogeneous morphologies were investigated from picosecond to nanosecond timescales by both quasi-elastic neutron scattering (QENS) measurements and fully atomistic molecular dynamics (MD) simulations. Two dynamic processes were observed. The faster dynamic processes which occur at the picosecond timescales are compositionally insensitive and indicative of spatially restricted local motions. The slower dynamic processes are highly composition dependent and indicate the structural relaxation ofmore » the polymer backbone. Higher acid contents, or shorter PE spacers between pendant acid groups, slow the structural relaxation timescale and increase the stretching parameter (β) of the structural relaxation. Additionally, the dynamics of specific hydrogen atom positions along the backbone correlate structural heterogeneity imposed by the associating acid groups with a mobility gradient along the polymer backbone. At time intervals (<2 ns), the mean-squared displacements for the four methylene groups closest to the acid groups are up to 10 times smaller than those of methylene groups further from the acid groups. At longer timescales acid aggregates rearrange and the chain dynamics of the slow, near-aggregate regions and the faster bridge regions converge, implying a characteristic timescale for the passage of chains between aggregates. As a result, the characterization of the nanoscale chain dynamics in these associating polymer systems both provides validation of simulation force fields and provides understanding of heterogeneous chain dynamics in associating polymers.« less

Selected Problems in Nonlinear Dynamics and Sociophysics

NASA Astrophysics Data System (ADS)

Westley, Alexandra Renee

This Ph.D. dissertation focuses on a collection of problems on the dynamical behavior of nonlinear many-body systems, drawn from two substantially different areas. First, the dynamical behavior seen in strongly nonlinear lattices such as in the Fermi-Pasta-Ulam-Tsingou (FPUT) system (part I) and second, time evolution behavior of interacting living objects which can be broadly considered as sociophysics systems (part II). The studies on FPUT-like systems will comprise of five chapters, dedicated to the properties of solitary and anti-solitary waves in the system, how localized nonlinear excitations decay and spread throughout these lattices, how two colliding solitary waves can precipitate highly localized and stable excitations, a possible alternative way to view these localized excitations through Duffing oscillators, and finally an exploration of parametric resonance in an FPUT-like lattice. Part II consists of two problems in the context of sociophysics. I use molecular dynamics inspired simulations to study the size and the stability of social groups of chimpanzees (such as those seen in central Africa) and compare the results with existing observations on the stability of chimpanzee societies. Secondly, I use an agent-based model to simulate land battles between an intelligent army and an insurgency when both have access to equally powerful weaponry. The study considers genetic algorithm based adaptive strategies to infer the strategies needed for the intelligent army to win the battles.

Indole Localization in an Explicit Bilayer Revealed via Molecular Dynamics

NASA Astrophysics Data System (ADS)

Norman, Kristen

2005-11-01

It is well known that the amino-acid tryptophan is particularly stable in the interfacial region of biological membranes, and this preference is a property of the tryptophan side-chain. Analogues of this side-chain, such as indole, strongly localize in the interfacial region, especially near the glycerol moiety of the lipids in the bilayer. Using molecular dynamics calculations, we determine the potential of mean force (PMF) for indoles in the bilayer. We compare the calculated PMF for indole with that of benzene to show that exclusion from the center of the lipid bilayer does not occur in all aromatics, but is strong in indoles. We find three minima in the PMF. Indole is most stabilized near the glycerol moiety. A weaker binding location is found near the choline groups of the lipid molecules. An even weaker binding side is found near the center of the lipid hydrocarbon core. Comparisions between uncharged, weakly charged, and highly charged indoles demonstrate that the exclusion is caused by the charge distribution on the indole rather than the ``lipo-phobic'' effect. High temperature simulations are used to determine the relative contribution of enthalpy and entropy to indole localization. The orientation of indole is found to be largely charge independent and is a strong function of depth within the bilayer. We find good agreement between simulated SCD order parameters for indole and experimentally determined order parameters.

Performance of distributed multiscale simulations

PubMed Central

Borgdorff, J.; Ben Belgacem, M.; Bona-Casas, C.; Fazendeiro, L.; Groen, D.; Hoenen, O.; Mizeranschi, A.; Suter, J. L.; Coster, D.; Coveney, P. V.; Dubitzky, W.; Hoekstra, A. G.; Strand, P.; Chopard, B.

2014-01-01

Multiscale simulations model phenomena across natural scales using monolithic or component-based code, running on local or distributed resources. In this work, we investigate the performance of distributed multiscale computing of component-based models, guided by six multiscale applications with different characteristics and from several disciplines. Three modes of distributed multiscale computing are identified: supplementing local dependencies with large-scale resources, load distribution over multiple resources, and load balancing of small- and large-scale resources. We find that the first mode has the apparent benefit of increasing simulation speed, and the second mode can increase simulation speed if local resources are limited. Depending on resource reservation and model coupling topology, the third mode may result in a reduction of resource consumption. PMID:24982258

Linear Response Path Following: A Molecular Dynamics Method To Simulate Global Conformational Changes of Protein upon Ligand Binding.

PubMed

Tamura, Koichi; Hayashi, Shigehiko

2015-07-14

Molecular functions of proteins are often fulfilled by global conformational changes that couple with local events such as the binding of ligand molecules. High molecular complexity of proteins has, however, been an obstacle to obtain an atomistic view of the global conformational transitions, imposing a limitation on the mechanistic understanding of the functional processes. In this study, we developed a new method of molecular dynamics (MD) simulation called the linear response path following (LRPF) to simulate a protein's global conformational changes upon ligand binding. The method introduces a biasing force based on a linear response theory, which determines a local reaction coordinate in the configuration space that represents linear coupling between local events of ligand binding and global conformational changes and thus provides one with fully atomistic models undergoing large conformational changes without knowledge of a target structure. The overall transition process involving nonlinear conformational changes is simulated through iterative cycles consisting of a biased MD simulation with an updated linear response force and a following unbiased MD simulation for relaxation. We applied the method to the simulation of global conformational changes of the yeast calmodulin N-terminal domain and successfully searched out the end conformation. The atomistically detailed trajectories revealed a sequence of molecular events that properly lead to the global conformational changes and identified key steps of local-global coupling that induce the conformational transitions. The LRPF method provides one with a powerful means to model conformational changes of proteins such as motors and transporters where local-global coupling plays a pivotal role in their functional processes.

Theoretical Technology Research for the International Solar Terrestrial Physics (ISTP) Program

NASA Technical Reports Server (NTRS)

Ashour-Abdalla, Maha; Curtis, Steve (Technical Monitor)

2002-01-01

During the last four years the UCLA (University of California, Los Angeles) IGPP (Institute of Geophysics and Planetary Physics) Space Plasma Simulation Group has continued its theoretical effort to develop a Mission Oriented Theory (MOT) for the International Solar Terrestrial Physics (ISTP) program. This effort has been based on a combination of approaches: analytical theory, large-scale kinetic (LSK) calculations, global magnetohydrodynamic (MHD) simulations and self-consistent plasma kinetic (SCK) simulations. These models have been used to formulate a global interpretation of local measurements made by the ISTP spacecraft. The regions of applications of the MOT cover most of the magnetosphere: solar wind, low- and high- latitude magnetospheric boundary, near-Earth and distant magnetotail, and auroral region. Most recent investigations include: plasma processes in the electron foreshock, response of the magnetospheric cusp, particle entry in the magnetosphere, sources of observed distribution functions in the magnetotail, transport of oxygen ions, self-consistent evolution of the magnetotail, substorm studies, effects of explosive reconnection, and auroral acceleration simulations. A complete list of the activities completed under the grant follow.

Scaling Theory of Entanglement at the Many-Body Localization Transition.

PubMed

Dumitrescu, Philipp T; Vasseur, Romain; Potter, Andrew C

2017-09-15

We study the universal properties of eigenstate entanglement entropy across the transition between many-body localized (MBL) and thermal phases. We develop an improved real space renormalization group approach that enables numerical simulation of large system sizes and systematic extrapolation to the infinite system size limit. For systems smaller than the correlation length, the average entanglement follows a subthermal volume law, whose coefficient is a universal scaling function. The full distribution of entanglement follows a universal scaling form, and exhibits a bimodal structure that produces universal subleading power-law corrections to the leading volume law. For systems larger than the correlation length, the short interval entanglement exhibits a discontinuous jump at the transition from fully thermal volume law on the thermal side, to pure area law on the MBL side.

Two-dimensional infrared spectral signature and hydration of the oxalate dianion

PubMed Central

Kuroda, Daniel G.; Hochstrasser, Robin M.

2011-01-01

Ultrafast vibrational spectra of the aqueous oxalate ion in the region of its carboxylate asymmetric stretch modes show novel relaxation processes. Two-dimensional infrared vibrational echo spectra and the vibrational dynamics obtained from them along with measurements of the anisotropy decay provide a picture in which the localization of the oxalate vibrational excitation onto the carboxylate groups occurs in ∼450 fs. Molecular dynamics simulations are used to characterize the vibrational dynamics in terms of dihedral angle motion between the two carboxylate planes and solvation dynamics. The localization of the oxalate vibrational excitation onto the carboxylates is induced by the fluctuations in the carboxylate vibrational frequencies which are shown by theory and experiment to have a similar correlation time as the anisotropy decay. PMID:22128938

The game of go as a complex network

NASA Astrophysics Data System (ADS)

Georgeot, Bertrand; Giraud, Olivier; Kandiah, Vivek

2014-03-01

We have studied the game of go, one of the most ancient and complex board games, from a complex network perspective. We have defined a proper categorization of moves taking into account the local environment, and shown that in this case Zipf's law emerges from data taken from real games. The network shows differences between professional and amateur games, different level of amateurs, or different phases of the game. Certain eigenvectors are localized on specific groups of moves which correspond to different strategies (communities of moves). The point of view developed should allow to better modelize such games and could also help to design simulators which could in the future beat good human players. Our approach could be used for other types of games, and in parallel shed light on the human decision making process.

iBIOMES Lite: Summarizing Biomolecular Simulation Data in Limited Settings

PubMed Central

2015-01-01

As the amount of data generated by biomolecular simulations dramatically increases, new tools need to be developed to help manage this data at the individual investigator or small research group level. In this paper, we introduce iBIOMES Lite, a lightweight tool for biomolecular simulation data indexing and summarization. The main goal of iBIOMES Lite is to provide a simple interface to summarize computational experiments in a setting where the user might have limited privileges and limited access to IT resources. A command-line interface allows the user to summarize, publish, and search local simulation data sets. Published data sets are accessible via static hypertext markup language (HTML) pages that summarize the simulation protocols and also display data analysis graphically. The publication process is customized via extensible markup language (XML) descriptors while the HTML summary template is customized through extensible stylesheet language (XSL). iBIOMES Lite was tested on different platforms and at several national computing centers using various data sets generated through classical and quantum molecular dynamics, quantum chemistry, and QM/MM. The associated parsers currently support AMBER, GROMACS, Gaussian, and NWChem data set publication. The code is available at https://github.com/jcvthibault/ibiomes. PMID:24830957

Spreading to localized targets in complex networks

NASA Astrophysics Data System (ADS)

Sun, Ye; Ma, Long; Zeng, An; Wang, Wen-Xu

2016-12-01

As an important type of dynamics on complex networks, spreading is widely used to model many real processes such as the epidemic contagion and information propagation. One of the most significant research questions in spreading is to rank the spreading ability of nodes in the network. To this end, substantial effort has been made and a variety of effective methods have been proposed. These methods usually define the spreading ability of a node as the number of finally infected nodes given that the spreading is initialized from the node. However, in many real cases such as advertising and news propagation, the spreading only aims to cover a specific group of nodes. Therefore, it is necessary to study the spreading ability of nodes towards localized targets in complex networks. In this paper, we propose a reversed local path algorithm for this problem. Simulation results show that our method outperforms the existing methods in identifying the influential nodes with respect to these localized targets. Moreover, the influential spreaders identified by our method can effectively avoid infecting the non-target nodes in the spreading process.

On the application of accelerated molecular dynamics to liquid water simulations.

PubMed

de Oliveira, César Augusto F; Hamelberg, Donald; McCammon, J Andrew

2006-11-16

Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics (MD) approach to simulate the transition of high energy barriers without any advance knowledge of the potential-energy landscape. The main idea is to modify the potential-energy surface by adding a bias, or boost, potential in regions close to the local minima, such that all transitions rates are increased. By applying the accelerated MD simulation method to liquid water, we observed that this new simulation technique accelerates the molecular motion without losing its microscopic structure and equilibrium properties. Our results showed that the application of a small boost energy on the potential-energy surface significantly reduces the statistical inefficiency of the simulation while keeping all the other calculated properties unchanged. On the other hand, although aggressive acceleration of the dynamics simulation increases the self-diffusion coefficient of water molecules greatly and dramatically reduces the correlation time of the simulation, configurations representative of the true structure of liquid water are poorly sampled. Our results also showed the strength and robustness of this simulation technique, which confirm this approach as a very useful and promising tool to extend the time scale of the all-atom simulations of biological system with explicit solvent models. However, we should keep in mind that there is a compromise between the strength of the boost applied in the simulation and the reproduction of the ensemble average properties.

CO-ORBITING PLANES OF SUB-HALOS ARE SIMILARLY UNLIKELY AROUND PAIRED AND ISOLATED HOSTS

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

Pawlowski, Marcel S.; McGaugh, Stacy S., E-mail: marcel.pawlowski@case.edu

2014-07-01

Sub-halos in dark-matter-based cosmological simulations tend to be distributed approximately isotropically around their host. The existence of highly flattened, co-orbiting planes of satellite galaxies has therefore been identified as a possible problem for these cosmological models, but so far studies have not considered the hosts' environments. That satellite planes are now known around both major galaxies in the Local Group raises the question whether they are more likely to be found around paired hosts. In a first attempt to investigate this possibility, we focus on the flattening and orbital coherence of the 11 brightest satellite galaxies of the vast polarmore » structure (VPOS) around the Milky Way (MW). We search for VPOS analogs in the ''Exploring the Local Volume in Simulations'' suite of cosmological simulations, which consist of 24 paired and 24 isolated host halos. We do not find significant differences between the properties of sub-halo distributions around paired and isolated hosts. The observed flattening and the observed orbital alignment are each reproduced by only 0.2%-2% of paired and isolated systems incorporating the obscuration of satellites by randomly oriented galactic disks. Only 1 of all 4800 analyzed realizations (0.02%) reproduces both parameters simultaneously, but the average orbital pole of this sub-halo system does not align as well with the normal to the plane fit as observed. That the MW is part of a galaxy pair thus does not help to explain the existence of the VPOS if the satellite galaxies are identified with sub-halos found in dissipationless simulations.« less

The core-cusp problem: a matter of perspective

NASA Astrophysics Data System (ADS)

Genina, Anna; Benítez-Llambay, Alejandro; Frenk, Carlos S.; Cole, Shaun; Fattahi, Azadeh; Navarro, Julio F.; Oman, Kyle A.; Sawala, Till; Theuns, Tom

2018-02-01

The existence of two kinematically and chemically distinct stellar subpopulations in the Sculptor and Fornax dwarf galaxies offers the opportunity to constrain the density profile of their matter haloes by measuring the mass contained within the well-separated half-light radii of the two metallicity subpopulations. Walker and Peñarrubia have used this approach to argue that data for these galaxies are consistent with constant-density `cores' in their inner regions and rule out `cuspy' Navarro-Frenk-White (NFW) profiles with high statistical significance, particularly in the case of Sculptor. We test the validity of these claims using dwarf galaxies in the APOSTLE (A Project Of Simulating The Local Environment) Λ cold dark matter cosmological hydrodynamic simulations of analogues of the Local Group. These galaxies all have NFW dark matter density profiles and a subset of them develop two distinct metallicity subpopulations reminiscent of Sculptor and Fornax. We apply a method analogous to that of Walker and Peñarrubia to a sample of 50 simulated dwarfs and find that this procedure often leads to a statistically significant detection of a core in the profile when in reality there is a cusp. Although multiple factors contribute to these failures, the main cause is a violation of the assumption of spherical symmetry upon which the mass estimators are based. The stellar populations of the simulated dwarfs tend to be significantly elongated and, in several cases, the two metallicity populations have different asphericity and are misaligned. As a result, a wide range of slopes of the density profile are inferred depending on the angle from which the galaxy is viewed.

Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study.

PubMed

Iwahashi, Takashi; Ishiyama, Tatsuya; Sakai, Yasunari; Morita, Akihiro; Kim, Doseok; Ouchi, Yukio

2015-10-14

IR-visible sum-frequency generation (IV-SFG) vibrational spectroscopy and a molecular dynamics (MD) simulation were used to study the local layering order at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6), a room-temperature ionic liquid (RTIL). The presence of a local non-polar layer at the interface of the two polar liquids was successfully demonstrated. In the SFG spectra of 1-butanol-d9, we observed significant reduction and enhancement in the strength of the CD3 symmetric stretching (r(+)) mode and the antisymmetric stretching (r(-)) mode peaks, respectively. The results can be well explained by the presence of an oppositely oriented quasi-bilayer structure of butanol molecules, where the bottom layer is strongly bound by hydrogen-bonding with the PF6(-) anion. MD simulations reveal that the hydrogen-bonding of butanol with the PF6(-) anion causes the preferential orientation of the butanols; the restriction on the rotational distribution of the terminal methyl group along their C3 axis enhances the r(-) mode. As for the [bmim](+) cations, the SFG spectra taken within the CH stretch region indicate that the butyl chain of [bmim](+) points away from the bulk RTIL phase to the butanol phase at the interface. Combining the SFG spectroscopy and MD simulation results, we propose an interfacial model structure of layering, in which the butyl chains of the butanol molecules form a non-polar interfacial layer with the butyl chains of the [bmim](+) cations at the interface.

The Suppression of Star Formation in Low-Mass Galaxies Caused by the Reionization of their Local Patch

NASA Astrophysics Data System (ADS)

Dawoodbhoy, Taha; Shapiro, Paul R.; Choi, Jun-Hwan; Ocvirk, Pierre; Gillet, Nicolas; Aubert, Dominique; Iliev, Ilian T.; Teyssier, Romain; Yepes, Gustavo; Sullivan, David; Knebe, Alexander; Gottloeber, Stefan; D'Aloisio, Anson; Park, Hyunbae; Hoffman, Yehuda; Stranex, Timothy

2017-01-01

The first stars and galaxies released enough ionizing radiation into the intergalactic medium (IGM) to ionize almost all the hydrogen atoms there by redshift z ~ 6. This process was "patchy" --- ionized zones grew in size over time until they overlapped to finish reionization.The photoheating associated with reionization caused a negative feedback on the galactic sources of reionization that suppressed star formation in low-mass galactic halos, especially those below 109 M⊙. To establish the causal connection between reionization and this suppression, we analyze the results of CoDa ("Cosmic Dawn"), the first fully-coupled radiation-hydrodynamical simulation of reionization and galaxy formation in the Local Universe, in a volume large enough to model reionization globally but with enough resolving power to follow all the atomic-cooling galactic halos in that volume. A 90 Mpc box was simulated from a constrained realization of primordial fluctuations, chosen to reproduce present-day features of the Local Group, including the Milky Way and M31, and the local universe beyond, including the Virgo cluster, with 40963 N-body particles for the dark matter and 40963 cells for the atomic gas and ionizing radiation. We use these results to show that the star formation rate in haloes below 109 M⊙ in different patches of the universe declined when each patch was reionized. Star formation in much more massive haloes continued, however. As a result, the earliest patches to develop structure and reionize ultimately produced more stars than they needed to reionize themselves, exporting their starlight to help reionize the regions that developed structure late.

The Suppression of Star Formation in Low-Mass Galaxies Caused by the Reionization of their Local Patch

NASA Astrophysics Data System (ADS)

Dawoodbhoy, Taha; Shapiro, Paul R.; Choi, Jun-Hwan; Ocvirk, Pierre; Gillet, Nicolas; Aubert, Dominique; Iliev, Ilian T.; Teyssier, Romain; Yepes, Gustavo; Sullivan, David; Knebe, Alexander; Gottloeber, Stefan; D'Aloisio, Anson; Park, Hyunbae; Hoffman, Yehuda; Stranex, Timothy

2017-06-01

The first stars and galaxies released enough ionizing radiation into the intergalactic medium (IGM) to ionize almost all the hydrogen atoms there by redshift z ~ 6. This process was "patchy" --- ionized zones grew in size over time until they overlapped to finish reionization. The photoheating associated with reionization caused a negative feedback on the galactic sources of reionization that suppressed star formation in low-mass galactic halos, especially those below 109 M⊙. To establish the causal connection between reionization and this suppression, we analyze the results of CoDa ("Cosmic Dawn"), the first fully-coupled radiation-hydrodynamical simulation of reionization and galaxy formation in the Local Universe, in a volume large enough to model reionization globally but with enough resolving power to follow all the atomic-cooling galactic halos in that volume. A 90 Mpc box was simulated from a constrained realization of primordial fluctuations, chosen to reproduce present-day features of the Local Group, including the Milky Way and M31, and the local universe beyond, including the Virgo cluster, with 40963 N-body particles for the dark matter and 40963 cells for the atomic gas and ionizing radiation. We use these results to show that the star formation rate in haloes below 109 M⊙ in different patches of the universe declined when each patch was reionized. Star formation in much more massive haloes continued, however. As a result, the earliest patches to develop structure and reionize ultimately produced more stars than they needed to reionize themselves, exporting their starlight to help reionize the regions that developed structure late.

Virtual-reality-Based 3D navigation training for emergency egress from spacecraft.

PubMed

Aoki, Hirofumi; Oman, Charles M; Natapoff, Alan

2007-08-01

Astronauts have reported spatial disorientation and navigation problems inside spacecraft whose interior visual vertical direction varies from module to module. If they had relevant preflight practice they might orient better. This experiment examined the influence of relative body orientation and individual spatial skills during VR training on a simulated emergency egress task. During training, 36 subjects were each led on 12 tours through a space station by a virtual tour guide. Subjects wore a head-mounted display and controlled their motion with a game-pad. Each tour traversed multiple modules and involved up to three changes in visual vertical direction. Each subject was assigned to one of three groups that maintained different postures: visually upright relative to the "local" module; constant orientation relative to the "station" irrespective of local visual vertical; and "mixed" (local, followed by station orientation). Groups were balanced on the basis of mental rotation and perspective-taking test scores. Subjects then performed 24 emergency egress testing trials without the tour guide. Smoke reduced visibility during the last 12 trials. Egress time, sense of direction (by pointing to origin and destination) and configuration knowledge were measured. Both individual 3D spatial abilities and orientation during training influence emergency egress performance, pointing, and configuration knowledge. Local training facilitates landmark and route learning, but station training enhances sense of direction relative to station, and, therefore, performance in low visibility. We recommend a sequence of local, followed by station, and then randomized orientation training, preferably customized to a trainee's 3D spatial ability.

Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations

PubMed Central

2017-01-01

This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape of the local potential energy surface, which in turn determines local thermodynamic properties such as the entropy. Here, we extract this information using a spatially resolved extension of the two-phase thermodynamics method to estimate hydration water entropies based on the local vibrational density of states (3D-2PT). Combined with an analysis of solute–water and water–water interaction energies, this allows us to resolve local contributions to the solvation enthalpy, entropy, and free energy. We use this approach to study effects of ions on their surrounding water hydrogen bond network, its spectrum of intermolecular vibrations, and resulting thermodynamic properties. In the three-dimensional environment of polar and nonpolar functional groups of molecular solutes, we identify distinct hydration water species and classify them by their characteristic vibrational density of states and molecular entropies. In each case, we are able to assign variations in local hydration water entropies to specific changes in the spectrum of intermolecular vibrations. This provides an important link for the thermodynamic interpretation of vibrational spectra that are accessible to far-infrared absorption and Raman spectroscopy experiments. Our analysis provides unique microscopic details regarding the hydration of hydrophobic and hydrophilic functional groups, which enable us to identify interactions and molecular degrees of freedom that determine relevant contributions to the solvation entropy and consequently the free energy. PMID:28783431

Early chemo-dynamical evolution of dwarf galaxies deduced from enrichment of r-process elements

NASA Astrophysics Data System (ADS)

Hirai, Yutaka; Ishimaru, Yuhri; Saitoh, Takayuki R.; Fujii, Michiko S.; Hidaka, Jun; Kajino, Toshitaka

2017-04-01

The abundance of elements synthesized by the rapid neutron-capture process (r-process elements) of extremely metal-poor (EMP) stars in the Local Group galaxies gives us clues to clarify the early evolutionary history of the Milky Way halo. The Local Group dwarf galaxies would have similarly evolved with building blocks of the Milky Way halo. However, how the chemo-dynamical evolution of the building blocks affects the abundance of r-process elements is not yet clear. In this paper, we perform a series of simulations using dwarf galaxy models with various dynamical times and total mass, which determine star formation histories. We find that galaxies with dynamical times longer than 100 Myr have star formation rates less than 10-3 M⊙ yr-1 and slowly enrich metals in their early phase. These galaxies can explain the observed large scatters of r-process abundance in EMP stars in the Milky Way halo regardless of their total mass. On the other hand, the first neutron star merger appears at a higher metallicity in galaxies with a dynamical time shorter than typical neutron star merger times. The scatters of r-process elements mainly come from the inhomogeneity of the metals in the interstellar medium whereas the scatters of α-elements are mostly due to the difference in the yield of each supernova. Our results demonstrate that the future observations of r-process elements in EMP stars will be able to constrain the early chemo-dynamical evolution of the Local Group galaxies.

Locality Aware Concurrent Start for Stencil Applications

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

Shrestha, Sunil; Gao, Guang R.; Manzano Franco, Joseph B.

Stencil computations are at the heart of many physical simulations used in scientific codes. Thus, there exists a plethora of optimization efforts for this family of computations. Among these techniques, tiling techniques that allow concurrent start have proven to be very efficient in providing better performance for these critical kernels. Nevertheless, with many core designs being the norm, these optimization techniques might not be able to fully exploit locality (both spatial and temporal) on multiple levels of the memory hierarchy without compromising parallelism. It is no longer true that the machine can be seen as a homogeneous collection of nodesmore » with caches, main memory and an interconnect network. New architectural designs exhibit complex grouping of nodes, cores, threads, caches and memory connected by an ever evolving network-on-chip design. These new designs may benefit greatly from carefully crafted schedules and groupings that encourage parallel actors (i.e. threads, cores or nodes) to be aware of the computational history of other actors in close proximity. In this paper, we provide an efficient tiling technique that allows hierarchical concurrent start for memory hierarchy aware tile groups. Each execution schedule and tile shape exploit the available parallelism, load balance and locality present in the given applications. We demonstrate our technique on the Intel Xeon Phi architecture with selected and representative stencil kernels. We show improvement ranging from 5.58% to 31.17% over existing state-of-the-art techniques.« less

Computer simulations of local anesthetic mechanisms: Quantum chemical investigation of procaine

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

Smith, Jeremy C; Bondar, A.N.; Suhai, Sandor

2007-02-01

A description at the atomic level of detail of the interaction between local anesthetics, lipid membranes and membrane proteins, is essential for understanding the mechanism of local anesthesia. The importance of performing computer simulations to decipher the mechanism of local anesthesia is discussed here in the context of the current status of understanding of the local anesthetics action. As a first step towards accurate simulations of the interaction between local anesthetics, proteins, lipid and water molecules, here we use quantum mechanical methods to assess the charge distribution and structural properties of procaine in the presence and in the absence ofmore » water molecules. The calculations indicate that, in the absence of hydrogen-bonding water molecules, protonated procaine strongly prefers a compact structure enabled by intramolecular hydrogen bonding. In the presence of water molecules the torsional energy pro?le of procaine is modified, and hydrogen bonding to water molecules is favored relative to intra-molecular hydrogen bonding.« less

Resonant sterile neutrino dark matter in the local and high-z Universe

NASA Astrophysics Data System (ADS)

Bozek, Brandon; Boylan-Kolchin, Michael; Horiuchi, Shunsaku; Garrison-Kimmel, Shea; Abazajian, Kevork; Bullock, James S.

2016-06-01

Sterile neutrinos comprise an entire class of dark matter models that, depending on their production mechanism, can be hot, warm, or cold dark matter (CDM). We simulate the Local Group and representative volumes of the Universe in a variety of sterile neutrino models, all of which are consistent with the possible existence of a radiative decay line at ˜3.5 keV. We compare models of production via resonances in the presence of a lepton asymmetry (suggested by Shi & Fuller 1999) to `thermal' models. We find that properties in the highly non-linear regime - e.g. counts of satellites and internal properties of haloes and subhaloes - are insensitive to the precise fall-off in power with wavenumber, indicating that non-linear evolution essentially washes away differences in the initial (linear) matter power spectrum. In the quasi-linear regime at higher redshifts, however, quantitative differences in the 3D matter power spectra remain, raising the possibility that such models can be tested with future observations of the Lyman-α forest. While many of the sterile neutrino models largely eliminate multiple small-scale issues within the CDM paradigm, we show that these models may be ruled out in the near future via discoveries of additional dwarf satellites in the Local Group.

Spike sorting of synchronous spikes from local neuron ensembles

PubMed Central

Pröpper, Robert; Alle, Henrik; Meier, Philipp; Geiger, Jörg R. P.; Obermayer, Klaus; Munk, Matthias H. J.

2015-01-01

Synchronous spike discharge of cortical neurons is thought to be a fingerprint of neuronal cooperativity. Because neighboring neurons are more densely connected to one another than neurons that are located further apart, near-synchronous spike discharge can be expected to be prevalent and it might provide an important basis for cortical computations. Using microelectrodes to record local groups of neurons does not allow for the reliable separation of synchronous spikes from different cells, because available spike sorting algorithms cannot correctly resolve the temporally overlapping waveforms. We show that high spike sorting performance of in vivo recordings, including overlapping spikes, can be achieved with a recently developed filter-based template matching procedure. Using tetrodes with a three-dimensional structure, we demonstrate with simulated data and ground truth in vitro data, obtained by dual intracellular recording of two neurons located next to a tetrode, that the spike sorting of synchronous spikes can be as successful as the spike sorting of nonoverlapping spikes and that the spatial information provided by multielectrodes greatly reduces the error rates. We apply the method to tetrode recordings from the prefrontal cortex of behaving primates, and we show that overlapping spikes can be identified and assigned to individual neurons to study synchronous activity in local groups of neurons. PMID:26289473

Atomic quantum simulation of the lattice gauge-Higgs model: Higgs couplings and emergence of exact local gauge symmetry.

PubMed

Kasamatsu, Kenichi; Ichinose, Ikuo; Matsui, Tetsuo

2013-09-13

Recently, the possibility of quantum simulation of dynamical gauge fields was pointed out by using a system of cold atoms trapped on each link in an optical lattice. However, to implement exact local gauge invariance, fine-tuning the interaction parameters among atoms is necessary. In the present Letter, we study the effect of violation of the U(1) local gauge invariance by relaxing the fine-tuning of the parameters and showing that a wide variety of cold atoms is still a faithful quantum simulator for a U(1) gauge-Higgs model containing a Higgs field sitting on sites. The clarification of the dynamics of this gauge-Higgs model sheds some light upon various unsolved problems, including the inflation process of the early Universe. We study the phase structure of this model by Monte Carlo simulation and also discuss the atomic characteristics of the Higgs phase in each simulator.

Simulation of laminate composites degradation using mesoscopic non-local damage model and non-local layered shell element

NASA Astrophysics Data System (ADS)

Germain, Norbert; Besson, Jacques; Feyel, Frédéric

2007-07-01

Simulating damage and failure of laminate composites structures often fails when using the standard finite element procedure. The difficulties arise from an uncontrolled mesh dependence caused by damage localization and an increase in computational costs. One of the solutions to the first problem, widely used to predict the failure of metallic materials, consists of using non-local damage constitutive equations. The second difficulty can then be solved using specific finite element formulations, such as shell element, which decrease the number of degrees of freedom. The main contribution of this paper consists of extending these techniques to layered materials such as polymer matrix composites. An extension of the non-local implicit gradient formulation, accounting for anisotropy and stratification, and an original layered shell element, based on a new partition of the unity, are proposed. Finally the efficiency of the resulting numerical scheme is studied by comparing simulation with experimental results.

The Future of Stellar Populations Studies in the Milky Way and the Local Group

NASA Astrophysics Data System (ADS)

Majewski, Steven R.

2010-04-01

The last decade has seen enormous progress in understanding the structure of the Milky Way and neighboring galaxies via the production of large-scale digital surveys of the sky like 2MASS and SDSS, as well as specialized, counterpart imaging surveys of other Local Group systems. Apart from providing snaphots of galaxy structure, these “cartographic” surveys lend insights into the formation and evolution of galaxies when supplemented with additional data (e.g., spectroscopy, astrometry) and when referenced to theoretical models and simulations of galaxy evolution. These increasingly sophisticated simulations are making ever more specific predictions about the detailed chemistry and dynamics of stellar populations in galaxies. To fully exploit, test and constrain these theoretical ventures demands similar commitments of observational effort as has been plied into the previous imaging surveys to fill out other dimensions of parameter space with statistically significant intensity. Fortunately the future of large-scale stellar population studies is bright with a number of grand projects on the horizon that collectively will contribute a breathtaking volume of information on individual stars in Local Group galaxies. These projects include: (1) additional imaging surveys, such as Pan-STARRS, SkyMapper and LSST, which, apart from providing deep, multicolor imaging, yield time series data useful for revealing variable stars (including critical standard candles, like RR Lyrae variables) and creating large-scale, deep proper motion catalogs; (2) higher accuracy, space-based astrometric missions, such as Gaia and SIM-Lite, which stand to provide critical, high precision dynamical data on stars in the Milky Way and its satellites; and (3) large-scale spectroscopic surveys provided by RAVE, APOGEE, HERMES, LAMOST, and the Gaia spectrometer, which will yield not only enormous numbers of stellar radial velocities, but extremely comprehensive views of the chemistry of stellar populations. Meanwhile, previously dust-obscured regions of the Milky Way will continue to be systematically exposed via large infrared surveys underway or on the way, such as the various GLIMPSE surveys from Spitzer's IRAC instrument, UKIDSS, APOGEE, JASMINE and WISE.

Investigation of maximum local specific absorption rate in 7 T magnetic resonance with respect to load size by use of electromagnetic simulations.

PubMed

Tiberi, Gianluigi; Fontana, Nunzia; Costagli, Mauro; Stara, Riccardo; Biagi, Laura; Symms, Mark Roger; Monorchio, Agostino; Retico, Alessandra; Cosottini, Mirco; Tosetti, Michela

2015-07-01

Local specific absorption rate (SAR) evaluation in ultra high field (UHF) magnetic resonance (MR) systems is a major concern. In fact, at UHF, radiofrequency (RF) field inhomogeneity generates hot-spots that could cause localized tissue heating. Unfortunately, local SAR measurements are not available in present MR systems; thus, electromagnetic simulations must be performed for RF fields and SAR analysis. In this study, we used three-dimensional full-wave numerical electromagnetic simulations to investigate the dependence of local SAR at 7.0 T with respect to subject size in two different scenarios: surface coil loaded by adult and child calves and quadrature volume coil loaded by adult and child heads. In the surface coil scenario, maximum local SAR decreased with decreasing load size, provided that the RF magnetic fields for the different load sizes were scaled to achieve the same slice average value. On the contrary, in the volume coil scenario, maximum local SAR was up to 15% higher in children than in adults. © 2015 Wiley Periodicals, Inc.

An asymptotic analysis of the logrank test.

PubMed

Strawderman, R L

1997-01-01

Asymptotic expansions for the null distribution of the logrank statistic and its distribution under local proportional hazards alternatives are developed in the case of iid observations. The results, which are derived from the work of Gu (1992) and Taniguchi (1992), are easy to interpret, and provide some theoretical justification for many behavioral characteristics of the logrank test that have been previously observed in simulation studies. We focus primarily upon (i) the inadequacy of the usual normal approximation under treatment group imbalance; and, (ii) the effects of treatment group imbalance on power and sample size calculations. A simple transformation of the logrank statistic is also derived based on results in Konishi (1991) and is found to substantially improve the standard normal approximation to its distribution under the null hypothesis of no survival difference when there is treatment group imbalance.

Attributions of the "causes" of group performance as an alternative explanation of the relationship between organizational citizenship behavior and organizational performance.

PubMed

Bachrach, D G; Bendoly, E; Podsakoff, P M

2001-12-01

The purpose of this study was to examine the possibility that feedback regarding team performance may influence team members' reports of organizational citizenship behaviors. Ninety-five teams of business students (N = 412) participated in a labor-scheduling simulation over a local area network. Teams were provided with false negative, false positive, or neutral feedback regarding their performance. Results support the hypothesis that the perception of 2 forms of organizational citizenship behavior (helping behavior and civic virtue) in work groups may, in part. be a function of the nature of the performance feedback that group members receive. However, negative feedback appears to play a more critical role than positive feedback in this attributional process. Possible reasons for these findings, as well as their implications, are discussed.

Global Response to Local Ionospheric Mass Ejection

NASA Technical Reports Server (NTRS)

Moore, T. E.; Fok, M.-C.; Delcourt, D. C.; Slinker, S. P.; Fedder, J. A.

2010-01-01

We revisit a reported "Ionospheric Mass Ejection" using prior event observations to guide a global simulation of local ionospheric outflows, global magnetospheric circulation, and plasma sheet pressurization, and comparing our results with the observed global response. Our simulation framework is based on test particle motions in the Lyon-Fedder-Mobarry (LFM) global circulation model electromagnetic fields. The inner magnetosphere is simulated with the Comprehensive Ring Current Model (CRCM) of Fok and Wolf, driven by the transpolar potential developed by the LFM magnetosphere, and includes an embedded plasmaspheric simulation. Global circulation is stimulated using the observed solar wind conditions for the period 24-25 Sept 1998. This period begins with the arrival of a Coronal Mass Ejection, initially with northward, but later with southward interplanetary magnetic field. Test particles are launched from the ionosphere with fluxes specified by local empirical relationships of outflow to electrodynamic and particle precipitation imposed by the MIlD simulation. Particles are tracked until they are lost from the system downstream or into the atmosphere, using the full equations of motion. Results are compared with the observed ring current and a simulation of polar and auroral wind outflows driven globally by solar wind dynamic pressure. We find good quantitative agreement with the observed ring current, and reasonable qualitative agreement with earlier simulation results, suggesting that the solar wind driven global simulation generates realistic energy dissipation in the ionosphere and that the Strangeway relations provide a realistic local outflow description.

Kernel PLS Estimation of Single-trial Event-related Potentials

NASA Technical Reports Server (NTRS)

Rosipal, Roman; Trejo, Leonard J.

2004-01-01

Nonlinear kernel partial least squaes (KPLS) regressior, is a novel smoothing approach to nonparametric regression curve fitting. We have developed a KPLS approach to the estimation of single-trial event related potentials (ERPs). For improved accuracy of estimation, we also developed a local KPLS method for situations in which there exists prior knowledge about the approximate latency of individual ERP components. To assess the utility of the KPLS approach, we compared non-local KPLS and local KPLS smoothing with other nonparametric signal processing and smoothing methods. In particular, we examined wavelet denoising, smoothing splines, and localized smoothing splines. We applied these methods to the estimation of simulated mixtures of human ERPs and ongoing electroencephalogram (EEG) activity using a dipole simulator (BESA). In this scenario we considered ongoing EEG to represent spatially and temporally correlated noise added to the ERPs. This simulation provided a reasonable but simplified model of real-world ERP measurements. For estimation of the simulated single-trial ERPs, local KPLS provided a level of accuracy that was comparable with or better than the other methods. We also applied the local KPLS method to the estimation of human ERPs recorded in an experiment on co,onitive fatigue. For these data, the local KPLS method provided a clear improvement in visualization of single-trial ERPs as well as their averages. The local KPLS method may serve as a new alternative to the estimation of single-trial ERPs and improvement of ERP averages.

Not a Copernican observer: biased peculiar velocity statistics in the local Universe

NASA Astrophysics Data System (ADS)

Hellwing, Wojciech A.; Nusser, Adi; Feix, Martin; Bilicki, Maciej

2017-05-01

We assess the effect of the local large-scale structure on the estimation of two-point statistics of the observed radial peculiar velocities of galaxies. A large N-body simulation is used to examine these statistics from the perspective of random observers as well as 'Local Group-like' observers conditioned to reside in an environment resembling the observed Universe within 20 Mpc. The local environment systematically distorts the shape and amplitude of velocity statistics with respect to ensemble-averaged measurements made by a Copernican (random) observer. The Virgo cluster has the most significant impact, introducing large systematic deviations in all the statistics. For a simple 'top-hat' selection function, an idealized survey extending to ˜160 h-1 Mpc or deeper is needed to completely mitigate the effects of the local environment. Using shallower catalogues leads to systematic deviations of the order of 50-200 per cent depending on the scale considered. For a flat redshift distribution similar to the one of the CosmicFlows-3 survey, the deviations are even more prominent in both the shape and amplitude at all separations considered (≲100 h-1 Mpc). Conclusions based on statistics calculated without taking into account the impact of the local environment should be revisited.

Sources of Local Time Asymmetries in Magnetodiscs

NASA Astrophysics Data System (ADS)

Arridge, C. S.; Kane, M.; Sergis, N.; Khurana, K. K.; Jackman, C. M.

2015-04-01

The rapidly rotating magnetospheres at Jupiter and Saturn contain a near-equatorial thin current sheet over most local times known as the magnetodisc, resembling a wrapped-up magnetotail. The Pioneer, Voyager, Ulysses, Galileo, Cassini and New Horizons spacecraft at Jupiter and Saturn have provided extensive datasets from which to observationally identify local time asymmetries in these magnetodiscs. Imaging in the infrared and ultraviolet from ground- and space-based instruments have also revealed the presence of local time asymmetries in the aurora which therefore must map to local time asymmetries in the magnetosphere. Asymmetries are found in (i) the configuration of the magnetic field and magnetospheric currents, where a thicker disc is found in the noon and dusk sectors; (ii) plasma flows where the plasma flow has local time-dependent radial components; (iii) a thicker plasma sheet in the dusk sector. Many of these features are also reproduced in global MHD simulations. Several models have been developed to interpret these various observations and typically fall into two groups: ones which invoke coupling with the solar wind (via reconnection or viscous processes) and ones which invoke internal rotational processes operating inside an asymmetrical external boundary. In this paper we review these observational in situ findings, review the models which seek to explain them, and highlight open questions and directions for future work.

Pathways of Atlantic Waters in the Nordic seas: locally eddy-permitting ocean simulation in a global setup

NASA Astrophysics Data System (ADS)

Wekerle, C.; Wang, Q.; Danilov, S.; Jung, T.; Schourup-Kristensen, V.

2016-02-01

Atlantic Water (AW) passes through the Nordic Seas and enters the Arctic Ocean through the shallow Barents Sea and the deep Fram Strait. Since the 1990's, observations indicate a series of anomalously warm pulses of Atlantic Water that entered the Arctic Ocean. In fact, poleward oceanic heat transport may even increase in the future, which might have implications for the heat uptake in the Arctic Ocean as well as for the sea ice cover. The ability of models to faithfully simulate the pathway of the AW and accompanying dynamics is thus of high climate relevance. In this study, we explore the potential of a global multi-resolution sea ice-ocean model with a locally eddy-permitting resolution (around 4.5 km) in the Nordic seas region and Arctic Ocean in improving the representation of Atlantic Water inflow, and more broadly, the dynamics of the circulation in the Northern North Atlantic and Arctic. The simulation covers the time period 1969-2009. We find that locally increased resolution improves the localization and thickness of the Atlantic Water layer in the Nordic seas, compared with a 20 km resolution reference simulation. In particular, the inflow of Atlantic Waters through the Greenland Scotland Ridge and the narrow branches of the Norwegian Atlantic Current can be realistically represented. Lateral spreading due to simulated eddies essentially reduces the bias in the surface temperature. In addition, a qualitatively good agreement of the simulated eddy kinetic energy field with observations can be achieved. This study indicates that a substantial improvement in representing local ocean dynamics can be reached through the local refinement, which requires a rather moderate computational effort. The successful model assessment allows us to further investigate the variability and mechanisms behind Atlantic Water transport into the Arctic Ocean.

Integrated HI emission in galaxy groups and clusters

NASA Astrophysics Data System (ADS)

Ai, Mei; Zhu, Ming; Fu, Jian

2017-09-01

The integrated HI emission from hierarchical structures such as groups and clusters of galaxies can be detected by FAST at intermediate redshifts. Here we propose to use FAST to study the evolution of the global HI content of clusters and groups over cosmic time by measuring their integrated HI emissions. We use the Virgo Cluster as an example to estimate the detection limit of FAST, and have estimated the integration time to detect a Virgo type cluster at different redshifts (from z = 0.1 to z = 1.5).We have also employed a semi-analytic model (SAM) to simulate the evolution of HI contents in galaxy clusters. Our simulations suggest that the HI mass of a Virgo-like cluster could be 2-3 times higher and the physical size could be more than 50% smaller when redshift increases from z = 0.3 to z = 1. Thus the integration time could be reduced significantly and gas rich clusters at intermediate redshifts can be detected by FAST in less than 2 hours of integration time. For the local Universe, we have also used SAM simulations to create mock catalogs of clusters to predict the outcomes from FAST all sky surveys. Comparing with the optically selected catalogs derived by cross matching the galaxy catalogs from the SDSS survey and the ALFALFA survey, we find that the HI mass distribution of the mock catalog with 20 s of integration time agrees well with that of observations. However, the mock catalog with 120 s of integration time predicts many more groups and clusters that contain a population of low mass HI galaxies not detected by the ALFALFA survey. A future deep HI blind sky survey with FAST would be able to test such prediction and set constraints on the numerical simulation models. The observational strategy and sample selections for future FAST observations of galaxy clusters at high redshifts are also discussed.

Spatial spreading of infectious disease via local and national mobility networks in South Korea

NASA Astrophysics Data System (ADS)

Kwon, Okyu; Son, Woo-Sik

2017-12-01

We study the spread of infectious disease based on local- and national-scale mobility networks. We construct a local mobility network using data on urban bus services to estimate local-scale movement of people. We also construct a national mobility network from orientation-destination data of vehicular traffic between highway tollgates to evaluate national-scale movement of people. A metapopulation model is used to simulate the spread of epidemics. Thus, the number of infected people is simulated using a susceptible-infectious-recovered (SIR) model within the administrative division, and inter-division spread of infected people is determined through local and national mobility networks. In this paper, we consider two scenarios for epidemic spread. In the first, the infectious disease only spreads through local-scale movement of people, that is, the local mobility network. In the second, it spreads via both local and national mobility networks. For the former, the simulation results show infected people sequentially spread to neighboring divisions. Yet for the latter, we observe a faster spreading pattern to distant divisions. Thus, we confirm the national mobility network enhances synchronization among the incidence profiles of all administrative divisions.

Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulations

NASA Astrophysics Data System (ADS)

Hsieh, Min-Kang; Lin, Shiang-Tai

2009-12-01

Molecular dynamics simulations are performed to study the initial structural development in poly(trimethylene terephthalate) (PTT) when quenched below its melting point. The development of local ordering has been observed in our simulations. The thermal properties, such as the glass transition temperature (Tg) and the melting temperature (Tm), determined from our simulations are in reasonable agreement with experimental values. It is found that, between these two temperatures, the number of local structures quickly increases during the thermal relaxation period soon after the system is quenched and starts to fluctuate afterwards. The formation and development of local structures is found to be driven mainly by the torsional and van der Waals forces and follows the classical nucleation-growth mechanism. The variation of local structures' fraction with temperature exhibits a maximum between Tg and Tm, resembling the temperature dependence of the crystallization rate for most polymers. In addition, the backbone torsion distribution for segments within the local structures preferentially reorganizes to the trans-gauche-gauche-trans (t-g-g-t) conformation, the same as that in the crystalline state. As a consequence, we believe that such local structural ordering could be the baby nuclei that have been suggested to form in the early stage of polymer crystallization.

Local mechanical properties of LFT injection molded parts: Numerical simulations versus experiments

NASA Astrophysics Data System (ADS)

Desplentere, F.; Soete, K.; Bonte, H.; Debrabandere, E.

2014-05-01

In predictive engineering for polymer processes, the proper prediction of material microstructure from known processing conditions and constituent material properties is a critical step forward properly predicting bulk properties in the finished composite. Operating within the context of long-fiber thermoplastics (LFT, length < 15mm) this investigation concentrates on the prediction of the local mechanical properties of an injection molded part. To realize this, the Autodesk Simulation Moldflow Insight 2014 software has been used. In this software, a fiber breakage algorithm for the polymer flow inside the mold is available. Using well known micro mechanic formulas allow to combine the local fiber length with the local orientation into local mechanical properties. Different experiments were performed using a commercially available glass fiber filled compound to compare the measured data with the numerical simulation results. In this investigation, tensile tests and 3 point bending tests are considered. To characterize the fiber length distribution of the polymer melt entering the mold (necessary for the numerical simulations), air shots were performed. For those air shots, similar homogenization conditions were used as during the injection molding tests. The fiber length distribution is characterized using automated optical method on samples for which the matrix material is burned away. Using the appropriate settings for the different experiments, good predictions of the local mechanical properties are obtained.

Simulation and testing of a multichannel system for 3D sound localization

NASA Astrophysics Data System (ADS)

Matthews, Edward Albert

Three-dimensional (3D) audio involves the ability to localize sound anywhere in a three-dimensional space. 3D audio can be used to provide the listener with the perception of moving sounds and can provide a realistic listening experience for applications such as gaming, video conferencing, movies, and concerts. The purpose of this research is to simulate and test 3D audio by incorporating auditory localization techniques in a multi-channel speaker system. The objective is to develop an algorithm that can place an audio event in a desired location by calculating and controlling the gain factors of each speaker. A MATLAB simulation displays the location of the speakers and perceived sound, which is verified through experimentation. The scenario in which the listener is not equidistant from each of the speakers is also investigated and simulated. This research is envisioned to lead to a better understanding of human localization of sound, and will contribute to a more realistic listening experience.

The variance of the locally measured Hubble parameter explained with different estimators

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

Odderskov, Io; Hannestad, Steen; Brandbyge, Jacob, E-mail: isho07@phys.au.dk, E-mail: sth@phys.au.dk, E-mail: jacobb@phys.au.dk

We study the expected variance of measurements of the Hubble constant, H {sub 0}, as calculated in either linear perturbation theory or using non-linear velocity power spectra derived from N -body simulations. We compare the variance with that obtained by carrying out mock observations in the N-body simulations, and show that the estimator typically used for the local Hubble constant in studies based on perturbation theory is different from the one used in studies based on N-body simulations. The latter gives larger weight to distant sources, which explains why studies based on N-body simulations tend to obtain a smaller variancemore » than that found from studies based on the power spectrum. Although both approaches result in a variance too small to explain the discrepancy between the value of H {sub 0} from CMB measurements and the value measured in the local universe, these considerations are important in light of the percent determination of the Hubble constant in the local universe.« less

Simulation of Fatigue Crack Initiation at Corrosion Pits With EDM Notches

NASA Technical Reports Server (NTRS)

Smith, Stephen W.; Newman, John A.; Piascik, Robert S.

2003-01-01

Uniaxial fatigue tests were conducted to compare the fatigue life of laboratory produced corrosion pits, similar to those observed in the shuttle main landing gear wheel bolt-hole, and an electro-discharged-machined (EDM) flaw. EDM Jaws are used to simulate corrosion pits during shuttle wheel (dynamometer) testing. The aluminum alloy, (AA 7050) laboratory fatigue tests were conducted to simulate the local stress level contained in the wheel bolt-hole. Under this high local stress condition, the EDM notch produced a fatigue life similar to test specimens containing corrosion pits of similar size. Based on the laboratory fatigue test results, the EDM Jaw (semi-circular disc shaped) produces a local stress state similar to corrosion pits and can be used to simulate a corrosion pit during the shuttle wheel dynamometer tests.

A geometric initial guess for localized electronic orbitals in modular biological systems

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

Beckman, P. G.; Fattebert, J. L.; Lau, E. Y.

Recent first-principles molecular dynamics algorithms using localized electronic orbitals have achieved O(N) complexity and controlled accuracy in simulating systems with finite band gaps. However, accurately deter- mining the centers of these localized orbitals during simulation setup may require O(N 3) operations, which is computationally infeasible for many biological systems. We present an O(N) approach for approximating orbital centers in proteins, DNA, and RNA which uses non-localized solutions for a set of fixed-size subproblems to create a set of geometric maps applicable to larger systems. This scalable approach, used as an initial guess in the O(N) first-principles molecular dynamics code MGmol,more » facilitates first-principles simulations in biological systems of sizes which were previously impossible.« less

The Future of Drought in the Southeastern U.S.: Projections from downscaled CMIP5 models

NASA Astrophysics Data System (ADS)

Keellings, D.; Engstrom, J.

2017-12-01

The Southeastern U.S. has been repeatedly impacted by severe droughts that have affected the environment and economy of the region. In this study the ability of 32 downscaled CMIP5 models, bias corrected using localized constructed analogs (LOCA), to simulate historical observations of dry spells from 1950-2005 are assessed using Perkins skill scores and significance tests. The models generally simulate the distribution of dry days well but there are significant differences between the ability of the best and worst performing models, particularly when it comes to the upper tail of the distribution. The best and worst performing models are then projected through 2099, using RCP 4.5 and 8.5, and estimates of 20 year return periods are compared. Only the higher skill models provide a good estimate of extreme dry spell lengths with simulations of 20 year return values within ± 5 days of observed values across the region. Projected return values differ by model grouping, but all models exhibit significant increases.

Dust emission in simulated dwarf galaxies using GRASIL-3D

NASA Astrophysics Data System (ADS)

Santos-Santos, I. M.; Domínguez-Tenreiro, R.; Granato, G. L.; Brook, C. B.; Obreja, A.

2017-03-01

Recent Herschel observations of dwarf galaxies have shown a wide diversity in the shapes of their IR-submm spectral energy distributions as compared to more massive galaxies, presenting features that cannot be explained with the current models. In order to understand the physics driving these differences, we have computed the emission of a sample of simulated dwarf galaxies using the radiative transfer code GRASIL-3D. This code separately treats the radiative transfer in dust grains from molecular clouds and cirri. The simulated galaxies have masses ranging from 10^6-10^9 M_⊙ and have evolved within a Local Group environment by using CLUES initial conditions. We show that their IR band luminosities are in agreement with observations, with their SEDs reproducing naturally the particular spectral features observed. We conclude that the GRASIL-3D two-component model gives a physical interpretation to the emission of dwarf galaxies, with molecular clouds (cirri) as the warm (cold) dust components needed to recover observational data.

Local Order-Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid.

PubMed

Faria, Luiz F O; Paschoal, Vitor H; Lima, Thamires A; Ferreira, Fabio F; Freitas, Rafael S; Ribeiro, Mauro C C

2017-10-26

A local order-disorder transition has been disclosed in the thermophysical behavior of the ionic liquid 1-benzyl-3-methylimidazolium dicyanamide, [Bzmim][N(CN) 2 ], and its microscopic nature revealed by spectroscopic techniques. Differential scanning calorimetry and specific heat measurements show a thermal event of small enthalpy variation taking place in the range 250-260 K, which is not due to crystallization or melting. Molecular dynamic simulations and X-ray diffraction measurements have been used to discuss the segregation of domains in the liquid structure of [Bzmim][N(CN) 2 ]. Raman and NMR spectroscopy measurements as a function of temperature indicate that the microscopic origin of the event observed in the calorimetric measurements comes from structural rearrangement involving the benzyl group. The results indicate that the characteristic structural heterogeneity allow for rearrangements within local domains implying the good glass-forming ability for the low viscosity ionic liquid [Bzmim][N(CN) 2 ]. This work sheds light on our understanding of the microscopic origin behind complex thermal behavior of ionic liquids.

Mapping local orientation of aligned fibrous scatterers for cancerous tissues using backscattering Mueller matrix imaging

NASA Astrophysics Data System (ADS)

He, Honghui; Sun, Minghao; Zeng, Nan; Du, E.; Liu, Shaoxiong; Guo, Yihong; Wu, Jian; He, Yonghong; Ma, Hui

2014-10-01

Polarization measurements are sensitive to the microstructure of tissues and can be used to detect pathological changes. Many tissues contain anisotropic fibrous structures. We obtain the local orientation of aligned fibrous scatterers using different groups of the backscattering Mueller matrix elements. Experiments on concentrically well-aligned silk fibers and unstained human papillary thyroid carcinoma tissues show that the m22, m33, m23, and m32 elements have better contrast but higher degeneracy for the extraction of orientation angles. The m12 and m13 elements show lower contrast, but allow us to determine the orientation angle for the fibrous scatterers along all directions. Moreover, Monte Carlo simulations based on the sphere-cylinder scattering model indicate that the oblique incidence of the illumination beam introduces some errors in the orientation angles obtained by both methods. Mapping the local orientation of anisotropic tissues may not only provide information on pathological changes, but can also give new leads to reduce the orientation dependence of polarization measurements.

SPIN ALIGNMENTS OF SPIRAL GALAXIES WITHIN THE LARGE-SCALE STRUCTURE FROM SDSS DR7

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

Zhang, Youcai; Yang, Xiaohu; Luo, Wentao

Using a sample of spiral galaxies selected from the Sloan Digital Sky Survey Data Release 7 and Galaxy Zoo 2, we investigate the alignment of spin axes of spiral galaxies with their surrounding large-scale structure, which is characterized by the large-scale tidal field reconstructed from the data using galaxy groups above a certain mass threshold. We find that the spin axes only have weak tendencies to be aligned with (or perpendicular to) the intermediate (or minor) axis of the local tidal tensor. The signal is the strongest in a cluster environment where all three eigenvalues of the local tidal tensor aremore » positive. Compared to the alignments between halo spins and the local tidal field obtained in N-body simulations, the above observational results are in best agreement with those for the spins of inner regions of halos, suggesting that the disk material traces the angular momentum of dark matter halos in the inner regions.« less

Towards Quantum Simulation of the 2D Fermi Hubbard Model - Development of a Local Probe of Density and Spin Ordering

DTIC Science & Technology

2013-10-24

cooled both fermionic and bosonic isotopes of potassium. In related work, a group at Rice University showed that the analogous transition could be used in...changed from their in situ distributions. The top row shows bosonic 39K, and the bottom row shows fermionic 40K. The most exciting application of this...using a sub-micron period to allow for tunneling transport. Both of these pio- neering experiments used bosonic 87Rb. Our experiment is built to be a

Star formation in proto dwarf galaxies

NASA Technical Reports Server (NTRS)

Noriega-Crespo, A.; Bodenheimer, P.; Lin, D. N. C.; Tenorio-Tagle, G.

1990-01-01

The effects of the onset of star formation on the residual gas in primordial low-mass Local-Group dwarf spheroidal galaxies is studied by a series of hydrodynamical simulations. The models have concentrated on the effect of photoionization. The results indicate that photoionization in the presence of a moderate gas density gradient can eject most of the residual gas on a time scale of a few 10 to the 7th power years. High central gas density combined with inefficient star formation, however, may prevent mass ejection. The effect of supernova explosions is discussed briefly.

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Idrissi, Abdenacer; Marekha, Bogdan A.; Barj, Mohammed; Miannay, François Alexandre; Takamuku, Toshiyuki; Raptis, Vasilios; Samios, Jannis; Jedlovszky, Pál

2017-06-01

The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as the solvation process of proteins and amino acids. Classical MD simulations, using the potential model combination that best reproduces the free energy of mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are observed around the DMSO mole fraction of 0.1. The array of evidence, based on the cluster and the metric and topological parameters of the Voronoi polyhedra distributions, indicates that these changes are associated with the simultaneous increase of the number of DMSO-water and decrease of water-water hydrogen bonds with increasing DMSO concentration. The inversion between the dominance of these two types of H-bonds occurs around XDMSO = 0.1, above which the DMSO-DMSO interactions also start playing an important role. In other words, below the DMSO mole fraction of 0.1, DMSO molecules are mainly solvated by water molecules, while above it, their solvation shell consists of a mixture of water and DMSO. The trigonal, tetrahedral, and trigonal bipyramidal distributions of water shift to lower corresponding order parameter values indicating the loosening of these orientations. Adding DMSO does not affect the hydrogen bonding between a reference water molecule and its first neighbor hydrogen bonded water molecules, while it increases the bent hydrogen bond geometry involving the second ones. The close-packed local structure of the third, fourth, and fifth water neighbors also is reinforced. In accordance with previous theoretical and experimental data, the hydrogen bonding between water and the first, the second, and the third DMSO neighbors is stronger than that with its corresponding water neighbors. At a given DMSO mole fraction, the behavior of the intensity of the high orientational order parameter values indicates that water molecules are more ordered in the vicinity of the hydrophilic group while their structure is close-packed near the hydrophobic group of DMSO.

Cosine Kuramoto Based Distribution of a Convoy with Limit-Cycle Obstacle Avoidance Through the Use of Simulated Agents

NASA Astrophysics Data System (ADS)

Howerton, William

This thesis presents a method for the integration of complex network control algorithms with localized agent specific algorithms for maneuvering and obstacle avoidance. This method allows for successful implementation of group and agent specific behaviors. It has proven to be robust and will work for a variety of vehicle platforms. Initially, a review and implementation of two specific algorithms will be detailed. The first, a modified Kuramoto model was developed by Xu [1] which utilizes tools from graph theory to efficiently perform the task of distributing agents. The second algorithm developed by Kim [2] is an effective method for wheeled robots to avoid local obstacles using a limit-cycle navigation method. The results of implementing these methods on a test-bed of wheeled robots will be presented. Control issues related to outside disturbances not anticipated in the original theory are then discussed. A novel method of using simulated agents to separate the task of distributing agents from agent specific velocity and heading commands has been developed and implemented to address these issues. This new method can be used to combine various behaviors and is not limited to a specific control algorithm.

Stochastic locality and master-field simulations of very large lattices

NASA Astrophysics Data System (ADS)

Lüscher, Martin

2018-03-01

In lattice QCD and other field theories with a mass gap, the field variables in distant regions of a physically large lattice are only weakly correlated. Accurate stochastic estimates of the expectation values of local observables may therefore be obtained from a single representative field. Such master-field simulations potentially allow very large lattices to be simulated, but require various conceptual and technical issues to be addressed. In this talk, an introduction to the subject is provided and some encouraging results of master-field simulations of the SU(3) gauge theory are reported.

Kinematic imprints from the bar and spiral structures in the galatic disk

NASA Astrophysics Data System (ADS)

Figueras, F.; Antoja, T.; Valenzuela, O.; Romero-Gómez, M.; Pichardo, B.; Moreno, E.

2011-12-01

At 140 years of the discovery of the moving groups, these stellar streams are emerging as powerful tools to constrain the models for the spiral arms and the Galactic bar in the Gaia era. From the kinematic-age-metallicity analysis in the solar neighbourhood it is now well established that some of these kinematic structures have a dynamical origin, different from the classical cluster disruption hypothesis. Test particle simulations allow us to definitively establish that these local structures can be created by the dynamical resonances of material spiral arms and not exclusively by the Galactic bar. First studies to evaluate the capabilities of the future Gaia data to detect and characterize moving groups at 2-6 kpc from the solar neighborhood are discussed.

Low resolution brain electromagnetic tomography in a realistic geometry head model: a simulation study

NASA Astrophysics Data System (ADS)

Ding, Lei; Lai, Yuan; He, Bin

2005-01-01

It is of importance to localize neural sources from scalp recorded EEG. Low resolution brain electromagnetic tomography (LORETA) has received considerable attention for localizing brain electrical sources. However, most such efforts have used spherical head models in representing the head volume conductor. Investigation of the performance of LORETA in a realistic geometry head model, as compared with the spherical model, will provide useful information guiding interpretation of data obtained by using the spherical head model. The performance of LORETA was evaluated by means of computer simulations. The boundary element method was used to solve the forward problem. A three-shell realistic geometry (RG) head model was constructed from MRI scans of a human subject. Dipole source configurations of a single dipole located at different regions of the brain with varying depth were used to assess the performance of LORETA in different regions of the brain. A three-sphere head model was also used to approximate the RG head model, and similar simulations performed, and results compared with the RG-LORETA with reference to the locations of the simulated sources. Multi-source localizations were discussed and examples given in the RG head model. Localization errors employing the spherical LORETA, with reference to the source locations within the realistic geometry head, were about 20-30 mm, for four brain regions evaluated: frontal, parietal, temporal and occipital regions. Localization errors employing the RG head model were about 10 mm over the same four brain regions. The present simulation results suggest that the use of the RG head model reduces the localization error of LORETA, and that the RG head model based LORETA is desirable if high localization accuracy is needed.

Neutron Capture Energies for Flux Normalization and Approximate Model for Gamma-Smeared Power

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

Kim, Kang Seog; Clarno, Kevin T.; Liu, Yuxuan

The Consortium for Advanced Simulation of Light Water Reactors (CASL) Virtual Environment for Reactor Applications (VERA) neutronics simulator MPACT has used a single recoverable fission energy for each fissionable nuclide assuming that all recoverable energies come only from fission reaction, for which capture energy is merged with fission energy. This approach includes approximations and requires improvement by separating capture energy from the merged effective recoverable energy. This report documents the procedure to generate recoverable neutron capture energies and the development of a program called CapKappa to generate capture energies. Recoverable neutron capture energies have been generated by using CapKappa withmore » the evaluated nuclear data file (ENDF)/B-7.0 and 7.1 cross section and decay libraries. The new capture kappas were compared to the current SCALE-6.2 and the CASMO-5 capture kappas. These new capture kappas have been incorporated into the Simplified AMPX 51- and 252-group libraries, and they can be used for the AMPX multigroup (MG) libraries and the SCALE code package. The CASL VERA neutronics simulator MPACT does not include a gamma transport capability, which limits it to explicitly estimating local energy deposition from fission, neutron, and gamma slowing down and capture. Since the mean free path of gamma rays is typically much longer than that for the neutron, and the total gamma energy is about 10% to the total energy, the gamma-smeared power distribution is different from the fission power distribution. Explicit local energy deposition through neutron and gamma transport calculation is significantly important in multi-physics whole core simulation with thermal-hydraulic feedback. Therefore, the gamma transport capability should be incorporated into the CASL neutronics simulator MPACT. However, this task will be timeconsuming in developing the neutron induced gamma production and gamma cross section libraries. This study is to investigate an approximate model to estimate gammasmeared power distribution without performing any gamma transport calculation. A simple approximate gamma smearing model has been investigated based on the facts that pinwise gamma energy depositions are almost flat over a fuel assembly, and assembly-wise gamma energy deposition is proportional to kappa-fission energy deposition. The approximate gamma smearing model works well for single assembly cases, and can partly improve the gamma smeared power distribution for the whole core model. Although the power distributions can be improved by the approximate gamma smearing model, still there is an issue to explicitly obtain local energy deposition. A new simple approach or gamma transport/diffusion capability may need to be incorporated into MPACT to estimate local energy deposition for more robust multi-physics simulation.« less

Bond-valence methods for pKa prediction. II. Bond-valence, electrostatic, molecular geometry, and solvation effects

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

Bickmore, Barry R.; Rosso, Kevin M.; Tadanier, Christopher J.

2006-08-15

In a previous contribution, we outlined a method for predicting (hydr)oxy-acid and oxide surface acidity constants based on three main factors: bond valence, Me?O bond ionicity, and molecular shape. Here electrostatics calculations and ab initio molecular dynamics simulations are used to qualitatively show that Me?O bond ionicity controls the extent to which the electrostatic work of proton removal departs from ideality, bond valence controls the extent of solvation of individual functional groups, and bond valence and molecular shape controls local dielectric response. These results are consistent with our model of acidity, but completely at odds with other methods of predictingmore » acidity constants for use in multisite complexation models. In particular, our ab initio molecular dynamics simulations of solvated monomers clearly indicate that hydrogen bonding between (hydr)oxo-groups and water molecules adjusts to obey the valence sum rule, rather than maintaining a fixed valence based on the coordination of the oxygen atom as predicted by the standard MUSIC model.« less

Stochastic simulation of biological reactions, and its applications for studying actin polymerization.

PubMed

Ichikawa, Kazuhisa; Suzuki, Takashi; Murata, Noboru

2010-11-30

Molecular events in biological cells occur in local subregions, where the molecules tend to be small in number. The cytoskeleton, which is important for both the structural changes of cells and their functions, is also a countable entity because of its long fibrous shape. To simulate the local environment using a computer, stochastic simulations should be run. We herein report a new method of stochastic simulation based on random walk and reaction by the collision of all molecules. The microscopic reaction rate P(r) is calculated from the macroscopic rate constant k. The formula involves only local parameters embedded for each molecule. The results of the stochastic simulations of simple second-order, polymerization, Michaelis-Menten-type and other reactions agreed quite well with those of deterministic simulations when the number of molecules was sufficiently large. An analysis of the theory indicated a relationship between variance and the number of molecules in the system, and results of multiple stochastic simulation runs confirmed this relationship. We simulated Ca²(+) dynamics in a cell by inward flow from a point on the cell surface and the polymerization of G-actin forming F-actin. Our results showed that this theory and method can be used to simulate spatially inhomogeneous events.

Critical asymmetry in renormalization group theory for fluids.

PubMed

Zhao, Wei; Wu, Liang; Wang, Long; Li, Liyan; Cai, Jun

2013-06-21

The renormalization-group (RG) approaches for fluids are employed to investigate critical asymmetry of vapour-liquid equilibrium (VLE) of fluids. Three different approaches based on RG theory for fluids are reviewed and compared. RG approaches are applied to various fluid systems: hard-core square-well fluids of variable ranges, hard-core Yukawa fluids, and square-well dimer fluids and modelling VLE of n-alkane molecules. Phase diagrams of simple model fluids and alkanes described by RG approaches are analyzed to assess the capability of describing the VLE critical asymmetry which is suggested in complete scaling theory. Results of thermodynamic properties obtained by RG theory for fluids agree with the simulation and experimental data. Coexistence diameters, which are smaller than the critical densities, are found in the RG descriptions of critical asymmetries of several fluids. Our calculation and analysis show that the approach coupling local free energy with White's RG iteration which aims to incorporate density fluctuations into free energy is not adequate for VLE critical asymmetry due to the inadequate order parameter and the local free energy functional used in the partition function.

Does the baricity of bupivacaine influence intrathecal spread in the prolonged sitting position before elective cesarean delivery? A prospective randomized controlled study.

PubMed

Loubert, Christian; Hallworth, Stephen; Fernando, Roshan; Columb, Malachy; Patel, Nisa; Sarang, Kavita; Sodhi, Vinnie

2011-10-01

Difficulties in inserting an epidural catheter while performing combined spinal-epidural anesthesia for cesarean delivery may lead to undue delays between the spinal injection of the local anesthetic mixture and the adoption of the supine position with lateral tilt. We hypothesized that this delay may affect the intrathecal distribution of local anesthetic of different baricities such that hypobaric local anesthetic would lead to a higher sensory block level. Healthy parturients with uncomplicated pregnancies undergoing elective cesarean delivery under combined spinal-epidural anesthesia were enrolled in this prospective double-blind randomized controlled trial. The subjects were allocated to receive hyperbaric (hyperbaric group), isobaric (isobaric group), or hypobaric (hypobaric group) spinal bupivacaine 10 mg. After the spinal injection, the subjects remained in the sitting position for 5 minutes (to simulate difficulty in inserting the epidural catheter) before being helped into the supine lateral tilt position. The primary outcome was the sensory block level during the 25 minutes after the spinal injection. Other end points included motor block score, maternal hypotension, and vasopressor requirements. Data from 89 patients were analyzed. Patient characteristics were similar in all groups. The median [interquartile range] (95% confidence interval) sensory levels after spinal injection were significantly higher with decreasing baricity: hyperbaric T10 [T11-8] (T10-9), isobaric T9 [T10-7] (T9-7), and hypobaric T6 [T8-4] (T8-5) (P < 0.001, Cuzick trend). All patients in the hypobaric group reached a sensory block level of T4 at 25 minutes after spinal injection compared with 80% of the patients in both the isobaric and hyperbaric groups (P = 0.04; difference 20%, 95% confidence interval of difference 4%-33%). Significantly more patients in the hypobaric group had complete lower limb motor block (Bromage score = 4) (hyperbaric 43%, isobaric 63%, and hypobaric 90%; P < 0.001). The incidences of maternal hypotension and nausea and vomiting were similar among groups, although the ephedrine requirements were significantly increased in the isobaric and hypobaric groups by factors of 1.83 and 3.0, respectively, compared with the hyperbaric group (P < 0.001, Cuzick trend). We demonstrated that when parturients undergoing cesarean delivery were maintained in the sitting position for 5 minutes after spinal injection of the local anesthetic, hypobaric bupivacaine resulted in sensory block levels that were higher compared with isobaric and hyperbaric bupivacaine, respectively, during the study period.

Three-dimensional numerical simulations of local scouring around bridge piers

USDA-ARS?s Scientific Manuscript database

This paper presents a novel numerical method for simulating local scouring around bridge piers using a three-dimensional free-surface RANS turbulent flow model. Strong turbulent fluctuations and the down-flows around the bridge pier are considered important factors in scouring the bed. The turbulent...

'Simulation-based learning in psychiatry for undergraduates at the University of Zimbabwe medical school'.

PubMed

Piette, Angharad; Muchirahondo, Florence; Mangezi, Walter; Iversen, Amy; Cowan, Frances; Dube, Michelle; Peterkin, Hugh Grant-; Araya, Ricardo; Abas, Melanie

2015-02-21

The use of simulated patients to teach in psychiatry has not been reported from low-income countries. This is the first study using simulation teaching in psychiatry in Africa. The aim of this study was to introduce a novel method of psychiatric teaching to medical students at the University of Zimbabwe and assess its feasibility and preliminary effectiveness. We selected depression to simulate because students in Zimbabwe are most likely to see cases of psychoses during their ward-based clinical exposure. Zimbabwean psychiatrists adapted scenarios on depression and suicide based on ones used in London. Zimbabwean post-graduate trainee psychiatrists were invited to carry out the teaching and psychiatric nursing staff were recruited and trained in one hour to play the simulated patients (SPs). All students undertaking their psychiatry placement (n = 30) were allocated into groups for a short didactic lecture on assessing for clinical depression and then rotated around 3 scenarios in groups of 4-5 and asked to interview a simulated patient with signs of depression. Students received feedback from peers, SPs and facilitators. Students completed the Confidence in Assessing and Managing Depression (CAM-D) questionnaire before and after the simulation session and provided written free-text feedback. Post-graduate trainers, together with one consultant, facilitated the simulated teaching after three hours training. Student confidence scores increased from mean 15.90 to 20.05 (95% CI = 2.58- 5.71) t (20) = 5.52, (p > 0.0001) following the simulation teaching session. Free-text feedback was positive overall with students commenting that it was "helpful", "enjoyable" and "boosted confidence". In Zimbabwe, simulation teaching was acceptable and could be adapted with minimal effort by local psychiatrists and implemented by post-graduate trainees and one consultant, Students found it helpful and enjoyable and their confidence increased after the teaching. It offers students a broader exposure to psychiatric conditions than they receive during clinical attachment to the inpatient wards. Involving psychiatry trainees and nursing staff may be a sustainable approach in a setting with small number of consultants and limited funds to pay for professional actors.

KENNEDY SPACE CENTER, FLA. - A rescue team carries an “injured” astronaut toward the helicopter for transportation to a local hospital. They are all taking part in a “Mode VII” emergency landing simulation at Kennedy Space Center. The purpose of the Mode VII is to exercise emergency preparedness personnel, equipment and facilities in rescuing astronauts from a downed orbiter and providing immediate medical attention. This simulation presents an orbiter that has crashed short of the Shuttle Landing Facility in a wooded area 2-1/2 miles south of Runway 33. Emergency crews are responding to the volunteer astronauts who are simulating various injuries inside the crew compartment mock-up. Rescuers must remove the crew, provide triage and transport to hospitals those who need further treatment. Local hospitals are participating in the exercise. Emergency crews are responding to the volunteer astronauts who are simulating various injuries inside the crew compartment mock-up. Rescuers must remove the crew, provide triage and transport to hospitals those who need further treatment. Local hospitals are participating in the exercise.

NASA Image and Video Library

2004-02-18

KENNEDY SPACE CENTER, FLA. - A rescue team carries an “injured” astronaut toward the helicopter for transportation to a local hospital. They are all taking part in a “Mode VII” emergency landing simulation at Kennedy Space Center. The purpose of the Mode VII is to exercise emergency preparedness personnel, equipment and facilities in rescuing astronauts from a downed orbiter and providing immediate medical attention. This simulation presents an orbiter that has crashed short of the Shuttle Landing Facility in a wooded area 2-1/2 miles south of Runway 33. Emergency crews are responding to the volunteer astronauts who are simulating various injuries inside the crew compartment mock-up. Rescuers must remove the crew, provide triage and transport to hospitals those who need further treatment. Local hospitals are participating in the exercise. Emergency crews are responding to the volunteer astronauts who are simulating various injuries inside the crew compartment mock-up. Rescuers must remove the crew, provide triage and transport to hospitals those who need further treatment. Local hospitals are participating in the exercise.

Simulators for training in ultrasound guided procedures.

PubMed

Farjad Sultan, Syed; Shorten, George; Iohom, Gabrielle

2013-06-01

The four major categories of skill sets associated with proficiency in ultrasound guided regional anaesthesia are 1) understanding device operations, 2) image optimization, 3) image interpretation and 4) visualization of needle insertion and injection of the local anesthetic solution. Of these, visualization of needle insertion and injection of local anaesthetic solution can be practiced using simulators and phantoms. This survey of existing simulators summarizes advantages and disadvantages of each. Current deficits pertain to the validation process.

Modeling of Instrument Landing System (ILS) localizer signal on runway 25L at Los Angeles International Airport

NASA Technical Reports Server (NTRS)

Hueschen, Richard M.; Knox, Charles E.

1994-01-01

A joint NASA/FAA flight test has been made to record instrument landing system (ILS) localizer receiver signals for use in mathematically modeling the ILS localizer for future simulation studies and airplane flight tracking tasks. The flight test was conducted on a portion of the ILS localizer installed on runway 25L at the Los Angeles International Airport. The tests covered the range from 10 to 32 n.mi. from the localizer antenna. Precision radar tracking information was compared with the recorded localizer deviation data. Data analysis showed that the ILS signal centerline was offset to the left of runway centerline by 0.071 degrees and that no significant bends existed on the localizer beam. Suggested simulation models for the ILS localizer are formed from a statistical analysis.

Nitty-Gritty Federalism: Managing Solid Waste. Teaching Strategy.

ERIC Educational Resources Information Center

LaRocco, Joseph C.; Gregori, Harry E., Jr.

1995-01-01

Outlines the lesson plan that uses the issue of solid waste disposal to examine the relationship between local, state, and federal governments. Handouts include a quiz on solid waste management, an information sheet, and a simulation of a local problem. The simulation involves the location of a hazardous waste site. (MJP)

The influence on response of axial rotation of a six-group local-conductance probe in horizontal oil-water two-phase flow

NASA Astrophysics Data System (ADS)

Weihang, Kong; Lingfu, Kong; Lei, Li; Xingbin, Liu; Tao, Cui

2017-06-01

Water volume fraction is an important parameter of two-phase flow measurement, and it is an urgent task for accurate measurement in horizontal oil field development and optimization of oil production. The previous ring-shaped conductance water-cut meter cannot obtain the response values corresponding to the oil field water conductivity for oil-water two-phase flow in horizontal oil-producing wells characterized by low yield liquid, low velocity and high water cut. Hence, an inserted axisymmetric array structure sensor, i.e. a six-group local-conductance probe (SGLCP), is proposed in this paper. Firstly, the electric field distributions generated by the exciting electrodes of SGLCP are investigated by the finite element method (FEM), and the spatial sensitivity distributions of SGLCP are analyzed from the aspect of different separations between two electrodes and different axial rotation angles respectively. Secondly, the numerical simulation responses of SGLCP in horizontal segregated flow are calculated from the aspect of different water cut and heights of the water layer, respectively. Lastly, an SGLCP-based well logging instrument was developed, and experiments were carried out in a horizontal pipe with an inner diameter of 125 mm on the industrial-scale experimental multiphase flow setup in the Daqing Oilfield, China. In the experiments, the different oil-water two-phase flow, mineralization degree, temperature and pressure were tested. The results obtained from the simulation experiments and simulation well experiments demonstrate that the designed and developed SGLCP-based instrument still has a good response characteristic for measuring water conductivity under the different conditions mentioned above. The validity and reliability of obtaining the response values corresponding to the water conductivity through the designed and developed SGLCP-based instrument are verified by the experimental results. The significance of this work can provide an effective technology for measuring the water volume fraction of oil-water two-phase flow in horizontal oil-producing wells.

A Method for Assessing Auditory Spatial Analysis in Reverberant Multitalker Environments.

PubMed

Weller, Tobias; Best, Virginia; Buchholz, Jörg M; Young, Taegan

2016-07-01

Deficits in spatial hearing can have a negative impact on listeners' ability to orient in their environment and follow conversations in noisy backgrounds and may exacerbate the experience of hearing loss as a handicap. However, there are no good tools available for reliably capturing the spatial hearing abilities of listeners in complex acoustic environments containing multiple sounds of interest. The purpose of this study was to explore a new method to measure auditory spatial analysis in a reverberant multitalker scenario. This study was a descriptive case control study. Ten listeners with normal hearing (NH) aged 20-31 yr and 16 listeners with hearing impairment (HI) aged 52-85 yr participated in the study. The latter group had symmetrical sensorineural hearing losses with a four-frequency average hearing loss of 29.7 dB HL. A large reverberant room was simulated using a loudspeaker array in an anechoic chamber. In this simulated room, 96 scenes comprising between one and six concurrent talkers at different locations were generated. Listeners were presented with 45-sec samples of each scene, and were required to count, locate, and identify the gender of all talkers, using a graphical user interface on an iPad. Performance was evaluated in terms of correctly counting the sources and accuracy in localizing their direction. Listeners with NH were able to reliably analyze scenes with up to four simultaneous talkers, while most listeners with hearing loss demonstrated errors even with two talkers at a time. Localization performance decreased in both groups with increasing number of talkers and was significantly poorer in listeners with HI. Overall performance was significantly correlated with hearing loss. This new method appears to be useful for estimating spatial abilities in realistic multitalker scenes. The method is sensitive to the number of sources in the scene, and to effects of sensorineural hearing loss. Further work will be needed to compare this method to more traditional single-source localization tests. American Academy of Audiology.

The detection of local irreversibility in time series based on segmentation

NASA Astrophysics Data System (ADS)

Teng, Yue; Shang, Pengjian

2018-06-01

We propose a strategy for the detection of local irreversibility in stationary time series based on multiple scale. The detection is beneficial to evaluate the displacement of irreversibility toward local skewness. By means of this method, we can availably discuss the local irreversible fluctuations of time series as the scale changes. The method was applied to simulated nonlinear signals generated by the ARFIMA process and logistic map to show how the irreversibility functions react to the increasing of the multiple scale. The method was applied also to series of financial markets i.e., American, Chinese and European markets. The local irreversibility for different markets demonstrate distinct characteristics. Simulations and real data support the need of exploring local irreversibility.

Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method.

PubMed

Kan, Zigui; Zhu, Qiang; Yang, Lijiang; Huang, Zhixiong; Jin, Biaobing; Ma, Jing

2017-05-04

Conformation of cellulose with various degree of polymerization of n = 1-12 in ionic liquid 1,3-dimethylimidazolium chloride ([C 1 mim]Cl) and the intermolecular interaction between them was studied by means of molecular dynamics (MD) simulations with fixed-charge and charge variable polarizable force fields, respectively. The integrated tempering enhanced sampling method was also employed in the simulations in order to improve the sampling efficiency. Cellulose undergoes significant conformational changes from a gaseous right-hand helical twist along the long axis to a flexible conformation in ionic liquid. The intermolecular interactions between cellulose and ionic liquid were studied by both infrared spectrum measurements and theoretical simulations. Designated by their puckering parameters, the pyranose rings of cellulose oligomers are mainly arranged in a chair conformation. With the increase in the degree of polymerization of cellulose, the boat and skew-boat conformations of cellulose appear in the MD simulations, especially in the simulations with polarization model. The number and population of hydrogen bonds between the cellulose and the chloride anions show that chloride anion is prone to form HBs whenever it approaches the hydroxyl groups of cellulose and, thus, each hydroxyl group is fully hydrogen bonded to the chloride anion. MD simulations with polarization model presented more abundant conformations than that with nonpolarization model. The application of the enhanced sampling method further enlarged the conformational spaces that could be visited by facilitating the system escaping from the local minima. It was found that the electrostatics interactions between the cellulose and ionic liquid contribute more to the total interaction energies than the van der Waals interactions. Although the interaction energy between the cellulose and anion is about 2.9 times that between the cellulose and cation, the role of cation is non-negligible. In contrast, the interaction energy between the cellulose and water is too weak to dissolve cellulose in water.

Study of atmospheric dynamics and pollution in the coastal area of English Channel using clustering technique

NASA Astrophysics Data System (ADS)

Sokolov, Anton; Dmitriev, Egor; Delbarre, Hervé; Augustin, Patrick; Gengembre, Cyril; Fourmenten, Marc

2016-04-01

The problem of atmospheric contamination by principal air pollutants was considered in the industrialized coastal region of English Channel in Dunkirk influenced by north European metropolitan areas. MESO-NH nested models were used for the simulation of the local atmospheric dynamics and the online calculation of Lagrangian backward trajectories with 15-minute temporal resolution and the horizontal resolution down to 500 m. The one-month mesoscale numerical simulation was coupled with local pollution measurements of volatile organic components, particulate matter, ozone, sulphur dioxide and nitrogen oxides. Principal atmospheric pathways were determined by clustering technique applied to backward trajectories simulated. Six clusters were obtained which describe local atmospheric dynamics, four winds blowing through the English Channel, one coming from the south, and the biggest cluster with small wind speeds. This last cluster includes mostly sea breeze events. The analysis of meteorological data and pollution measurements allows relating the principal atmospheric pathways with local air contamination events. It was shown that contamination events are mostly connected with a channelling of pollution from local sources and low-turbulent states of the local atmosphere.

Ray tracing study of rising tone EMIC-triggered emissions

NASA Astrophysics Data System (ADS)

Hanzelka, Miroslav; Santolík, Ondřej; Grison, Benjamin; Cornilleau-Wehrlin, Nicole

2017-04-01

ElectroMagnetic Ion Cyclotron (EMIC) triggered emissions have been subject of extensive theoretical and experimental research in last years. These emissions are characterized by high coherence values and a frequency range of 0.5 - 2.0 Hz, close to local helium gyrofrequency. We perform ray tracing case studies of rising tone EMIC-triggered emissions observed by the Cluster spacecraft in both nightside and dayside regions off the equatorial plane. By comparison of simulated and measured wave properties, namely wave vector orientation, group velocity, dispersion and ellipticity of polarization, we determine possible source locations. Diffusive equilibrium density model and other, semi-empirical models are used with ion composition inferred from cross-over frequencies. Ray tracing simulations are done in cold plasma approximation with inclusion of Landau and cyclotron damping. Various widths, locations and profiles of plasmapause are tested.

Molecular Dynamics Simulations Reveal an Interplay between SHAPE Reagent Binding and RNA Flexibility.

PubMed

Mlýnský, Vojtěch; Bussi, Giovanni

2018-01-18

The function of RNA molecules usually depends on their overall fold and on the presence of specific structural motifs. Chemical probing methods are routinely used in combination with nearest-neighbor models to determine RNA secondary structure. Among the available methods, SHAPE is relevant due to its capability to probe all RNA nucleotides and the possibility to be used in vivo. However, the structural determinants for SHAPE reactivity and its mechanism of reaction are still unclear. Here molecular dynamics simulations and enhanced sampling techniques are used to predict the accessibility of nucleotide analogs and larger RNA structural motifs to SHAPE reagents. We show that local RNA reconformations are crucial in allowing reagents to reach the 2'-OH group of a particular nucleotide and that sugar pucker is a major structural factor influencing SHAPE reactivity.

Inhomogeneity of PAGs in resist film studied by molecular-dynamics simulations for EUV lithography

NASA Astrophysics Data System (ADS)

Toriumi, Minoru; Itani, Toshiro

2014-03-01

EUV resist materials are requested simultaneously to improve the resolution, line-edge roughness (LER), and sensitivity (RLS). In a resist film inhomogeneous structures in nanometer region may have large effects on directly the resolution and LER and indirectly on sensitivity. Inhomogeneity of PAGs in a hybrid resist for EUV lithography was investigated using molecular dynamics simulations. The hybrid resist film showed the inhomogeneous positions and motions of PAG cations and anions. Free volumes in resist matrix influence the motions of PAGs. Molecular structure such as bulky phenyl groups of a PAG cation localize the positions and reduce the motion of a cation. Chemical properties such as ionic interactions and lone-pair interaction also play an important role to determine the inhomogeneity of PAGs. Fluorine interaction enables active motions of PAG anions.

Complexity Induced Anisotropic Bimodal Intermittent Turbulence in Space Plasmas

NASA Technical Reports Server (NTRS)

Chang, Tom; Tam, Sunny W. Y.; Wu, Cheng-Chin

2004-01-01

The "physics of complexity" in space plasmas is the central theme of this exposition. It is demonstrated that the sporadic and localized interactions of magnetic coherent structures arising from the plasma resonances can be the source for the coexistence of nonpropagating spatiotemporal fluctuations and propagating modes. Non-Gaussian probability distribution functions of the intermittent fluctuations from direct numerical simulations are obtained and discussed. Power spectra and local intermittency measures using the wavelet analyses are presented to display the spottiness of the small-scale turbulent fluctuations and the non-uniformity of coarse-grained dissipation that can lead to magnetic topological reconfigurations. The technique of the dynamic renormalization group is applied to the study of the scaling properties of such type of multiscale fluctuations. Charged particle interactions with both the propagating and nonpropagating portions of the intermittent turbulence are also described.

Out-of-equilibrium dynamics driven by localized time-dependent perturbations at quantum phase transitions

NASA Astrophysics Data System (ADS)

Pelissetto, Andrea; Rossini, Davide; Vicari, Ettore

2018-03-01

We investigate the quantum dynamics of many-body systems subject to local (i.e., restricted to a limited space region) time-dependent perturbations. If the system crosses a quantum phase transition, an off-equilibrium behavior is observed, even for a very slow driving. We show that, close to the transition, time-dependent quantities obey scaling laws. In first-order transitions, the scaling behavior is universal, and some scaling functions can be computed exactly. For continuous transitions, the scaling laws are controlled by the standard critical exponents and by the renormalization-group dimension of the perturbation at the transition. Our protocol can be implemented in existing relatively small quantum simulators, paving the way for a quantitative probe of the universal off-equilibrium scaling behavior, without the need to manipulate systems close to the thermodynamic limit.

International collaborative faculty development program on simulation-based healthcare education: a report on its successes and challenges.

PubMed

Chung, Hyun Soo; Issenberg, S Barry; Phrampus, Paul; Miller, Geoff; Je, Sang Mo; Lim, Tae Ho; Kim, Young Min

2012-12-01

Countries that are less experienced with simulation-based healthcare education (SBHE) often import Western programs to initiate their efforts to deliver effective simulation training. Acknowledging cultural differences, we sought to determine whether faculty development program on SBHE in the United States could be transported successfully to train faculty members in Korea. An international, collaborative, multi-professional program from a pre-existing Western model was adapted. The process focused on prioritization of curricular elements based on local needs, translation of course materials, and delivery of the program in small group facilitation exercises. Three types of evaluation data were collected: participants' simulation experience; participants' ratings of the course; and participant's self-assessment of the impact of the course on their knowledge, skills, and attitudes (KSA) toward simulation teaching. Thirty faculty teachers participated in the course. Eighty percent of the participants answered that they spent less than 25% of their time as simulation instructors. Time spent on planning, scenario development, delivering training, research, and administrative work ranged from 10% to 30%. Twenty-eight of 30 participants agreed or strongly agreed that the course was excellent and relevant to their needs. The participants' assessment of the impact of the course on their KSA toward simulation teaching improved significantly. Although there were many challenges to overcome, a systematic approach in the adaptation of a Western simulation faculty development course model was successfully implemented in Korea, and the program improves self-confidence and learning in participants.

Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study

NASA Astrophysics Data System (ADS)

Kürkçü, Cihan; Merdan, Ziya; Öztürk, Hülya

2016-12-01

We have studied the structural properties of the antiferromagnetic NiF2 tetragonal structure with P42/ mnm symmetry using density functional theory (DFT) under rapid hydrostatic pressure up to 400 GPa. For the exchange correlation energy we used the local density approximation (LDA) of Ceperley and Alder (CA). Two phase transformations are successfully observed through the simulations. The structures of XF2-type compounds crystallize in rutile-type structure. NiF2 undergoes phase transformations from the tetragonal rutile-type structure with space group P42/ mnm to orthorhombic CaCl2-type structure with space group Pnnm and from this orthorhombic phase to monoclinic structure with space group C2/ m at 152 GPa and 360 GPa, respectively. These phase changes are also studied by total energy and enthalpy calculations. According to these calculations, we perdict these phase transformations at about 1.85 and 30 GPa.

Localized massive halo properties in BAHAMAS and MACSIS simulations: scalings, log-normality, and covariance

NASA Astrophysics Data System (ADS)

Farahi, Arya; Evrard, August E.; McCarthy, Ian; Barnes, David J.; Kay, Scott T.

2018-05-01

Using tens of thousands of halos realized in the BAHAMAS and MACSIS simulations produced with a consistent astrophysics treatment that includes AGN feedback, we validate a multi-property statistical model for the stellar and hot gas mass behavior in halos hosting groups and clusters of galaxies. The large sample size allows us to extract fine-scale mass-property relations (MPRs) by performing local linear regression (LLR) on individual halo stellar mass (Mstar) and hot gas mass (Mgas) as a function of total halo mass (Mhalo). We find that: 1) both the local slope and variance of the MPRs run with mass (primarily) and redshift (secondarily); 2) the conditional likelihood, p(Mstar, Mgas| Mhalo, z) is accurately described by a multivariate, log-normal distribution, and; 3) the covariance of Mstar and Mgas at fixed Mhalo is generally negative, reflecting a partially closed baryon box model for high mass halos. We validate the analytical population model of Evrard et al. (2014), finding sub-percent accuracy in the log-mean halo mass selected at fixed property, ⟨ln Mhalo|Mgas⟩ or ⟨ln Mhalo|Mstar⟩, when scale-dependent MPR parameters are employed. This work highlights the potential importance of allowing for running in the slope and scatter of MPRs when modeling cluster counts for cosmological studies. We tabulate LLR fit parameters as a function of halo mass at z = 0, 0.5 and 1 for two popular mass conventions.

A longitudinal simulation-based ethical-legal curriculum for otolaryngology residents.

PubMed

Fanous, Amanda; Rappaport, Jamie; Young, Meredith; Park, Yoon Soo; Manoukian, John; Nguyen, Lily H P

2017-11-01

To develop, implement, and evaluate a longitudinal, simulation-based ethics and legal curriculum designed specifically for otolaryngology residents. Otolaryngology residents were recruited to participate in a yearly half-day ethical-legal module, the curriculum of which spanned 4 years. Each module included: three simulated scenarios, small-group multisource feedback, and large-group debriefings. Scenarios involved encounters with standardized patients. Residents' ethical-legal knowledge was assessed pre- and postmodule with multiple-choice questions, and ethical reasoning was assessed by a variety of evaluators during the simulated scenario using a locally developed assessment tool. Participants completed an exit survey at the end of each module. Eighteen residents completed four modules from the academic years of 2008 to 2009 to 2011 to 2012. The first year was considered a pilot module, and data were collected for the following 3 years. Knowledge of legal issues improved significantly among residents (mean at pre = 3.40 and post = 4.60, P < 0.05). Residents' ethical reasoning skills also improved across years (mean 3.60/5 in 2009-2010, 3.76/5 in 2010-2011, and 4.33 in 2011-2012, P < 0.05). Survey results revealed a statistically significant self-perceived improvement in ethics reasoning skills (mean pre = 3.62, post = 4.86, P < 0.05). Participants reported that the curriculum was relevant to their practice (85%), that the debriefings were of high quality (83%), and that they would recommend this module to others (88%). To our knowledge, this is the first study exploring a longitudinal simulation-based ethical-legal curriculum tailored to otolaryngology-head and neck surgery residents. This educational program resulted in a both objective and subjective improvement in legal and ethics knowledge and skills. NA. Laryngoscope, 127:2501-2509, 2017. © 2017 The American Laryngological, Rhinological and Otological Society, Inc.

Principles of magnetohydrodynamic simulation in space plasmas

NASA Technical Reports Server (NTRS)

Sato, T.

1985-01-01

Attention is given to the philosophical as well as physical principles that are essential to the establishment of MHD simulation studies for solar plasma research, assuming the capabilities of state-of-the-art computers and emphasizing the importance of 'local' MHD simulation. Solar-terrestrial plasma space is divided into several elementary regions where a macroscopic elementary energy conversion process could conceivably occur; the local MHD simulation is defined as self-contained in each of the regions. The importance of, and the difficulties associated with, the boundary condition are discussed in detail. The roles of diagnostics and of the finite difference method are noted.

What do Simulations Predict for the Galaxy Stellar Mass Function and its Evolution in Different Environments?

NASA Astrophysics Data System (ADS)

Vulcani, Benedetta; De Lucia, Gabriella; Poggianti, Bianca M.; Bundy, Kevin; More, Surhud; Calvi, Rosa

2014-06-01

We present a comparison between the observed galaxy stellar mass function and the one predicted from the De Lucia & Blaizot semi-analytic model applied to the Millennium Simulation, for cluster satellites and galaxies in the field (meant as a wide portion of the sky, including all environments), in the local universe (z ~ 0.06), and at intermediate redshift (z ~ 0.6), with the aim to shed light on the processes which regulate the mass distribution in different environments. While the mass functions in the field and in its finer environments (groups, binary, and single systems) are well matched in the local universe down to the completeness limit of the observational sample, the model overpredicts the number of low-mass galaxies in the field at z ~ 0.6 and in clusters at both redshifts. Above M * = 1010.25 M ⊙, it reproduces the observed similarity of the cluster and field mass functions but not the observed evolution. Our results point out two shortcomings of the model: an incorrect treatment of cluster-specific environmental effects and an overefficient galaxy formation at early times (as already found by, e.g., Weinmann et al.). Next, we consider only simulations. Also using the Guo et al. model, we find that the high-mass end of the mass functions depends on halo mass: only very massive halos host massive galaxies, with the result that their mass function is flatter. Above M * = 109.4 M ⊙, simulations show an evolution in the number of the most massive galaxies in all environments. Mass functions obtained from the two prescriptions are different, however, results are qualitatively similar, indicating that the adopted methods to model the evolution of central and satellite galaxies still have to be better implemented in semi-analytic models.

Glimpsing the imprint of local environment on the galaxy stellar mass function

NASA Astrophysics Data System (ADS)

Tomczak, Adam R.; Lemaux, Brian C.; Lubin, Lori M.; Gal, Roy R.; Wu, Po-Feng; Holden, Bradford; Kocevski, Dale D.; Mei, Simona; Pelliccia, Debora; Rumbaugh, Nicholas; Shen, Lu

2017-12-01

We investigate the impact of local environment on the galaxy stellar mass function (SMF) spanning a wide range of galaxy densities from the field up to dense cores of massive galaxy clusters. Data are drawn from a sample of eight fields from the Observations of Redshift Evolution in Large-Scale Environments (ORELSE) survey. Deep photometry allow us to select mass-complete samples of galaxies down to 109 M⊙. Taking advantage of >4000 secure spectroscopic redshifts from ORELSE and precise photometric redshifts, we construct three-dimensional density maps between 0.55 < z < 1.3 using a Voronoi tessellation approach. We find that the shape of the SMF depends strongly on local environment exhibited by a smooth, continual increase in the relative numbers of high- to low-mass galaxies towards denser environments. A straightforward implication is that local environment proportionally increases the efficiency of (a) destroying lower mass galaxies and/or (b) growth of higher mass galaxies. We also find a presence of this environmental dependence in the SMFs of star-forming and quiescent galaxies, although not quite as strongly for the quiescent subsample. To characterize the connection between the SMF of field galaxies and that of denser environments, we devise a simple semi-empirical model. The model begins with a sample of ≈106 galaxies at zstart = 5 with stellar masses distributed according to the field. Simulated galaxies then evolve down to zfinal = 0.8 following empirical prescriptions for star-formation, quenching and galaxy-galaxy merging. We run the simulation multiple times, testing a variety of scenarios with differing overall amounts of merging. Our model suggests that a large number of mergers are required to reproduce the SMF in dense environments. Additionally, a large majority of these mergers would have to occur in intermediate density environments (e.g. galaxy groups).

Differential cosmic expansion and the Hubble flow anisotropy

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

Bolejko, Krzysztof; Nazer, M. Ahsan; Wiltshire, David L., E-mail: bolejko@physics.usyd.edu.au, E-mail: ahsan.nazer@canterbury.ac.nz, E-mail: david.wiltshire@canterbury.ac.nz

2016-06-01

The Universe on scales 10–100 h {sup −1}Mpc is dominated by a cosmic web of voids, filaments, sheets and knots of galaxy clusters. These structures participate differently in the global expansion of the Universe: from non-expanding clusters to the above average expansion rate of voids. In this paper we characterize Hubble expansion anisotropies in the COMPOSITE sample of 4534 galaxies and clusters. We concentrate on the dipole and quadrupole in the rest frame of the Local Group. These both have statistically significant amplitudes. These anisotropies, and their redshift dependence, cannot be explained solely by a boost of the Local Groupmore » in the Friedmann-Lemaitre-Robertson-Walker (FLRW) model which expands isotropically in the rest frame of the cosmic microwave background (CMB) radiation. We simulate the local expansion of the Universe with inhomogeneous Szekeres solutions, which match the standard FLRW model on ∼> 100 h {sup −1}Mpc scales but exhibit nonkinematic relativistic differential expansion on small scales. We restrict models to be consistent with observed CMB temperature anisotropies, while simultaneously fitting the redshift variation of the Hubble expansion dipole. We include features to account for both the Local Void and the 'Great Attractor'. While this naturally accounts for the Hubble expansion and CMB dipoles, the simulated quadrupoles are smaller than observed. Further refinement to incorporate additional structures may improve this. This would enable a test of the hypothesis that some large angle CMB anomalies result from failing to treat the relativistic differential expansion of the background geometry; a natural feature of solutions to Einstein's equations not included in the current standard model of cosmology.« less

Three dimensional nonlinear simulations of edge localized modes on the EAST tokamak using BOUT++ code

NASA Astrophysics Data System (ADS)

Liu, Z. X.; Xu, X. Q.; Gao, X.; Xia, T. Y.; Joseph, I.; Meyer, W. H.; Liu, S. C.; Xu, G. S.; Shao, L. M.; Ding, S. Y.; Li, G. Q.; Li, J. G.

2014-09-01

Experimental measurements of edge localized modes (ELMs) observed on the EAST experiment are compared to linear and nonlinear theoretical simulations of peeling-ballooning modes using the BOUT++ code. Simulations predict that the dominant toroidal mode number of the ELM instability becomes larger for lower current, which is consistent with the mode structure captured with visible light using an optical CCD camera. The poloidal mode number of the simulated pressure perturbation shows good agreement with the filamentary structure observed by the camera. The nonlinear simulation is also consistent with the experimentally measured energy loss during an ELM crash and with the radial speed of ELM effluxes measured using a gas puffing imaging diagnostic.

Testing the effectivity of the mixed virtual reality training Into D'mentia for informal caregivers of people with dementia: protocol for a longitudinal, quasi-experimental study.

PubMed

Jütten, Linda Helena; Mark, Ruth Elaine; Maria Janssen, Ben Wilhelmus Jacobus; Rietsema, Jan; Dröes, Rose-Marie; Sitskoorn, Margriet Maria

2017-08-21

Informal caregivers for people with dementia (hereafter: caregivers) often feel (over)burdened by the care for a loved one with dementia, and this can have various deleterious effects on both caregivers and patients. Support for caregivers is urgently needed, and for this reason, a dementia simulator (Into D'mentia) was developed in which caregivers experience what it is like to have dementia. The simulator attempts to heighten caregivers' empathy and understanding for the patient and, in turn, diminish their own caregiver burden. The current study evaluates whether the simulator is effective on a number of outcomes. A longitudinal, quasi-experimental study is ongoing in the Netherlands. We aim to recruit 142 caregivers in total divided over two groups: 71 caregivers in the intervention group and 71 caregivers in the control group. All participants will complete interviews and questionnaires at four time points: at baseline, 1 week, 2.5 months and 15 months after the training. The primary outcomes include empathy, caregiver burden, caregiver's sense of competence, social reliance, anxiety, depression and caregivers' subjective and objective health. This study is being carried out in agreement with the Declaration of Helsinki, and the protocol has been approved by the local ethics committees. This study is registered with The Netherlands National Trial Register (NNTR5856). © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Simulation studies of circular muscle contraction, longitudinal muscle shortening, and their coordination in esophageal transport.

PubMed

Kou, Wenjun; Pandolfino, John E; Kahrilas, Peter J; Patankar, Neelesh A

2015-08-15

On the basis of a fully coupled active musculomechanical model for esophageal transport, we aimed to find the roles of circular muscle (CM) contraction and longitudinal muscle (LM) shortening in esophageal transport, and the influence of their coordination. Two groups of studies were conducted using a computational model. In the first group, bolus transport with only CM contraction, only LM shortening, or both was simulated. Overall features and detailed information on pressure and the cross-sectional area (CSA) of mucosal and the two muscle layers were analyzed. In the second group, bolus transport with varying delay in CM contraction or LM shortening was simulated. The effect of delay on esophageal transport was studied. For cases showing abnormal transport, pressure and CSA were further analyzed. CM contraction by itself was sufficient to transport bolus, but LM shortening by itself was not. CM contraction decreased the CSA and the radius of the muscle layer locally, but LM shortening increased the CSA. Synchronized CM contraction and LM shortening led to overlapping of muscle CSA and pressure peaks. Advancing LM shortening adversely influenced bolus transport, whereas lagging LM shortening was irrelevant to bolus transport. In conclusion, CM contraction generates high squeezing pressure, which plays a primary role in esophageal transport. LM shortening increases muscle CSA, which helps to strengthen CM contraction. Advancing LM shortening decreases esophageal distensibility in the bolus region. Lagging LM shortening no longer helps esophageal transport. Synchronized CM contraction and LM shortening seems to be most effective for esophageal transport. Copyright © 2015 the American Physiological Society.

Lack of transfer of skills after virtual reality simulator training with haptic feedback.

PubMed

Våpenstad, Cecilie; Hofstad, Erlend Fagertun; Bø, Lars Eirik; Kuhry, Esther; Johnsen, Gjermund; Mårvik, Ronald; Langø, Thomas; Hernes, Toril Nagelhus

2017-12-01

Virtual reality (VR) simulators enrich surgical training and offer training possibilities outside of the operating room (OR). In this study, we created a criterion-based training program on a VR simulator with haptic feedback and tested it by comparing the performances of a simulator group against a control group. Medical students with no experience in laparoscopy were randomly assigned to a simulator group or a control group. In the simulator group, the candidates trained until they reached predefined criteria on the LapSim ® VR simulator (Surgical Science AB, Göteborg, Sweden) with haptic feedback (Xitact TM IHP, Mentice AB, Göteborg, Sweden). All candidates performed a cholecystectomy on a porcine organ model in a box trainer (the clinical setting). The performances were video rated by two surgeons blinded to subject training status. In total, 30 students performed the cholecystectomy and had their videos rated (N = 16 simulator group, N = 14 control group). The control group achieved better video rating scores than the simulator group (p < .05). The criterion-based training program did not transfer skills to the clinical setting. Poor mechanical performance of the simulated haptic feedback is believed to have resulted in a negative training effect.

Molecular dynamics simulation study of the early stages of nucleation of iron oxyhydroxide nanoparticles in aqueous solutions

DOE PAGES

Zhang, Hengzhong; Waychunas, Glenn A.; Banfield, Jillian F.

2015-07-29

Nucleation is a fundamental step in crystal growth. Of environmental and materials relevance are reactions that lead to nucleation of iron oxyhydroxides in aqueous solutions. These reactions are difficult to study experimentally due to their rapid kinetics. Here, we used classical molecular dynamics simulations to investigate nucleation of iron hydroxide/oxyhydroxide nanoparticles in aqueous solutions. Results show that in a solution containing ferric ions and hydroxyl groups, iron–hydroxyl molecular clusters form by merging ferric monomers, dimers, and other oligomers, driven by strong affinity of ferric ions to hydroxyls. When deprotonation reactions are not considered in the simulations, these clusters aggregate tomore » form small iron hydroxide nanocrystals with a six-membered ring-like layered structure allomeric to gibbsite. By comparison, in a solution containing iron chloride and sodium hydroxide, the presence of chlorine drives cluster assembly along a different direction to form long molecular chains (rather than rings) composed of Fe–O octahedra linked by edge sharing. Further, in chlorine-free solutions, when deprotonation reactions are considered, the simulations predict ultimate formation of amorphous iron oxyhydroxide nanoparticles with local atomic structure similar to that of ferrihydrite nanoparticles. Overall, our simulation results reveal that nucleation of iron oxyhydroxide nanoparticles proceeds via a cluster aggregation-based nonclassical pathway.« less

On influences of global and local cues on the rate of synchronization of oscillator networks

PubMed Central

Wang, Yongqiang; Doyle, Francis J.

2011-01-01

Synchronization of connected oscillator networks under global and local cues is ubiquitous in both science and engineering. Over the last few decades, enormous attention has been paid to study synchronization conditions of connected oscillators in chemistry, physics, mechanics, and particularly in biology. However, the influences of global and local cues on the rate of synchronization have not been fully studied. It is widespread that synchronization is achieved in the simultaneous presence of both global and local cues, such as intercellular coupling signals and external entrainment signals in terms of biological oscillators, and inter-neighbor coupling signals between follower nodes and central guiding signals in terms of groups of mobile autonomous agents. We prove in this paper that strength of the global cue is the only determinant of the rate of synchronization. More specifically, we prove that a stronger global cue means a faster rate of synchronization whereas a stronger local cue does not necessarily make the synchronization rate faster. Our results not only apply to the noise free case, but also apply to the case that the oscillator natural frequencies are subject to white noise. The analysis does not require the interplay to be symmetric or balanced. Simulation results are given to illustrate the proposed results. PMID:21607201

Space Science at Los Alamos National Laboratory

NASA Astrophysics Data System (ADS)

Smith, Karl

2017-09-01

The Space Science and Applications group (ISR-1) in the Intelligence and Space Research (ISR) division at the Los Alamos National Laboratory lead a number of space science missions for civilian and defense-related programs. In support of these missions the group develops sensors capable of detecting nuclear emissions and measuring radiations in space including γ-ray, X-ray, charged-particle, and neutron detection. The group is involved in a number of stages of the lifetime of these sensors including mission concept and design, simulation and modeling, calibration, and data analysis. These missions support monitoring of the atmosphere and near-Earth space environment for nuclear detonations as well as monitoring of the local space environment including space-weather type events. Expertise in this area has been established over a long history of involvement with cutting-edge projects continuing back to the first space based monitoring mission Project Vela. The group's interests cut across a large range of topics including non-proliferation, space situational awareness, nuclear physics, material science, space physics, astrophysics, and planetary physics.

Analysis of Latino populations from GALA and MEC studies reveals genomic loci with biased local ancestry estimation

PubMed Central

Pasaniuc, Bogdan; Sankararaman, Sriram; Torgerson, Dara G.; Gignoux, Christopher; Zaitlen, Noah; Eng, Celeste; Rodriguez-Cintron, William; Chapela, Rocio; Ford, Jean G.; Avila, Pedro C.; Rodriguez-Santana, Jose; Chen, Gary K.; Le Marchand, Loic; Henderson, Brian; Reich, David; Haiman, Christopher A.; Gonzàlez Burchard, Esteban; Halperin, Eran

2013-01-01

Motivation: Local ancestry analysis of genotype data from recently admixed populations (e.g. Latinos, African Americans) provides key insights into population history and disease genetics. Although methods for local ancestry inference have been extensively validated in simulations (under many unrealistic assumptions), no empirical study of local ancestry accuracy in Latinos exists to date. Hence, interpreting findings that rely on local ancestry in Latinos is challenging. Results: Here, we use 489 nuclear families from the mainland USA, Puerto Rico and Mexico in conjunction with 3204 unrelated Latinos from the Multiethnic Cohort study to provide the first empirical characterization of local ancestry inference accuracy in Latinos. Our approach for identifying errors does not rely on simulations but on the observation that local ancestry in families follows Mendelian inheritance. We measure the rate of local ancestry assignments that lead to Mendelian inconsistencies in local ancestry in trios (MILANC), which provides a lower bound on errors in the local ancestry estimates. We show that MILANC rates observed in simulations underestimate the rate observed in real data, and that MILANC varies substantially across the genome. Second, across a wide range of methods, we observe that loci with large deviations in local ancestry also show enrichment in MILANC rates. Therefore, local ancestry estimates at such loci should be interpreted with caution. Finally, we reconstruct ancestral haplotype panels to be used as reference panels in local ancestry inference and show that ancestry inference is significantly improved by incoroprating these reference panels. Availability and implementation: We provide the reconstructed reference panels together with the maps of MILANC rates as a public resource for researchers analyzing local ancestry in Latinos at http://bogdanlab.pathology.ucla.edu. Contact: bpasaniuc@mednet.ucla.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:23572411

Local Spatial Analysis and Dynamic Simulation of Childhood Obesity and Neighbourhood Walkability in a Major Canadian City.

PubMed

Shahid, Rizwan; Bertazzon, Stefania

2015-01-01

Body weight is an important indicator of current and future health and it is even more critical in children, who are tomorrow's adults. This paper analyzes the relationship between childhood obesity and neighbourhood walkability in Calgary, Canada. A multivariate analytical framework recognizes that childhood obesity is also associated with many factors, including socioeconomic status, foodscapes, and environmental factors, as well as less measurable factors, such as individual preferences, that could not be included in this analysis. In contrast with more conventional global analysis, this research employs localized analysis and assesses need-based interventions. The one-size-fit-all strategy may not effectively control obesity rates, since each neighbourhood has unique characteristics that need to be addressed individually. This paper presents an innovative framework combining local analysis with simulation modeling to analyze childhood obesity. Spatial models generally do not deal with simulation over time, making it cumbersome for health planners and policy makers to effectively design and implement interventions and to quantify their impact over time. This research fills this gap by integrating geographically weighted regression (GWR), which identifies vulnerable neighbourhoods and critical factors for childhood obesity, with simulation modeling, which evaluates the impact of the suggested interventions on the targeted neighbourhoods. Neighbourhood walkability was chosen as a potential target for localized interventions, owing to the crucial role of walking in developing a healthy lifestyle, as well as because increasing walkability is relatively more feasible and less expensive then modifying other factors, such as income. Simulation results suggest that local walkability interventions can achieve measurable declines in childhood obesity rates. The results are encouraging, as improvements are likely to compound over time. The results demonstrate that the integration of GWR and simulation modeling is effective, and the proposed framework can assist in designing local interventions to control and prevent childhood obesity.

Computerized Adaptive Testing Provides Reliable and Efficient Depression Measurement Using the CES-D Scale

PubMed Central

2017-01-01

Background The Center for Epidemiologic Studies Depression Scale (CES-D) is a measure of depressive symptomatology which is widely used internationally. Though previous attempts were made to shorten the CES-D scale, few have attempted to develop a Computerized Adaptive Test (CAT) version for the CES-D. Objective The aim of this study was to provide evidence on the efficiency and accuracy of the CES-D when administered using CAT using an American sample group. Methods We obtained a sample of 2060 responses to the CESD-D from US participants using the myPersonality application. The average age of participants was 26 years (range 19-77). We randomly split the sample into two groups to evaluate and validate the psychometric models. We used evaluation group data (n=1018) to assess dimensionality with both confirmatory factor and Mokken analysis. We conducted further psychometric assessments using item response theory (IRT), including assessments of item and scale fit to Samejima’s graded response model (GRM), local dependency and differential item functioning. We subsequently conducted two CAT simulations to evaluate the CES-D CAT using the validation group (n=1042). Results Initial CFA results indicated a poor fit to the model and Mokken analysis revealed 3 items which did not conform to the same dimension as the rest of the items. We removed the 3 items and fit the remaining 17 items to GRM. We found no evidence of differential item functioning (DIF) between age and gender groups. Estimates of the level of CES-D trait score provided by the simulated CAT algorithm and the original CES-D trait score derived from original scale were correlated highly. The second CAT simulation conducted using real participant data demonstrated higher precision at the higher levels of depression spectrum. Conclusions Depression assessments using the CES-D CAT can be more accurate and efficient than those made using the fixed-length assessment. PMID:28931496

Crashworthiness simulations with DYNA3D

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

Schauer, D.A.; Hoover, C.G.; Kay, G.J.

1996-04-01

Current progress in parallel algorithm research and applications in vehicle crash simulation is described for the explicit, finite element algorithms in DYNA3D. Problem partitioning methods and parallel algorithms for contact at material interfaces are the two challenging algorithm research problems that are addressed. Two prototype parallel contact algorithms have been developed for treating the cases of local and arbitrary contact. Demonstration problems for local contact are crashworthiness simulations with 222 locally defined contact surfaces and a vehicle/barrier collision modeled with arbitrary contact. A simulation of crash tests conducted for a vehicle impacting a U-channel small sign post embedded in soilmore » has been run on both the serial and parallel versions of DYNA3D. A significant reduction in computational time has been observed when running these problems on the parallel version. However, to achieve maximum efficiency, complex problems must be appropriately partitioned, especially when contact dominates the computation.« less

Lessons Learned from Numerical Simulations of the F-16XL Aircraft at Flight Conditions

NASA Technical Reports Server (NTRS)

Rizzi, Arthur; Jirasek, Adam; Lamar, John; Crippa, Simone; Badcock, Kenneth; Boelens, Oklo

2009-01-01

Nine groups participating in the Cranked Arrow Wing Aerodynamics Project International (CAWAPI) project have contributed steady and unsteady viscous simulations of a full-scale, semi-span model of the F-16XL aircraft. Three different categories of flight Reynolds/Mach number combinations were computed and compared with flight-test measurements for the purpose of code validation and improved understanding of the flight physics. Steady-state simulations are done with several turbulence models of different complexity with no topology information required and which overcome Boussinesq-assumption problems in vortical flows. Detached-eddy simulation (DES) and its successor delayed detached-eddy simulation (DDES) have been used to compute the time accurate flow development. Common structured and unstructured grids as well as individually-adapted unstructured grids were used. Although discrepancies are observed in the comparisons, overall reasonable agreement is demonstrated for surface pressure distribution, local skin friction and boundary velocity profiles at subsonic speeds. The physical modeling, steady or unsteady, and the grid resolution both contribute to the discrepancies observed in the comparisons with flight data, but at this time it cannot be determined how much each part contributes to the whole. Overall it can be said that the technology readiness of CFD-simulation technology for the study of vehicle performance has matured since 2001 such that it can be used today with a reasonable level of confidence for complex configurations.

Backstepping-based cooperative and adaptive tracking control design for a group of underactuated AUVs in horizontal plan

NASA Astrophysics Data System (ADS)

Ghommam, Jawhar; Saad, Maarouf

2014-05-01

In this paper, we investigate new implementable cooperative adaptive backstepping controllers for a group of underactuated autonomous vehicles that are communicating with their local neighbours to track a time-varying virtual leader of which the relative position may only be available to a portion of the team members. At the kinematic cooperative control level of the autonomous underwater vehicle, the virtual cooperative controller is basically designed on a proportional and derivative consensus algorithm presented in Ren (2010), which involves velocity information from local neighbours. In this paper, we propose a new design algorithm based on singular perturbation theory that precludes the use of the neighbours' velocity information in the cooperative design. At the dynamic cooperative control level, calculation of the partial derivatives of some stabilising functions which in turn will contain velocity information from the local neighbours is required. To facilitate the implementation of the cooperative controllers, we propose a command filter approach technique to avoid analytic differentiation of the virtual cooperative control laws. We show how Lyapunov-based techniques and graph theory can be combined together to yield a robust cooperative controller where the uncertain dynamics of the cooperating vehicles and the constraints on the communication topology which contains a directed spanning tree are explicitly taken into account. Simulation results with a dynamic model of underactuated autonomous underwater vehicles moving on the horizontal plane are presented and discussed.

Effects of non-local electron transport in one-dimensional and two-dimensional simulations of shock-ignited inertial confinement fusion targets

NASA Astrophysics Data System (ADS)

Marocchino, A.; Atzeni, S.; Schiavi, A.

2014-01-01

In some regions of a laser driven inertial fusion target, the electron mean-free path can become comparable to or even longer than the electron temperature gradient scale-length. This can be particularly important in shock-ignited (SI) targets, where the laser-spike heated corona reaches temperatures of several keV. In this case, thermal conduction cannot be described by a simple local conductivity model and a Fick's law. Fluid codes usually employ flux-limited conduction models, which preserve causality, but lose important features of the thermal flow. A more accurate thermal flow modeling requires convolution-like non-local operators. In order to improve the simulation of SI targets, the non-local electron transport operator proposed by Schurtz-Nicolaï-Busquet [G. P. Schurtz et al., Phys. Plasmas 7, 4238 (2000)] has been implemented in the DUED fluid code. Both one-dimensional (1D) and two-dimensional (2D) simulations of SI targets have been performed. 1D simulations of the ablation phase highlight that while the shock profile and timing might be mocked up with a flux-limiter; the electron temperature profiles exhibit a relatively different behavior with no major effects on the final gain. The spike, instead, can only roughly be reproduced with a fixed flux-limiter value. 1D target gain is however unaffected, provided some minor tuning of laser pulses. 2D simulations show that the use of a non-local thermal conduction model does not affect the robustness to mispositioning of targets driven by quasi-uniform laser irradiation. 2D simulations performed with only two final polar intense spikes yield encouraging results and support further studies.

Simulating protein folding initiation sites using an alpha-carbon-only knowledge-based force field

PubMed Central

Buck, Patrick M.; Bystroff, Christopher

2015-01-01

Protein folding is a hierarchical process where structure forms locally first, then globally. Some short sequence segments initiate folding through strong structural preferences that are independent of their three-dimensional context in proteins. We have constructed a knowledge-based force field in which the energy functions are conditional on local sequence patterns, as expressed in the hidden Markov model for local structure (HMMSTR). Carbon-alpha force field (CALF) builds sequence specific statistical potentials based on database frequencies for α-carbon virtual bond opening and dihedral angles, pairwise contacts and hydrogen bond donor-acceptor pairs, and simulates folding via Brownian dynamics. We introduce hydrogen bond donor and acceptor potentials as α-carbon probability fields that are conditional on the predicted local sequence. Constant temperature simulations were carried out using 27 peptides selected as putative folding initiation sites, each 12 residues in length, representing several different local structure motifs. Each 0.6 μs trajectory was clustered based on structure. Simulation convergence or representativeness was assessed by subdividing trajectories and comparing clusters. For 21 of the 27 sequences, the largest cluster made up more than half of the total trajectory. Of these 21 sequences, 14 had cluster centers that were at most 2.6 Å root mean square deviation (RMSD) from their native structure in the corresponding full-length protein. To assess the adequacy of the energy function on nonlocal interactions, 11 full length native structures were relaxed using Brownian dynamics simulations. Equilibrated structures deviated from their native states but retained their overall topology and compactness. A simple potential that folds proteins locally and stabilizes proteins globally may enable a more realistic understanding of hierarchical folding pathways. PMID:19137613

The neglected nonlocal effects of deforestation

NASA Astrophysics Data System (ADS)

Winckler, Johannes; Reick, Christian; Pongratz, Julia

2017-04-01

Deforestation changes surface temperature locally via biogeophysical effects by changing the water, energy and momentum balance. Adding to these locally induced changes (local effects), deforestation at a given location can cause changes in temperature elsewhere (nonlocal effects). Most previous studies have not considered local and nonlocal effects separately, but investigated the total (local plus nonlocal) effects, for which global deforestation was found to cause a global mean cooling. Recent modeling and observational studies focused on the isolated local effects: The local effects are relevant for local living conditions, and they can be obtained from in-situ and satellite observations. Observational studies suggest that the local effects of potential deforestation cause a warming when averaged globally. This contrast between local warming and total cooling indicates that the nonlocal effects of deforestation are causing a cooling and thus counteract the local effects. It is still unclear how the nonlocal effects depend on the spatial scale of deforestation, and whether they still compensate the local warming in a more realistic spatial distribution of deforestation. To investigate this, we use a fully coupled climate model and separate local and nonlocal effects of deforestation in three steps: Starting from a forest world, we simulate deforestation in one out of four grid boxes using a regular spatial pattern and increase the number of deforestation grid boxes step-wise up to three out of four boxes in subsequent simulations. To compare these idealized spatial distributions of deforestation to a more realistic case, we separate local and nonlocal effects in a simulation where deforestation is applied in regions where it occurred historically. We find that the nonlocal effects scale nearly linearly with the number of deforested grid boxes, and the spatial distribution of the nonlocal effects is similar for the regular spatial distribution of deforestation and the more realistic pattern. Globally averaged, the deforestation-induced warming of the local effects is counteracted by the nonlocal effects, which are about three times as strong as the local effects (up to 0.1K local warming versus -0.3K nonlocal cooling). Thus, the nonlocal effects are more cooling than the local effects are warming, and this is valid not only for idealized simulations of large-scale deforestation, but also for a more realistic deforestation scenario. We conclude that the local effects of deforestation only yield an incomplete picture of the total climate effects by biogeophysical pathways. While the local effects capture the direct climatic response at the site of deforestation, the nonlocal effects have to be included if the biogeophysical effects of deforestation are considered for an implementation in climate policies.

An intercomparison of GCM and RCM dynamical downscaling for characterizing the hydroclimatology of California and Nevada

NASA Astrophysics Data System (ADS)

Xu, Z.; Rhoades, A.; Johansen, H.; Ullrich, P. A.; Collins, W. D.

2017-12-01

Dynamical downscaling is widely used to properly characterize regional surface heterogeneities that shape the local hydroclimatology. However, the factors in dynamical downscaling, including the refinement of model horizontal resolution, large-scale forcing datasets and dynamical cores, have not been fully evaluated. Two cutting-edge global-to-regional downscaling methods are used to assess these, specifically the variable-resolution Community Earth System Model (VR-CESM) and the Weather Research & Forecasting (WRF) regional climate model, under different horizontal resolutions (28, 14, and 7 km). Two groups of WRF simulations are driven by either the NCEP reanalysis dataset (WRF_NCEP) or VR-CESM outputs (WRF_VRCESM) to evaluate the effects of the large-scale forcing datasets. The impacts of dynamical core are assessed by comparing the VR-CESM simulations to the coupled WRF_VRCESM simulations with the same physical parameterizations and similar grid domains. The simulated hydroclimatology (i.e., total precipitation, snow cover, snow water equivalent and surface temperature) are compared with the reference datasets. The large-scale forcing datasets are critical to the WRF simulations in more accurately simulating total precipitation, SWE and snow cover, but not surface temperature. Both the WRF and VR-CESM results highlight that no significant benefit is found in the simulated hydroclimatology by just increasing horizontal resolution refinement from 28 to 7 km. Simulated surface temperature is sensitive to the choice of dynamical core. WRF generally simulates higher temperatures than VR-CESM, alleviates the systematic cold bias of DJF temperatures over the California mountain region, but overestimates the JJA temperature in California's Central Valley.

Simulation of nitrate reduction in groundwater - An upscaling approach from small catchments to the Baltic Sea basin

NASA Astrophysics Data System (ADS)

Hansen, A. L.; Donnelly, C.; Refsgaard, J. C.; Karlsson, I. B.

2018-01-01

This paper describes a modeling approach proposed to simulate the impact of local-scale, spatially targeted N-mitigation measures for the Baltic Sea Basin. Spatially targeted N-regulations aim at exploiting the considerable spatial differences in the natural N-reduction taking place in groundwater and surface water. While such measures can be simulated using local-scale physically-based catchment models, use of such detailed models for the 1.8 million km2 Baltic Sea basin is not feasible due to constraints on input data and computing power. Large-scale models that are able to simulate the Baltic Sea basin, on the other hand, do not have adequate spatial resolution to simulate some of the field-scale measures. Our methodology combines knowledge and results from two local-scale physically-based MIKE SHE catchment models, the large-scale and more conceptual E-HYPE model, and auxiliary data in order to enable E-HYPE to simulate how spatially targeted regulation of agricultural practices may affect N-loads to the Baltic Sea. We conclude that the use of E-HYPE with this upscaling methodology enables the simulation of the impact on N-loads of applying a spatially targeted regulation at the Baltic Sea basin scale to the correct order-of-magnitude. The E-HYPE model together with the upscaling methodology therefore provides a sound basis for large-scale policy analysis; however, we do not expect it to be sufficiently accurate to be useful for the detailed design of local-scale measures.

Network model of top-down influences on local gain and contextual interactions in visual cortex.

PubMed

Piëch, Valentin; Li, Wu; Reeke, George N; Gilbert, Charles D

2013-10-22

The visual system uses continuity as a cue for grouping oriented line segments that define object boundaries in complex visual scenes. Many studies support the idea that long-range intrinsic horizontal connections in early visual cortex contribute to this grouping. Top-down influences in primary visual cortex (V1) play an important role in the processes of contour integration and perceptual saliency, with contour-related responses being task dependent. This suggests an interaction between recurrent inputs to V1 and intrinsic connections within V1 that enables V1 neurons to respond differently under different conditions. We created a network model that simulates parametrically the control of local gain by hypothetical top-down modification of local recurrence. These local gain changes, as a consequence of network dynamics in our model, enable modulation of contextual interactions in a task-dependent manner. Our model displays contour-related facilitation of neuronal responses and differential foreground vs. background responses over the neuronal ensemble, accounting for the perceptual pop-out of salient contours. It quantitatively reproduces the results of single-unit recording experiments in V1, highlighting salient contours and replicating the time course of contextual influences. We show by means of phase-plane analysis that the model operates stably even in the presence of large inputs. Our model shows how a simple form of top-down modulation of the effective connectivity of intrinsic cortical connections among biophysically realistic neurons can account for some of the response changes seen in perceptual learning and task switching.

The Impacts of Miyun Reservoirs on Local Climate: A Modeling Study Using WRF-Lake Model

NASA Astrophysics Data System (ADS)

Wang, F.; Xing, Y.; Sun, T.; Ni, G.

2016-12-01

Large reservoirs, where a great volume of water is stored for various purposes (e.g. hydropower generation, irrigation, transportation, recreation, etc.), play a key role in regional hydrological cycles as well as in modulating the local climate. In particular, to understand the impacts of reservoirs on local climate, numeric simulations are widely conducted using different weather prediction (NWP) models. However, some of these NWP models treat reservoirs as water surfaces with prescribed surface temperatures and thus the hydrothermal dynamics within water bodies are missing. In this study, we use the Weather Research Forecasting (WRF) model coupled with a lake module, which is equipped with the ability to simulate full thermal dynamics of water, to examine the impacts of Miyun Reservoir, the largest reservoir in Beijing, on the local climate. Simulations are conducted from July 1 to August 1, 2010 in a one-way nesting mode of three spatial resolutions (i.e., 9 km, 3 km and 1 km). Comparison between the simulation results and observations shows a general agreement and demonstrates the ability of WRF-Lake in simulating the summertime climate in the study area. The simulation results indicate the Miyun Reservoir significantly reduces daytime air temperature at 2 m above the water surface and its surroundings by a maximum of 4 K as compared with the case without a reservoir, and such impacts diminish at a distance of 90 km from the reservoir center (a decrease of 0.2 K). At night, a maximum increase of 1.4 K is simulated for the air temperature above the reservoir, but the influencing area is very limited. The reservoir also increases the local air specific humidity by 0.0025 kg kg-1. In addition to near surface meteorology, surface energy balance is remarkably changed as compared to the case without a reservoir: a daytime decrease of 100 W m-2 and a nighttime increase of 15 W m-2are simulated for the sensible heat flux. It is noteworthy that the latent heat flux decreases in the daytime and slightly increases at night. It should also be noted that the influencing area is strongly dependent on the wind direction. This study provides a better understanding of the water-atmosphere interactions by reservoirs and their impacts on local climate.

Convection links biomass burning to increased tropical ozone - However, models will tend to overpredict O3

NASA Technical Reports Server (NTRS)

Chatfield, Robert B.; Delany, Anthony C.

1990-01-01

Biomass burning throughout the inhabited portions of the tropics generates precursors which lead to significant local atmospheric ozone pollution. Several simulations show how this smog could be only an easily observed, local manifestation of a much broader increase in tropospheric ozone. The basic processes are illustrated with a one-dimensional time-dependent model that is closer to true meteorological motions than commonly used eddy diffusion models. Its application to a representative region of South America gives reasonable simulations of the local pollutants measured there. Three illustrative simulations indicate the importance of dilution, principally due to vertical transport, in increasing the efficiency of ozone production, possibly enough for high ozone to be apparent on a very large, intercontinental scale.

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-08-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River Basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow-paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW simulation environment, and the PEST tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop log-normally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow-paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

Complexity and Intermittent Turbulence in Space Plasmas

NASA Technical Reports Server (NTRS)

Chang, Tom; Tam, Sunny W. Y.; Wu, Cheng-Chin

2004-01-01

Sporadic and localized interactions of coherent structures arising from plasma resonances can be the origin of "complexity" of the coexistence of non- propagating spatiotemporal fluctuations and propagating modes in space plasmas. Numerical simulation results are presented to demonstrate the intermittent character of the non-propagating fluctuations. The technique of the dynamic renormalization-group is introduced and applied to the study of scale invariance of such type of multiscale fluctuations. We also demonstrate that the particle interactions with the intermittent turbulence can lead to the efficient energization of the plasma populations. An example related to the ion acceleration processes in the auroral zone is provided.

Large-scale drivers of local precipitation extremes in convection-permitting climate simulations

NASA Astrophysics Data System (ADS)

Chan, Steven C.; Kendon, Elizabeth J.; Roberts, Nigel M.; Fowler, Hayley J.; Blenkinsop, Stephen

2016-04-01

The Met Office 1.5-km UKV convective-permitting models (CPM) is used to downscale present-climate and RCP8.5 60-km HadGEM3 GCM simulations. Extreme UK hourly precipitation intensities increase with local near-surface temperatures and humidity; for temperature, the simulated increase rate for the present-climate simulation is about 6.5% K**-1, which is consistent with observations and theoretical expectations. While extreme intensities are higher in the RCP8.5 simulation as higher temperatures are sampled, there is a decline at the highest temperatures due to circulation and relative humidity changes. Extending the analysis to the broader synoptic scale, it is found that circulation patterns, as diagnosed by MSLP or circulation type, play an increased role in the probability of extreme precipitation in the RCP8.5 simulation. Nevertheless for both CPM simulations, vertical instability is the principal driver for extreme precipitation.

Research on the deformation and failure evolution of sandstone under triaxial compression based on PFC2D

NASA Astrophysics Data System (ADS)

Yang, X. B.; Han, X. X.; Zhou, T. B.; Liu, E. L.

2017-04-01

Through the comparative analysis of the results of the triaxial compression experiments of sandstone and the numerical simulation results of particle flow code PFC2D under the same conditions, the typical simulation curve and the corresponding simulation process were selected to analyze the evolution characteristics of the surface deformation field, the evolution characteristics of the velocity field and displacement field of the deformation localization bands of sandstone under triaxial compression. Research results show that the changes of the velocities and displacements of deformation localization bands corresponds to the change of stress during compression; In the same deformation localization band, the dislocation velocities are always in the same direction, but in the direction vertical to the localization band, the localization band sometimes squeezes and sometimes stretches; At different positions of the same deformation localization band, the dislocation velocities and extrusion velocities are both different at the same time; In the post-peak stage of loading, along the same deformation localization band, the dislocation displacements close to both loaded ends are generally greater than the ones near to the middle position of the specimen, the stretching displacements close to both loaded ends are generally smaller than the ones near to the middle position of the specimen.

Photoexcited energy transfer in a weakly coupled dimer

DOE PAGES

Hernandez, Laura Alfonso; Nelson, Tammie; Tretiak, Sergei; ...

2015-01-08

Nonadiabatic excited-state molecular dynamics (NA-ESMD) simulations have been performed in order to study the time-dependent exciton localization during energy transfer between two chromophore units of the weakly coupled anthracene dimer dithia-anthracenophane (DTA). Simulations are done at both low temperature (10 K) and room temperature (300 K). The initial photoexcitation creates an exciton which is primarily localized on a single monomer unit. Subsequently, the exciton experiences an ultrafast energy transfer becoming localized on either one monomer unit or the other, whereas delocalization between both monomers never occurs. In half of the trajectories, the electronic transition density becomes completely localized on themore » same monomer as the initial excitation, while in the other half, it becomes completely localized on the opposite monomer. In this article, we present an analysis of the energy transfer dynamics and the effect of thermally induced geometry distortions on the exciton localization. Finally, simulated fluorescence anisotropy decay curves for both DTA and the monomer unit dimethyl anthracene (DMA) are compared. As a result, our analysis reveals that changes in the transition density localization caused by energy transfer between two monomers in DTA is not the only source of depolarization and exciton relaxation within a single DTA monomer unit can also cause reorientation of the transition dipole.« less

Photoexcited Energy Transfer in a Weakly Coupled Dimer.

PubMed

Alfonso Hernandez, Laura; Nelson, Tammie; Tretiak, Sergei; Fernandez-Alberti, Sebastian

2015-06-18

Nonadiabatic excited-state molecular dynamics (NA-ESMD) simulations have been performed in order to study the time-dependent exciton localization during energy transfer between two chromophore units of the weakly coupled anthracene dimer dithia-anthracenophane (DTA). Simulations are done at both low temperature (10 K) and room temperature (300 K). The initial photoexcitation creates an exciton which is primarily localized on a single monomer unit. Subsequently, the exciton experiences an ultrafast energy transfer becoming localized on either one monomer unit or the other, whereas delocalization between both monomers never occurs. In half of the trajectories, the electronic transition density becomes completely localized on the same monomer as the initial excitation, while in the other half, it becomes completely localized on the opposite monomer. In this article, we present an analysis of the energy transfer dynamics and the effect of thermally induced geometry distortions on the exciton localization. Finally, simulated fluorescence anisotropy decay curves for both DTA and the monomer unit dimethyl anthracene (DMA) are compared. Our analysis reveals that changes in the transition density localization caused by energy transfer between two monomers in DTA is not the only source of depolarization and exciton relaxation within a single DTA monomer unit can also cause reorientation of the transition dipole.

Effects of Boric Acid on Fracture Healing: An Experimental Study.

PubMed

Gölge, Umut Hatay; Kaymaz, Burak; Arpaci, Rabia; Kömürcü, Erkam; Göksel, Ferdi; Güven, Mustafa; Güzel, Yunus; Cevizci, Sibel

2015-10-01

Boric acid (BA) has positive effects on bone tissue. In this study, the effects of BA on fracture healing were evaluated in an animal model. Standard closed femoral shaft fractures were created in 40 male Sprague-Dawley rats under general anesthesia. The rats were allocated into five groups (n = 8 each): group 1, control with no BA; groups 2 and 3, oral BA at doses of 4 and 8 mg/kg/day, respectively; group 4, local BA (8 mg/kg); and group 5, both oral and local BA (8 mg/kg/day orally and 8 mg/kg locally). After closed fracture creation, the fracture line was opened with a mini-incision, and BA was locally administered to the fracture area in groups 4 and 5. In groups 2, 3, and 5, BA was administered by gastric gavage daily until sacrifice. The rats were evaluated by clinical, radiological, and histological examinations. The control group (group 1) significantly differed from the local BA-exposed groups (groups 4 and 5) in the clinical evaluation. Front-rear and lateral radiographs revealed significant differences between the local BA-exposed groups and the control and other groups (p < 0.05). Clinical and radiological evaluations demonstrated adequate agreement between observers. The average histological scores significantly differed across groups (p = 0.007) and were significantly higher in groups 4 and 5 which were the local BA (8 mg/kg) and both oral and local BA (8 mg/kg/day orally and 8 mg/kg locally), respectively, compared to the controls. This study suggests that BA may be useful in fracture healing. Further research is required to demonstrate the most effective local dosage and possible use of BA-coated implants.

Effective representation of amide III, II, I, and A modes on local vibrational modes: Analysis of ab initio quantum calculation results.

PubMed

Hahn, Seungsoo

2016-10-28

The Hamiltonian matrix for the first excited vibrational states of a protein can be effectively represented by local vibrational modes constituting amide III, II, I, and A modes to simulate various vibrational spectra. Methods for obtaining the Hamiltonian matrix from ab initio quantum calculation results are discussed, where the methods consist of three steps: selection of local vibrational mode coordinates, calculation of a reduced Hessian matrix, and extraction of the Hamiltonian matrix from the Hessian matrix. We introduce several methods for each step. The methods were assessed based on the density functional theory calculation results of 24 oligopeptides with four different peptide lengths and six different secondary structures. The completeness of a Hamiltonian matrix represented in the reduced local mode space is improved by adopting a specific atom group for each amide mode and reducing the effect of ignored local modes. The calculation results are also compared to previous models using C=O stretching vibration and transition dipole couplings. We found that local electric transition dipole moments of the amide modes are mainly bound on the local peptide planes. Their direction and magnitude are well conserved except amide A modes, which show large variation. Contrary to amide I modes, the vibrational coupling constants of amide III, II, and A modes obtained by analysis of a dipeptide are not transferable to oligopeptides with the same secondary conformation because coupling constants are affected by the surrounding atomic environment.

Local-area simulations of rotating compressible convection and associated mean flows

NASA Technical Reports Server (NTRS)

Hurlburt, Neal E.; Brummell, N. H.; Toomre, Juri

1995-01-01

The dynamics of compressible convection within a curved local segment of a rotating spherical shell are considered in relation to the turbulent redistribution of angular momentum within the solar convection zone. Current supercomputers permit fully turbulent flows to be considered within the restricted geometry of local area models. By considering motions in a curvilinear geometry in which the Coriolos parameters vary with latitude, Rossby waves which couple with the turbulent convection are thought of as being possible. Simulations of rotating convection are presented in such a curved local segment of a spherical shell using a newly developed, sixth-order accurate code based on compact finite differences.

Advanced local area network concepts

NASA Technical Reports Server (NTRS)

Grant, Terry

1985-01-01

Development of a good model of the data traffic requirements for Local Area Networks (LANs) onboard the Space Station is the driving problem in this work. A parameterized workload model is under development. An analysis contract has been started specifically to capture the distributed processing requirements for the Space Station and then to develop a top level model to simulate how various processing scenarios can handle the workload and what data communication patterns result. A summary of the Local Area Network Extendsible Simulator 2 Requirements Specification and excerpts from a grant report on the topological design of fiber optic local area networks with application to Expressnet are given.

RURALSIM: the design and implementation of a rural EMS simulator.

PubMed

Shuman, L J; Wolfe, H; Gunter, M J

1992-01-01

Why were these applications of simulation technology unsuccessful? Parochialism, the volunteer nature of EMS planning, and limited regional commitment to resolve such complex problems at the local level all combined to present significant barriers to implementation. Political factors which posed the most significant barriers included: conservative attitudes concerning the funding and regulation of EMS activities by local governments; general opposition to governmental intervention in the private sector; strong resistance to mandatory standards for EMS; jurisdictional disputes between EMS-related agencies; lack of cooperation between the local governments; competition between prehospital-care providers and between hospitals; overemphasis on local jurisdictional boundaries in the planning and delivery of services; and the allocation of EMS resources, such as ambulances, according to political priorities, rather than more objective criteria. Based upon the results of the four field tests, the following observations are relevant: 1. RURALSIM is a very complex simulator. While every effort was made to assure generalizability, for any given situation, it required extensive modification and tailoring. The result was a model capable of handling a rather diverse set of situations, but one that could not be turned over to the general public for use. To implement RURALSIM required the participation of the University of Pittsburgh research team. The newer simulation languages now available alleviate this problem somewhat. 2. RURALSIM's complexity was needed to examine the different alternatives proposed by local planners. It was particularly needed in order to simulate each region's existing system. Such "base-line" simulations were required in order to achieve face validity and provide a basis for comparing alternatives. 3. With hindsight, a major weakness was the limited amount of face-to-face interaction between local planners and decision makers and the University of Pittsburgh staff. Only two trips to the region were budgeted. This proved to be insufficient and placed too much responsibility for model interpretation and analysis on the local contractors. 4. In none of the four test sites did the contractors and/or local health planners have the authority, influence and/or incentives necessary to develop regional EMS systems. In particular, none of the contractors were in the position to be decision makers, nor was there ever only one decision maker. This is not a criticism of the contractors, who did their best under difficult circumstances. Rather, it is a criticism of the state of eMS system development in the US in the early 1980s. There were few examples where regional systems developed successfully in the face of serious opposition from local interests.(ABSTRACT TRUNCATED AT 400 WORDS)

Pre-simulation orientation for medical trainees: An approach to decrease anxiety and improve confidence and performance.

PubMed

Bommer, Cassidy; Sullivan, Sarah; Campbell, Krystle; Ahola, Zachary; Agarwal, Suresh; O'Rourke, Ann; Jung, Hee Soo; Gibson, Angela; Leverson, Glen; Liepert, Amy E

2018-02-01

We assessed the effect of basic orientation to the simulation environment on anxiety, confidence, and clinical decision making. Twenty-four graduating medical students participated in a two-week surgery preparatory curriculum, including three simulations. Baseline anxiety was assessed pre-course. Scenarios were completed on day 2 and day 9. Prior to the first simulation, participants were randomly divided into two groups. Only one group received a pre-simulation orientation. Before the second simulation, all students received the same orientation. Learner anxiety was reported immediately preceding and following each simulation. Confidence was assessed post-simulation. Performance was evaluated by surgical faculty. The oriented group experienced decreased anxiety following the first simulation (p = 0.003); the control group did not. Compared to the control group, the oriented group reported less anxiety and greater confidence and received higher performance scores following all three simulations (all p < 0.05). Pre-simulation orientation reduces anxiety while increasing confidence and improving performance. Copyright © 2017 Elsevier Inc. All rights reserved.

Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents.

PubMed

Cruz, Gustavo N; Lima, Filipe S; Dias, Luís G; El Seoud, Omar A; Horinek, Dominik; Chaimovich, Hernan; Cuccovia, Iolanda M

2015-09-04

The dediazoniation of aryldiazonium salts in mixed solvents proceeds by a borderline SN1 and SN2 pathway, and product distribution should be proportional to the composition of the solvation shell of the carbon attached to the -N2 group (ipso carbon). The rates of dediazoniation of 2,4,6-trimethylbenzenediazonium in water, methanol, ethanol, propanol, and acetonitrile were similar, but measured product distributions were noticeably dependent on the nature of the water/cosolvent mixture. Here we demonstrated that solvent distribution in the first solvation shell of the ipso carbon, calculated from classical molecular dynamics simulations, is equal to the measured product distribution. Furthermore, we showed that regardless of the charge distribution of the initial state, i.e., whether the positive charge is smeared over the molecule or localized on phenyl moiety, the solvent distribution around the reaction center is nearly the same.

Data classification using metaheuristic Cuckoo Search technique for Levenberg Marquardt back propagation (CSLM) algorithm

NASA Astrophysics Data System (ADS)

Nawi, Nazri Mohd.; Khan, Abdullah; Rehman, M. Z.

2015-05-01

A nature inspired behavior metaheuristic techniques which provide derivative-free solutions to solve complex problems. One of the latest additions to the group of nature inspired optimization procedure is Cuckoo Search (CS) algorithm. Artificial Neural Network (ANN) training is an optimization task since it is desired to find optimal weight set of a neural network in training process. Traditional training algorithms have some limitation such as getting trapped in local minima and slow convergence rate. This study proposed a new technique CSLM by combining the best features of two known algorithms back-propagation (BP) and Levenberg Marquardt algorithm (LM) for improving the convergence speed of ANN training and avoiding local minima problem by training this network. Some selected benchmark classification datasets are used for simulation. The experiment result show that the proposed cuckoo search with Levenberg Marquardt algorithm has better performance than other algorithm used in this study.

Mixed-order phase transition of the contact process near multiple junctions.

PubMed

Juhász, Róbert; Iglói, Ferenc

2017-02-01

We have studied the phase transition of the contact process near a multiple junction of M semi-infinite chains by Monte Carlo simulations. As opposed to the continuous transitions of the translationally invariant (M=2) and semi-infinite (M=1) system, the local order parameter is found to be discontinuous for M>2. Furthermore, the temporal correlation length diverges algebraically as the critical point is approached, but with different exponents on the two sides of the transition. In the active phase, the estimate is compatible with the bulk value, while in the inactive phase it exceeds the bulk value and increases with M. The unusual local critical behavior is explained by a scaling theory with an irrelevant variable, which becomes dangerous in the inactive phase. Quenched spatial disorder is found to make the transition continuous in agreement with earlier renormalization group results.

Reproducing the local and global morphological segregation between S and S0 galaxies in rich clusters by simple ram-pressure stripping

NASA Astrophysics Data System (ADS)

Solanes, Jose M.; Salvador-Sole, Eduardo

1992-08-01

We calculate the morphological segregation in rich galaxy clusters expected to arise from the possible evolution of S galaxies into S0 galaxies via the gas removal of their disks by ram-pressure stripping. The calculation is run on Monte Carlo simulations by following individual S galaxies in the potential well of a spherical anisotropic cluster making use of Gunn and Gott's (1972) stripping condition. The results are compared with both Dressler's (1980) local type/density relation and a global population-richness correlation inferred from real data in the present work. We find that, contrary to a rather extended opinion, this evolution scheme reproduces very well the observed morphological segregation between S and S0 galaxies in rich clusters provided that the initial populations are close to those i dense loose groups.

Bounding entanglement spreading after a local quench

NASA Astrophysics Data System (ADS)

Drumond, Raphael C.; Móller, Natália S.

2017-06-01

We consider the variation of von Neumann entropy of subsystem reduced states of general many-body lattice spin systems due to local quantum quenches. We obtain Lieb-Robinson-like bounds that are independent of the subsystem volume. The main assumptions are that the Hamiltonian satisfies a Lieb-Robinson bound and that the volume of spheres on the lattice grows at most exponentially with their radius. More specifically, the bound exponentially increases with time but exponentially decreases with the distance between the subsystem and the region where the quench takes place. The fact that the bound is independent of the subsystem volume leads to stronger constraints (than previously known) on the propagation of information throughout many-body systems. In particular, it shows that bipartite entanglement satisfies an effective "light cone," regardless of system size. Further implications to t density-matrix renormalization-group simulations of quantum spin chains and limitations to the propagation of information are discussed.

Models in search of a brain.

PubMed

Love, Bradley C; Gureckis, Todd M

2007-06-01

Mental localization efforts tend to stress the where more than the what. We argue that the proper targets for localization are well-specified cognitive models. We make this case by relating an existing cognitive model of category learning to a learning circuit involving the hippocampus, perirhinal, and prefrontal cortices. Results from groups varying in function along this circuit (e.g., infants, amnesics, and older adults) are successfully simulated by reducing the model's ability to form new clusters in response to surprising events, such as an error in supervised learning or an unfamiliar stimulus in unsupervised learning. Clusters in the model are akin to conjunctive codes that are rooted in an episodic experience (the surprising event) yet can develop to resemble abstract codes as they are updated by subsequent experiences. Thus, the model holds that the line separating episodic and semantic information can become blurred. Dissociations (categorization vs. recognition) are explained in terms of cluster recruitment demands.

Integrated data lookup and replication scheme in mobile ad hoc networks

NASA Astrophysics Data System (ADS)

Chen, Kai; Nahrstedt, Klara

2001-11-01

Accessing remote data is a challenging task in mobile ad hoc networks. Two problems have to be solved: (1) how to learn about available data in the network; and (2) how to access desired data even when the original copy of the data is unreachable. In this paper, we develop an integrated data lookup and replication scheme to solve these problems. In our scheme, a group of mobile nodes collectively host a set of data to improve data accessibility for all members of the group. They exchange data availability information by broadcasting advertising (ad) messages to the group using an adaptive sending rate policy. The ad messages are used by other nodes to derive a local data lookup table, and to reduce data redundancy within a connected group. Our data replication scheme predicts group partitioning based on each node's current location and movement patterns, and replicates data to other partitions before partitioning occurs. Our simulations show that data availability information can quickly propagate throughout the network, and that the successful data access ratio of each node is significantly improved.

Desktop-VR system for preflight 3D navigation training

NASA Astrophysics Data System (ADS)

Aoki, Hirofumi; Oman, Charles M.; Buckland, Daniel A.; Natapoff, Alan

Crews who inhabit spacecraft with complex 3D architecture frequently report inflight disorientation and navigation problems. Preflight virtual reality (VR) training may reduce those risks. Although immersive VR techniques may better support spatial orientation training in a local environment, a non-immersive desktop (DT) system may be more convenient for navigation training in "building scale" spaces, especially if the two methods achieve comparable results. In this study trainees' orientation and navigation performance during simulated space station emergency egress tasks was compared while using immersive head-mounted display (HMD) and DT-VR systems. Analyses showed no differences in pointing angular-error or egress time among the groups. The HMD group was significantly faster than DT group when pointing from destination to start location and from start toward different destination. However, this may be attributed to differences in the input device used (a head-tracker for HMD group vs. a keyboard touchpad or a gamepad in the DT group). All other 3D navigation performance measures were similar using the immersive and non-immersive VR systems, suggesting that the simpler desktop VR system may be useful for astronaut 3D navigation training.

Predictive simulation of guide-wave structural health monitoring

NASA Astrophysics Data System (ADS)

Giurgiutiu, Victor

2017-04-01

This paper presents an overview of recent developments on predictive simulation of guided wave structural health monitoring (SHM) with piezoelectric wafer active sensor (PWAS) transducers. The predictive simulation methodology is based on the hybrid global local (HGL) concept which allows fast analytical simulation in the undamaged global field and finite element method (FEM) simulation in the local field around and including the damage. The paper reviews the main results obtained in this area by researchers of the Laboratory for Active Materials and Smart Structures (LAMSS) at the University of South Carolina, USA. After thematic introduction and research motivation, the paper covers four main topics: (i) presentation of the HGL analysis; (ii) analytical simulation in 1D and 2D; (iii) scatter field generation; (iv) HGL examples. The paper ends with summary, discussion, and suggestions for future work.

Ligand structure and mechanical properties of single-nanoparticle-thick membranes.

PubMed

Salerno, K Michael; Bolintineanu, Dan S; Lane, J Matthew D; Grest, Gary S

2015-06-01

The high mechanical stiffness of single-nanoparticle-thick membranes is believed to result from the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with a nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH(3)) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Moreover, the particular end group (COOH or CH(3)) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.

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

Salerno, Kenneth Michael; Bolintineanu, Dan S.; Lane, J. Matthew D.

We believe that the high mechanical stiffness of single-nanoparticle-thick membranes is the result of the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with amore » nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH 3) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Additionally, the particular end group (COOH or CH 3) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.« less

Capabilities of current wildfire models when simulating topographical flow

NASA Astrophysics Data System (ADS)

Kochanski, A.; Jenkins, M.; Krueger, S. K.; McDermott, R.; Mell, W.

2009-12-01

Accurate predictions of the growth, spread and suppression of wild fires rely heavily on the correct prediction of the local wind conditions and the interactions between the fire and the local ambient airflow. Resolving local flows, often strongly affected by topographical features like hills, canyons and ridges, is a prerequisite for accurate simulation and prediction of fire behaviors. In this study, we present the results of high-resolution numerical simulations of the flow over a smooth hill, performed using (1) the NIST WFDS (WUI or Wildland-Urban-Interface version of the FDS or Fire Dynamic Simulator), and (2) the LES version of the NCAR Weather Research and Forecasting (WRF-LES) model. The WFDS model is in the initial stages of development for application to wind flow and fire spread over complex terrain. The focus of the talk is to assess how well simple topographical flow is represented by WRF-LES and the current version of WFDS. If sufficient progress has been made prior to the meeting then the importance of the discrepancies between the predicted and measured winds, in terms of simulated fire behavior, will be examined.

Local rules simulation of the kinetics of virus capsid self-assembly.

PubMed

Schwartz, R; Shor, P W; Prevelige, P E; Berger, B

1998-12-01

A computer model is described for studying the kinetics of the self-assembly of icosahedral viral capsids. Solution of this problem is crucial to an understanding of the viral life cycle, which currently cannot be adequately addressed through laboratory techniques. The abstract simulation model employed to address this is based on the local rules theory of. Proc. Natl. Acad. Sci. USA. 91:7732-7736). It is shown that the principle of local rules, generalized with a model of kinetics and other extensions, can be used to simulate complicated problems in self-assembly. This approach allows for a computationally tractable molecular dynamics-like simulation of coat protein interactions while retaining many relevant features of capsid self-assembly. Three simple simulation experiments are presented to illustrate the use of this model. These show the dependence of growth and malformation rates on the energetics of binding interactions, the tolerance of errors in binding positions, and the concentration of subunits in the examples. These experiments demonstrate a tradeoff within the model between growth rate and fidelity of assembly for the three parameters. A detailed discussion of the computational model is also provided.

Consistency-based rectification of nonrigid registrations

PubMed Central

Gass, Tobias; Székely, Gábor; Goksel, Orcun

2015-01-01

Abstract. We present a technique to rectify nonrigid registrations by improving their group-wise consistency, which is a widely used unsupervised measure to assess pair-wise registration quality. While pair-wise registration methods cannot guarantee any group-wise consistency, group-wise approaches typically enforce perfect consistency by registering all images to a common reference. However, errors in individual registrations to the reference then propagate, distorting the mean and accumulating in the pair-wise registrations inferred via the reference. Furthermore, the assumption that perfect correspondences exist is not always true, e.g., for interpatient registration. The proposed consistency-based registration rectification (CBRR) method addresses these issues by minimizing the group-wise inconsistency of all pair-wise registrations using a regularized least-squares algorithm. The regularization controls the adherence to the original registration, which is additionally weighted by the local postregistration similarity. This allows CBRR to adaptively improve consistency while locally preserving accurate pair-wise registrations. We show that the resulting registrations are not only more consistent, but also have lower average transformation error when compared to known transformations in simulated data. On clinical data, we show improvements of up to 50% target registration error in breathing motion estimation from four-dimensional MRI and improvements in atlas-based segmentation quality of up to 65% in terms of mean surface distance in three-dimensional (3-D) CT. Such improvement was observed consistently using different registration algorithms, dimensionality (two-dimensional/3-D), and modalities (MRI/CT). PMID:26158083

Improved non-local electron thermal transport model for two-dimensional radiation hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Cao, Duc; Moses, Gregory; Delettrez, Jacques

2015-08-01

An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.

Synthesis, characterization and computational study of the newly synthetized sulfonamide molecule

NASA Astrophysics Data System (ADS)

Murthy, P. Krishna; Suneetha, V.; Armaković, Stevan; Armaković, Sanja J.; Suchetan, P. A.; Giri, L.; Rao, R. Sreenivasa

2018-02-01

A new compound N-(2,5-dimethyl-4-nitrophenyl)-4-methylbenzenesulfonamide (NDMPMBS) has been derived from 2,5-dimethyl-4-nitroaniline and 4-methylbenzene-1-sulfonyl chloride. Structure was characterized by SCXRD studies and spectroscopic tools. Compound crystallized in the monoclinic crystal system with P21/c space group a = 10.0549, b = 18.967, c = 8.3087, β = 103.18 and Z = 4. Type and nature of intermolecular interaction in crystal state investigated by 3D-Hirshfeld surface and 2D-finger print plots revealed that title compound stabilized by several interactions. The structural and electronic properties of title compound have been calculated at DFT/B3LYP/6-311G++(d,p) level of theory. Computationally obtained spectral data was compared with experimental results, showing excellent mutual agreement. Assignment of each vibrational wave number was done on the basis of potential energy distribution (PED). Investigation of local reactivity descriptors encompassed visualization of molecular electrostatic potential (MEP) and average local ionization energy (ALIE) surfaces, visualization of Fukui functions, natural bond order (NBO) analysis, bond dissociation energies for hydrogen abstraction (H-BDE) and radial distribution functions (RDF) after molecular dynamics (MD) simulations. MD simulations were also used in order to investigate interaction of NDMPMBS molecule with 1WKR and 3ETT proteins protein.

“Local” Dark Energy Outflows Around Galaxy Groups and Rich Clusters

NASA Astrophysics Data System (ADS)

Byrd, Gene G.; Chernin, A. D.; Teerikorpi, P.; Dolgachev, V. P.; Kanter, A. A.; Domozhilova, L. M.; Valtonen, M.

2013-01-01

First detected at large Gpc distances, dark energy is a vacuum energy formulated as Einstein's cosmological constant, Λ. We have found its effects on “small” 1-3 Mpc scales in our Local Group. We have now found these effects in other nearby groups using member Doppler shifts and 3D distances from group centers (Cen A-M83; M81-M82; CV I). For the larger 20-30 Mpc Virgo and Fornax clusters, we now have found similar effects. Observationally, for both groups and clusters, gravity dominates a bound central system. The system gravitation and dark energy create a “zero-gravity” radius (R_{ZG}) from the center where the two balance. Smaller members bound inside R_{ZG} may be pulled out along with the less bound members which recede farther. A linear increase of recession with distance results which approaches a linear global Hubble law. These outflows are seen around groups in cosmological simulations which include galaxies as small as ~10^{-4} of the group mass. Scaled plots of asymptotic recessional velocity, V/(H(R_{ZG})), versus distance/ R_{ZG} of the outer galaxies are very similar for both the small groups and large clusters. This similarity on 1-30 Mpc scales suggests that a quasi-stationary bound central component and an expanding outflow applies to a wide range of groups and clusters due to small scale action of dark energy. Our new text book: Byrd, G., Chernin, A., Terrikorpi, P. and Valtonen, M. 2012, "Paths to Dark Energy: Theory and Observation," de Gruyter, Berlin/Boston, contains background and cosmological simulation plots. Group data and scaled plots are in our new article: A. D. Chernin, P. Teerikorpi, V. P. Dolgachev, A. A. Kanter, L. M. Domozhilova, M. J. Valtonen, and G. G. Byrd, 2012, Astronomy Reports, Vol. 56 , p. 653-669.

Performance Evaluation of PBL Schemes of ARW Model in Simulating Thermo-Dynamical Structure of Pre-Monsoon Convective Episodes over Kharagpur Using STORM Data Sets

NASA Astrophysics Data System (ADS)

Madala, Srikanth; Satyanarayana, A. N. V.; Srinivas, C. V.; Tyagi, Bhishma

2016-05-01

In the present study, advanced research WRF (ARW) model is employed to simulate convective thunderstorm episodes over Kharagpur (22°30'N, 87°20'E) region of Gangetic West Bengal, India. High-resolution simulations are conducted using 1 × 1 degree NCEP final analysis meteorological fields for initial and boundary conditions for events. The performance of two non-local [Yonsei University (YSU), Asymmetric Convective Model version 2 (ACM2)] and two local turbulence kinetic energy closures [Mellor-Yamada-Janjic (MYJ), Bougeault-Lacarrere (BouLac)] are evaluated in simulating planetary boundary layer (PBL) parameters and thermodynamic structure of the atmosphere. The model-simulated parameters are validated with available in situ meteorological observations obtained from micro-meteorological tower as well has high-resolution DigiCORA radiosonde ascents during STORM-2007 field experiment at the study location and Doppler Weather Radar (DWR) imageries. It has been found that the PBL structure simulated with the TKE closures MYJ and BouLac are in better agreement with observations than the non-local closures. The model simulations with these schemes also captured the reflectivity, surface pressure patterns such as wake-low, meso-high, pre-squall low and the convective updrafts and downdrafts reasonably well. Qualitative and quantitative comparisons reveal that the MYJ followed by BouLac schemes better simulated various features of the thunderstorm events over Kharagpur region. The better performance of MYJ followed by BouLac is evident in the lesser mean bias, mean absolute error, root mean square error and good correlation coefficient for various surface meteorological variables as well as thermo-dynamical structure of the atmosphere relative to other PBL schemes. The better performance of the TKE closures may be attributed to their higher mixing efficiency, larger convective energy and better simulation of humidity promoting moist convection relative to non-local schemes.

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.

Evidence for a hydroxide ion bridging two magnesium ions at the active site of the hammerhead ribozyme.

PubMed Central

Hermann, T; Auffinger, P; Scott, W G; Westhof, E

1997-01-01

In the presence of magnesium ions, cleavage by the hammerhead ribozyme RNA at a specific residue leads to 2'3'-cyclic phosphate and 5'-OH extremities. In the cleavage reaction an activated ribose 2'-hydroxyl group attacks its attached 3'-phosphate. Molecular dynamics simulations of the crystal structure of the hammerhead ribozyme, obtained after flash-freezing of crystals under conditions where the ribozyme is active, provide evidence that a mu-bridging OH-ion is located between two Mg2+ions close to the cleavable phosphate. Constrained simulations show further that a flip from the C3'- endo to the C2'- endo conformation of the ribose at the cleavable phosphate brings the 2'-hydroxyl in proximity to both the attacked phosphorous atom and the mu-bridging OH-ion. Thus, the simulations lead to a detailed new insight into the mechanism of hammerhead ribozyme cleavage where a mu-hydroxo bridged magnesium cluster, located on the deep groove side, provides an OH-ion that is able to activate the 2'-hydroxyl nucleophile after a minor and localized conformational change in the RNA. PMID:9254698

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

NASA Astrophysics Data System (ADS)

Somma, Rolando D.

2016-06-01

We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.

Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H.

PubMed

Rausch, Felix; Schicht, Martin; Bräuer, Lars; Paulsen, Friedrich; Brandt, Wolfgang

2014-11-01

Surfactant proteins are well known from the human lung where they are responsible for the stability and flexibility of the pulmonary surfactant system. They are able to influence the surface tension of the gas-liquid interface specifically by directly interacting with single lipids. This work describes the generation of reliable protein structure models to support the experimental characterization of two novel putative surfactant proteins called SP-G and SP-H. The obtained protein models were complemented by predicted posttranslational modifications and placed in a lipid model system mimicking the pulmonary surface. Molecular dynamics simulations of these protein-lipid systems showed the stability of the protein models and the formation of interactions between protein surface and lipid head groups on an atomic scale. Thereby, interaction interface and strength seem to be dependent on orientation and posttranslational modification of the protein. The here presented modeling was fundamental for experimental localization studies and the simulations showed that SP-G and SP-H are theoretically able to interact with lipid systems and thus are members of the surfactant protein family.

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

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

Somma, Rolando D., E-mail: somma@lanl.gov

2016-06-15

We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation ofmore » some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.« less

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

DOE PAGES

Somma, Rolando D.

2016-06-01

In this paper, we present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for themore » quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.« less

Discrete kinetic models from funneled energy landscape simulations.

PubMed

Schafer, Nicholas P; Hoffman, Ryan M B; Burger, Anat; Craig, Patricio O; Komives, Elizabeth A; Wolynes, Peter G

2012-01-01

A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK). In the method, groups of residues are assigned to foldons and these foldons are used to map the conformational space of the protein onto a set of discrete macrobasins. The free energies of the individual macrobasins are then calculated, informing practical kinetic analysis. Two simple assumptions about the universality of the rate for downhill transitions between macrobasins and the natural local connectivity between macrobasins lead to a scheme for predicting overall folding and unfolding rates, generating chevron plots under varying thermodynamic conditions, and inferring dominant kinetic folding pathways. To illustrate the approach, free energies of macrobasins were calculated from biased simulations of a non-additive structure-based model using two structurally motivated foldon definitions at the full and half ankyrin repeat resolutions. The calculated chevrons have features consistent with those measured in stopped flow chemical denaturation experiments. The dominant inferred folding pathway has an "inside-out", nucleation-propagation like character.

A systems approach for the development of a sustainable community--the application of the sensitivity model (SM).

PubMed

Chan, Shih-Liang; Huang, Shu-Li

2004-09-01

Corresponding to the concept of 'Think globally, act locally and plan regionally' of sustainable development, this paper discusses the approach of planning a sustainable community in terms of systems thinking. We apply a systems tool, the sensitivity model (SM), to build a model of the development of the community of Ping-Ding, located adjacent to the Yang-Ming-Shan National Park, Taiwan. The major issue in the development of Ping-Ding is the conflict between environmental conservation and the development of a local tourism industry. With the involvement of local residents, planners, and interest groups, a system model of 26 variables was defined to identify characteristics of Ping-Ding through pattern recognition. Two scenarios concerning the sustainable development of Ping-Ding are simulated with interlinked feedbacks from variables. The results of the analysis indicate that the development of Ping-Ding would be better served by the planning of agriculture and the tourism industry. The advantages and shortfalls of applying SM in the current planning environment of Taiwan are also discussed to conclude this paper.

[Effects of high +Gx during simulated spaceship emergency return on learning and memory in rats].

PubMed

Xu, Zhi-peng; Sun, Xi-qing; Liu, Ting-song; Wu, Bin; Zhang, Shu; Wu, Ping

2005-02-01

To observe the effects of high +Gx during simulated spaceship emergency return on learning and memory in rats. Thirty two male SD rats were randomly divided into control group, 7 d simulated weightlessness group, +15 Gx/180 s group and +15 Gx/180 s exposure after 7 d simulated weightlessness group, with 8 rats in each group. The changes of learning and memory in rats were measured after stresses by means of Y-maze test and step-through test. In Y-maze test, as compared with control group, percentage of correct reactions decreased significantly (P<0.01) and reaction time increased significantly (P<0.01) in hypergravity after simulated weightlessness group at all time after stress; as compared with +15 Gx group or simulated weightlessness group, percentage of correct reactions decreased significantly (P< 0.05) and reaction time increased significantly (P< 0.05) immediately after stress. In step-through test, as compared with control group, total time increased significantly (P<0.01) in hypergravity after simulated weightlessness group at 1 d after stress; latent time decreased significantly (P<0.01) and number of errors increased significantly (P< 0.01) at all the time after stress. As compared with +15 Gx group, total time increased significantly (P<0.05) immediately, 1 d after stress. As compared with simulated weightlessness group, total time and number of errors increased significantly (P<0.05) immediately after stress. It is suggested that +15 Gx/180 s and simulated weightlessness may affect the ability of learning and memory of rats. Simulated weightlessness for 7 d can aggravate the effect of +Gx on learning and memory ability in rats.

The Local Group: Our Galactic Neighborhood.

ERIC Educational Resources Information Center

Hodge, Paul

1987-01-01

Presents information on the properties and largest spirals of the Local Group galaxies. Explains the three categories of galaxies, identifies the brightest members of the Local Group, and discusses recent discoveries within the group. (ML)

The Aurora radiation-hydrodynamical simulations of reionization: calibration and first results

NASA Astrophysics Data System (ADS)

Pawlik, Andreas H.; Rahmati, Alireza; Schaye, Joop; Jeon, Myoungwon; Dalla Vecchia, Claudio

2017-04-01

We introduce a new suite of radiation-hydrodynamical simulations of galaxy formation and reionization called Aurora. The Aurora simulations make use of a spatially adaptive radiative transfer technique that lets us accurately capture the small-scale structure in the gas at the resolution of the hydrodynamics, in cosmological volumes. In addition to ionizing radiation, Aurora includes galactic winds driven by star formation and the enrichment of the universe with metals synthesized in the stars. Our reference simulation uses 2 × 5123 dark matter and gas particles in a box of size 25 h-1 comoving Mpc with a force softening scale of at most 0.28 h-1 kpc. It is accompanied by simulations in larger and smaller boxes and at higher and lower resolution, employing up to 2 × 10243 particles, to investigate numerical convergence. All simulations are calibrated to yield simulated star formation rate functions in close agreement with observational constraints at redshift z = 7 and to achieve reionization at z ≈ 8.3, which is consistent with the observed optical depth to reionization. We focus on the design and calibration of the simulations and present some first results. The median stellar metallicities of low-mass galaxies at z = 6 are consistent with the metallicities of dwarf galaxies in the Local Group, which are believed to have formed most of their stars at high redshifts. After reionization, the mean photoionization rate decreases systematically with increasing resolution. This coincides with a systematic increase in the abundance of neutral hydrogen absorbers in the intergalactic medium.

Nesting large-eddy simulations within mesoscale simulations for wind energy applications

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

Lundquist, J K; Mirocha, J D; Chow, F K

2008-09-08

With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES), which resolve individual atmospheric eddies on length scales smaller than turbine blades and account for complex terrain, are possible with a range of commercial and open-source software, including the Weather Research and Forecasting (WRF) model. In addition to 'local' sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting thatmore » a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecasting model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosovic (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain.« less

Prospective randomized comparison of standard didactic lecture versus high-fidelity simulation for radiology resident contrast reaction management training.

PubMed

Wang, Carolyn L; Schopp, Jennifer G; Petscavage, Jonelle M; Paladin, Angelisa M; Richardson, Michael L; Bush, William H

2011-06-01

The objective of our study was to assess whether high-fidelity simulation-based training is more effective than traditional didactic lecture to train radiology residents in the management of contrast reactions. This was a prospective study of 44 radiology residents randomized into a simulation group versus a lecture group. All residents attended a contrast reaction didactic lecture. Four months later, baseline knowledge was assessed with a written test, which we refer to as the "pretest." After the pretest, the 21 residents in the lecture group attended a repeat didactic lecture and the 23 residents in the simulation group underwent high-fidelity simulation-based training with five contrast reaction scenarios. Next, all residents took a second written test, which we refer to as the "posttest." Two months after the posttest, both groups took a third written test, which we refer to as the "delayed posttest," and underwent performance testing with a high-fidelity severe contrast reaction scenario graded on predefined critical actions. There was no statistically significant difference between the simulation and lecture group pretest, immediate posttest, or delayed posttest scores. The simulation group performed better than the lecture group on the severe contrast reaction simulation scenario (p = 0.001). The simulation group reported improved comfort in identifying and managing contrast reactions and administering medications after the simulation training (p ≤ 0.04) and was more comfortable than the control group (p = 0.03), which reported no change in comfort level after the repeat didactic lecture. When compared with didactic lecture, high-fidelity simulation-based training of contrast reaction management shows equal results on written test scores but improved performance during a high-fidelity severe contrast reaction simulation scenario.

Application of a local linearization technique for the solution of a system of stiff differential equations associated with the simulation of a magnetic bearing assembly

NASA Technical Reports Server (NTRS)

Kibler, K. S.; Mcdaniel, G. A.

1981-01-01

A digital local linearization technique was used to solve a system of stiff differential equations which simulate a magnetic bearing assembly. The results prove the technique to be accurate, stable, and efficient when compared to a general purpose variable order Adams method with a stiff option.

Structural analysis of sheath folds in the Sylacauga Marble Group, Talladega slate belt, southern Appalachians

USGS Publications Warehouse

Mies, J.W.

1993-01-01

Remnant blocks of marble from the Moretti-Harrah dimension-stone quarry provide excellent exposure of meter-scale sheath folds. Tubular structures with elliptical cross-sections (4 ???Ryz ??? 5) are the most common expression of the folds. The tubes are elongate subparallel to stretching lineation and are defined by centimeter-scale layers of schist. Eccentrically nested elliptical patterns and opposing asymmetry of folds ('S' and 'Z') are consistent with the sheath-fold interpretation. Sheath folds are locally numerous in the Moretti-Harrah quarry but are not widely distributed in the Sylacauga Marble Group; reconnaissance in neighboring quarries provided no additional observations. The presence of sheath folds in part of the Talladega slate belt indicates a local history of plastic, non-coaxial deformation. Such a history of deformation is substantiated by petrographic study of an extracted hinge from the Moretti-Harrah quarry. The sheath folds are modeled as due to passive amplification of initial structures during simple shear, using both analytic geometry and graphic simulation. As indicated by these models, relatively large shear strains (y ??? 9) and longitudinal initial structures are required. The shear strain presumably relates to NW-directed displacement of overlying crystalline rocks during late Paleozoic orogeny. ?? 1993.

Unraveling the formation mechanism of graphitic nitrogen-doping in thermally treated graphene with ammonia

NASA Astrophysics Data System (ADS)

Li, Xiao-Fei; Lian, Ke-Yan; Liu, Lingling; Wu, Yingchao; Qiu, Qi; Jiang, Jun; Deng, Mingsen; Luo, Yi

2016-03-01

Nitrogen-doped graphene (N-graphene) has attractive properties that has been widely studied over the years. However, its possible formation process still remains unclear. Here, we propose a highly feasible formation mechanism of the graphitic-N doing in thermally treated graphene with ammonia by performing ab initio molecular dynamic simulations at experimental conditions. Results show that among the commonly native point defects in graphene, only the single vacancy 5-9 and divacancy 555-777 have the desirable electronic structures to trap N-containing groups and to mediate the subsequent dehydrogenation processes. The local structure of the defective graphene in combining with the thermodynamic and kinetic effect plays a crucial role in dominating the complex atomic rearrangement to form graphitic-N which heals the corresponding defect perfectly. The importance of the symmetry, the localized force field, the interaction of multiple trapped N-containing groups, as well as the catalytic effect of the temporarily formed bridge-N are emphasized, and the predicted doping configuration agrees well with the experimental observation. Hence, the revealed mechanism will be helpful for realizing the targeted synthesis of N-graphene with reduced defects and desired properties.

Decentralized control algorithms of a group of vehicles in 2D space

NASA Astrophysics Data System (ADS)

Pshikhopov, V. K.; Medvedev, M. Y.; Fedorenko, R. V.; Gurenko, B. V.

2017-02-01

The problem of decentralized control of group of robots, described by kinematic and dynamic equations of motion in the plane, is considered. Group performs predetermined rectangular area passing at a fixed speed, keeping the line and a uniform distribution. The environment may contain a priori unknown moving or stationary obstacles. Decentralized control algorithms, based on the formation of repellers in the state space of robots, are proposed. These repellers form repulsive forces generated by dynamic subsystems that extend the state space of robots. These repulsive forces are dynamic functions of distances and velocities of robots in the area of operation of the group. The process of formation of repellers allows to take into account the dynamic properties of robots, such as the maximum speed and acceleration. The robots local control law formulas are derived based on positionally-trajectory control method, which allows to operate with non-linear models. Lyapunov function in the form of a quadratic function of the state variables is constructed to obtain a nonlinear closed-loop control system. Due to the fact that a closed system is decomposed into two independent subsystems Lyapunov function is also constructed as two independent functions. Numerical simulation of the motion of a group of five robots is presented. In this simulation obstacles are presented by the boundaries of working area and a movable object of a given radius, moving rectilinear and uniform. Obstacle speed is comparable to the speeds of the robots in a group. The advantage of the proposed method is ensuring the stability of the trajectories and consideration of the limitations on the speed and acceleration at the trajectory planning stage. Proposed approach can be used for more general robots' models, including robots in the three-dimensional environment.

Capsaicin Interaction with TRPV1 Channels in a Lipid Bilayer: Molecular Dynamics Simulation

PubMed Central

Hanson, Sonya M.; Newstead, Simon; Swartz, Kenton J.; Sansom, Mark S.P.

2015-01-01

Transient receptor potential vanilloid subtype 1 (TRPV1) is a heat-sensitive ion channel also involved in pain sensation, and is the receptor for capsaicin, the active ingredient of hot chili peppers. The recent structures of TRPV1 revealed putative ligand density within the S1 to S4 voltage-sensor-like domain of the protein. However, questions remain regarding the dynamic role of the lipid bilayer in ligand binding to TRPV1. Molecular dynamics simulations were used to explore behavior of capsaicin in a 1-palmitoyl-2-oleoyl phosphatidylcholine bilayer and with the target S1–S4 transmembrane helices of TRPV1. Equilibrium simulations reveal a preferred interfacial localization for capsaicin. We also observed a capsaicin molecule flipping from the extracellular to the intracellular leaflet, and subsequently able to access the intracellular TRPV1 binding site. Calculation of the potential of mean force (i.e., free energy profile) of capsaicin along the bilayer normal confirms that it prefers an interfacial localization. The free energy profile indicates that there is a nontrivial but surmountable barrier to the flipping of capsaicin between opposing leaflets of the bilayer. Molecular dynamics of the S1–S4 transmembrane helices of the TRPV1 in a lipid bilayer confirm that Y511, known to be crucial to capsaicin binding, has a distribution along the bilayer normal similar to that of the aromatic group of capsaicin. Simulations were conducted of the TRPV1 S1–S4 transmembrane helices in the presence of capsaicin placed in the aqueous phase, in the lipid, or docked to the protein. No stable interaction between ligand and protein was seen for simulations initiated with capsaicin in the bilayer. However, interactions were seen between TRPV1 and capsaicin starting from the cytosolic aqueous phase, and capsaicin remained stable in the majority of simulations from the docked pose. We discuss the significance of capsaicin flipping from the extracellular to the intracellular leaflet and mechanisms of binding site access by capsaicin. PMID:25809255

Tube thoracostomy training with a medical simulator is associated with faster, more successful performance of the procedure

PubMed Central

Chung, Tae Nyoung; Kim, Sun Wook; You, Je Sung; Chung, Hyun Soo

2016-01-01

Objective Tube thoracostomy (TT) is a commonly performed intensive care procedure. Simulator training may be a good alternative method for TT training, compared with conventional methods such as apprenticeship and animal skills laboratory. However, there is insufficient evidence supporting use of a simulator. The aim of this study is to determine whether training with medical simulator is associated with faster TT process, compared to conventional training without simulator. Methods This is a simulation study. Eligible participants were emergency medicine residents with very few (≤3 times) TT experience. Participants were randomized to two groups: the conventional training group, and the simulator training group. While the simulator training group used the simulator to train TT, the conventional training group watched the instructor performing TT on a cadaver. After training, all participants performed a TT on a cadaver. The performance quality was measured as correct placement and time delay. Subjects were graded if they had difficulty on process. Results Estimated median procedure time was 228 seconds in the conventional training group and 75 seconds in the simulator training group, with statistical significance (P=0.040). The difficulty grading did not show any significant difference among groups (overall performance scale, 2 vs. 3; P=0.094). Conclusion Tube thoracostomy training with a medical simulator, when compared to no simulator training, is associated with a significantly faster procedure, when performed on a human cadaver. PMID:27752610

Computational Models Predict Larger Muscle Tissue Strains at Faster Sprinting Speeds

PubMed Central

Fiorentino, Niccolo M; Rehorn, Michael R; Chumanov, Elizabeth S; Thelen, Darryl G; Blemker, Silvia S

2014-01-01

Introduction: Proximal biceps femoris musculotendon strain injury has been well established as a common injury among athletes participating in sports that require sprinting near or at maximum speed; however, little is known about the mechanisms that make this muscle tissue more susceptible to injury at faster speeds. Purpose: Quantify localized tissue strain during sprinting at a range of speeds. Methods: Biceps femoris long head (BFlh) musculotendon dimensions of 14 athletes were measured on magnetic resonance (MR) images and used to generate a finite element computational model. The model was first validated through comparison with previous dynamic MR experiments. After validation, muscle activation and muscle-tendon unit length change were derived from forward dynamic simulations of sprinting at 70%, 85% and 100% maximum speed and used as input to the computational model simulations. Simulations ran from mid-swing to foot contact. Results: The model predictions of local muscle tissue strain magnitude compared favorably with in vivo tissue strain measurements determined from dynamic MR experiments of the BFlh. For simulations of sprinting, local fiber strain was non-uniform at all speeds, with the highest muscle tissue strain where injury is often observed (proximal myotendinous junction). At faster sprinting speeds, increases were observed in fiber strain non-uniformity and peak local fiber strain (0.56, 0.67 and 0.72, for sprinting at 70%, 85% and 100% maximum speed). A histogram of local fiber strains showed that more of the BFlh reached larger local fiber strains at faster speeds. Conclusions: At faster sprinting speeds, peak local fiber strain, fiber strain non-uniformity and the amount of muscle undergoing larger strains are predicted to increase, likely contributing to the BFlh muscle’s higher injury susceptibility at faster speeds. PMID:24145724

Large-eddy simulation of wind turbine wake interactions on locally refined Cartesian grids

NASA Astrophysics Data System (ADS)

Angelidis, Dionysios; Sotiropoulos, Fotis

2014-11-01

Performing high-fidelity numerical simulations of turbulent flow in wind farms remains a challenging issue mainly because of the large computational resources required to accurately simulate the turbine wakes and turbine/turbine interactions. The discretization of the governing equations on structured grids for mesoscale calculations may not be the most efficient approach for resolving the large disparity of spatial scales. A 3D Cartesian grid refinement method enabling the efficient coupling of the Actuator Line Model (ALM) with locally refined unstructured Cartesian grids adapted to accurately resolve tip vortices and multi-turbine interactions, is presented. Second order schemes are employed for the discretization of the incompressible Navier-Stokes equations in a hybrid staggered/non-staggered formulation coupled with a fractional step method that ensures the satisfaction of local mass conservation to machine zero. The current approach enables multi-resolution LES of turbulent flow in multi-turbine wind farms. The numerical simulations are in good agreement with experimental measurements and are able to resolve the rich dynamics of turbine wakes on grids containing only a small fraction of the grid nodes that would be required in simulations without local mesh refinement. This material is based upon work supported by the Department of Energy under Award Number DE-EE0005482 and the National Science Foundation under Award number NSF PFI:BIC 1318201.

Fault Gauge Numerical Simulation : Dynamic Rupture Propagation and Local Energy Partitioning

NASA Astrophysics Data System (ADS)

Mollon, G.

2017-12-01

In this communication, we present dynamic simulations of the local (centimetric) behaviour of a fault filled with a granular gauge submitted to dynamic rupture. The numerical tool (Fig. 1) combines classical Discrete Element Modelling (albeit with the ability to deal with arbitrary grain shapes) for the simualtion of the gauge, and continuous modelling for the simulation of the acoustic waves emission and propagation. In a first part, the model is applied to the simulation of steady-state shearing of the fault under remote displacement boudary conditions, in order to observe the shear accomodation at the interface (R1 cracks, localization, wear, etc.). It also makes it possible to fit to desired values the Rate and State Friction properties of the granular gauge by adapting the contact laws between grains. Such simulations provide quantitative insight in the steady-state energy partitionning between fracture, friction and acoustic emissions as a function of the shear rate. In a second part, the model is submitted to dynamic rupture. For that purpose, the fault is elastically preloaded just below rupture, and a displacement pulse is applied at one end of the sample (and on only one side of the fault). This allows to observe the propagation of the instability along the fault and the interplay between this propagation and the local granular phenomena. Energy partitionning is then observed both in space and time.

The effects of computer-simulated experiments on high school biology students' problem-solving skills and achievement

NASA Astrophysics Data System (ADS)

Carmack, Gay Lynn Dickinson

2000-10-01

This two-part quasi-experimental repeated measures study examined whether computer simulated experiments have an effect on the problem solving skills of high school biology students in a school-within-a-school magnet program. Specifically, the study identified episodes in a simulation sequence where problem solving skills improved. In the Fall academic semester, experimental group students (n = 30) were exposed to two simulations: CaseIt! and EVOLVE!. Control group students participated in an internet research project and a paper Hardy-Weinberg activity. In the Spring academic semester, experimental group students were exposed to three simulations: Genetics Construction Kit, CaseIt! and EVOLVE! . Spring control group students participated in a Drosophila lab, an internet research project, and Advanced Placement lab 8. Results indicate that the Fall and Spring experimental groups experienced significant gains in scientific problem solving after the second simulation in the sequence. These gains were independent of the simulation sequence or the amount of time spent on the simulations. These gains were significantly greater than control group scores in the Fall. The Spring control group significantly outscored all other study groups on both pretest measures. Even so, the Spring experimental group problem solving performance caught up to the Spring control group performance after the third simulation. There were no significant differences between control and experimental groups on content achievement. Results indicate that CSE is as effective as traditional laboratories in promoting scientific problem solving and that CSE is a useful tool for improving students' scientific problem solving skills. Moreover, retention of problem solving skills is enhanced by utilizing more than one simulation.

Where are compact groups in the local Universe?

NASA Astrophysics Data System (ADS)

Díaz-Giménez, Eugenia; Zandivarez, Ariel

2015-06-01

Aims: The purpose of this work is to perform a statistical analysis of the location of compact groups in the Universe from observational and semi-analytical points of view. Methods: We used the velocity-filtered compact group sample extracted from the Two Micron All Sky Survey for our analysis. We also used a new sample of galaxy groups identified in the 2M++ galaxy redshift catalogue as tracers of the large-scale structure. We defined a procedure to search in redshift space for compact groups that can be considered embedded in other overdense systems and applied this criterion to several possible combinations of different compact and galaxy group subsamples. We also performed similar analyses for simulated compact and galaxy groups identified in a 2M++ mock galaxy catalogue constructed from the Millennium Run Simulation I plus a semi-analytical model of galaxy formation. Results: We observed that only ~27% of the compact groups can be considered to be embedded in larger overdense systems, that is, most of the compact groups are more likely to be isolated systems. The embedded compact groups show statistically smaller sizes and brighter surface brightnesses than non-embedded systems. No evidence was found that embedded compact groups are more likely to inhabit galaxy groups with a given virial mass or with a particular dynamical state. We found very similar results when the analysis was performed using mock compact and galaxy groups. Based on the semi-analytical studies, we predict that 70% of the embedded compact groups probably are 3D physically dense systems. Finally, real space information allowed us to reveal the bimodal behaviour of the distribution of 3D minimum distances between compact and galaxy groups. Conclusions: The location of compact groups should be carefully taken into account when comparing properties of galaxies in environments that are a priori different. Appendices are available in electronic form at http://www.aanda.orgFull Tables B.1 and B.2 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/578/A61

Computational infrared and two-dimensional infrared photon echo spectroscopy of both wild-type and double mutant myoglobin-CO proteins.

PubMed

Choi, Jun-Ho; Kwak, Kyung-Won; Cho, Minhaeng

2013-12-12

The CO stretching mode of both wild-type and double mutant ( T67R / S92D ) MbCO (carbonmonoxymyoglobin) proteins is an ideal infrared (IR) probe for studying the local electrostatic environment inside the myoglobin heme pocket. Recently, to elucidate the conformational switching dynamics between two distinguishable states, extensive IR absorption, IR pump-probe, and two-dimensional (2D) IR spectroscopic studies for various mutant MbCO's have been performed by the Fayer group. They showed that the 2D IR spectroscopy of the double mutant, which has a peroxidase enzyme activity, reveals a rapid chemical exchange between two distinct states, whereas that of the wild-type does not. Despite the fact that a few simulation studies on these systems were already performed and reported, such complicated experimental results have not been fully reproduced nor described in terms of conformational state-to-state transition processes. Here, we first develop a distributed vibrational solvatochromic charge model for describing the CO stretch frequency shift reflecting local electric potential changes. Then, by carrying out molecular dynamic simulations of the two MbCO's and examining their CO frequency trajectories, it becomes possible to identify a proper reaction coordinate consisting of His64 imidazole ring rotation and its distance to the CO ligand. From the 2D surfaces of the resulting potential of mean forces, the spectroscopically distinguished A1 and A3 states of the wild-type as well as two more substates of the double mutant are identified and their vibrational frequencies and distributions are separately examined. Our simulated IR absorption and 2D IR spectra of the two MbCO's are directly compared with the previous experimental results reported by the Fayer group. The chemical exchange rate constants extracted from the two-state kinetic analyses of the simulated 2D IR spectra are in excellent agreement with the experimental values. On the basis of the quantitative agreement between the simulated spectra and experimental ones, we further examine the conformational differences in the heme pockets of the two proteins and show that the double mutation, T67R / S92D , suppresses the A1 population, restricts the imidazole ring rotation, and increases hydrogen-bond strength between the imidazole Nε-H and the oxygen atom of the CO ligand. It is believed that such delicate change of distal His64 imidazole ring dynamics induced by the double mutation may be responsible for its enhanced peroxidase catalytic activity as compared to the wild-type myoglobin.

Advective transport observations with MODPATH-OBS--documentation of the MODPATH observation process

USGS Publications Warehouse

Hanson, R.T.; Kauffman, L.K.; Hill, M.C.; Dickinson, J.E.; Mehl, S.W.

2013-01-01

The MODPATH-OBS computer program described in this report is designed to calculate simulated equivalents for observations related to advective groundwater transport that can be represented in a quantitative way by using simulated particle-tracking data. The simulated equivalents supported by MODPATH-OBS are (1) distance from a source location at a defined time, or proximity to an observed location; (2) time of travel from an initial location to defined locations, areas, or volumes of the simulated system; (3) concentrations used to simulate groundwater age; and (4) percentages of water derived from contributing source areas. Although particle tracking only simulates the advective component of conservative transport, effects of non-conservative processes such as retardation can be approximated through manipulation of the effective-porosity value used to calculate velocity based on the properties of selected conservative tracers. This program can also account for simple decay or production, but it cannot account for diffusion. Dispersion can be represented through direct simulation of subsurface heterogeneity and the use of many particles. MODPATH-OBS acts as a postprocessor to MODPATH, so that the sequence of model runs generally required is MODFLOW, MODPATH, and MODPATH-OBS. The version of MODFLOW and MODPATH that support the version of MODPATH-OBS presented in this report are MODFLOW-2005 or MODFLOW-LGR, and MODPATH-LGR. MODFLOW-LGR is derived from MODFLOW-2005, MODPATH 5, and MODPATH 6 and supports local grid refinement. MODPATH-LGR is derived from MODPATH 5. It supports the forward and backward tracking of particles through locally refined grids and provides the output needed for MODPATH_OBS. For a single grid and no observations, MODPATH-LGR results are equivalent to MODPATH 5. MODPATH-LGR and MODPATH-OBS simulations can use nearly all of the capabilities of MODFLOW-2005 and MODFLOW-LGR; for example, simulations may be steady-state, transient, or a combination. Though the program name MODPATH-OBS specifically refers to observations, the program also can be used to calculate model prediction of observations. MODPATH-OBS is primarily intended for use with separate programs that conduct sensitivity analysis, data needs assessment, parameter estimation, and uncertainty analysis, such as UCODE_2005, and PEST. In many circumstances, refined grids in selected parts of a model are important to simulated hydraulics, detailed inflows and outflows, or other system characteristics. MODFLOW-LGR and MODPATH-LGR support accurate local grid refinement in which both mass (flows) and energy (head) are conserved across the local grid boundary. MODPATH-OBS is designed to take advantage of these capabilities. For example, particles tracked between a pumping well and a nearby stream, which are simulated poorly if a river and well are located in a single large grid cell, can be simulated with improved accuracy using a locally refined grid in MODFLOW-LGR, MODPATH-LGR, and MODPATH-OBS. The locally-refined-grid approach can provide more accurate simulated equivalents to observed transport between the well and the river. The documentation presented here includes a brief discussion of previous work, description of the methods, and detailed descriptions of the required input files and how the output files are typically used.

Connecting the First Galaxies with Ultrafaint Dwarfs in the Local Group: Chemical Signatures of Population III Stars

NASA Astrophysics Data System (ADS)

Jeon, Myoungwon; Besla, Gurtina; Bromm, Volker

2017-10-01

We investigate the star formation history (SFH) and chemical evolution of isolated analogs of Local Group (LG) ultrafaint dwarf galaxies (UFDs; stellar mass range of {10}2 {M}⊙ < {M}* < {10}5 {M}⊙ ) and gas-rich, low-mass dwarfs (Leo P analogs; stellar mass range of {10}5 {M}⊙ < {M}* < {10}6 {M}⊙ ). We perform a suite of cosmological hydrodynamic zoom-in simulations to follow their evolution from the era of the first generation of stars down to z = 0. We confirm that reionization, combined with supernova (SN) feedback, is primarily responsible for the truncated star formation in UFDs. Specifically, halos with a virial mass of {M}{vir}≲ 2× {10}9 {M}⊙ form ≳ 90 % of stars prior to reionization. Our work further demonstrates the importance of Population III stars, with their intrinsically high [{{C}}/{Fe}] yields and the associated external metal enrichment, in producing low-metallicity stars ([{Fe}/{{H}}]≲ -4) and carbon-enhanced metal-poor (CEMP) stars. We find that UFDs are composite systems, assembled from multiple progenitor halos, some of which hosted only Population II stars formed in environments externally enriched by SNe in neighboring halos, naturally producing extremely low metallicity Population II stars. We illustrate how the simulated chemical enrichment may be used to constrain the SFHs of true observed UFDs. We find that Leo P analogs can form in halos with {M}{vir}˜ 4× {10}9 {M}⊙ (z = 0). Such systems are less affected by reionization and continue to form stars until z = 0, causing higher-metallicity tails. Finally, we predict the existence of extremely low metallicity stars in LG UFD galaxies that preserve the pure chemical signatures of Population III nucleosynthesis.

Imaging of heart acoustic based on the sub-space methods using a microphone array.

PubMed

Moghaddasi, Hanie; Almasganj, Farshad; Zoroufian, Arezoo

2017-07-01

Heart disease is one of the leading causes of death around the world. Phonocardiogram (PCG) is an important bio-signal which represents the acoustic activity of heart, typically without any spatiotemporal information of the involved acoustic sources. The aim of this study is to analyze the PCG by employing a microphone array by which the heart internal sound sources could be localized, too. In this paper, it is intended to propose a modality by which the locations of the active sources in the heart could also be investigated, during a cardiac cycle. In this way, a microphone array with six microphones is employed as the recording set up to be put on the human chest. In the following, the Group Delay MUSIC algorithm which is a sub-space based localization method is used to estimate the location of the heart sources in different phases of the PCG. We achieved to 0.14cm mean error for the sources of first heart sound (S 1 ) simulator and 0.21cm mean error for the sources of second heart sound (S 2 ) simulator with Group Delay MUSIC algorithm. The acoustical diagrams created for human subjects show distinct patterns in various phases of the cardiac cycles such as the first and second heart sounds. Moreover, the evaluated source locations for the heart valves are matched with the ones that are obtained via the 4-dimensional (4D) echocardiography applied, to a real human case. Imaging of heart acoustic map presents a new outlook to indicate the acoustic properties of cardiovascular system and disorders of valves and thereby, in the future, could be used as a new diagnostic tool. Copyright © 2017. Published by Elsevier B.V.

Effects of microphysics parameterization on simulations of summer heavy precipitation in the Yangtze-Huaihe Region, China

NASA Astrophysics Data System (ADS)

Kan, Yu; Chen, Bo; Shen, Tao; Liu, Chaoshun; Qiao, Fengxue

2017-09-01

It has been a longstanding problem for current weather/climate models to accurately predict summer heavy precipitation over the Yangtze-Huaihe Region (YHR) which is the key flood-prone area in China with intensive population and developed economy. Large uncertainty has been identified with model deficiencies in representing precipitation processes such as microphysics and cumulus parameterizations. This study focuses on examining the effects of microphysics parameterization on the simulation of different type of heavy precipitation over the YHR taking into account two different cumulus schemes. All regional persistent heavy precipitation events over the YHR during 2008-2012 are classified into three types according to their weather patterns: the type I associated with stationary front, the type II directly associated with typhoon or with its spiral rain band, and the type III associated with strong convection along the edge of the Subtropical High. Sixteen groups of experiments are conducted for three selected cases with different types and a local short-time rainstorm in Shanghai, using the WRF model with eight microphysics and two cumulus schemes. Results show that microphysics parameterization has large but different impacts on the location and intensity of regional heavy precipitation centers. The Ferrier (microphysics) -BMJ (cumulus) scheme and Thompson (microphysics) - KF (cumulus) scheme most realistically simulates the rain-bands with the center location and intensity for type I and II respectively. For type III, the Lin microphysics scheme shows advantages in regional persistent cases over YHR, while the WSM5 microphysics scheme is better in local short-term case, both with the BMJ cumulus scheme.

Mg2+ in the Major Groove Modulates B-DNA Structure and Dynamics

PubMed Central

Guéroult, Marc; Boittin, Olivier; Mauffret, Oliver; Etchebest, Catherine; Hartmann, Brigitte

2012-01-01

This study investigates the effect of Mg2+ bound to the DNA major groove on DNA structure and dynamics. The analysis of a comprehensive dataset of B-DNA crystallographic structures shows that divalent cations are preferentially located in the DNA major groove where they interact with successive bases of (A/G)pG and the phosphate group of 5′-CpA or TpG. Based on this knowledge, molecular dynamics simulations were carried out on a DNA oligomer without or with Mg2+ close to an ApG step. These simulations showed that the hydrated Mg2+ forms a stable intra-strand cross-link between the two purines in solution. ApG generates an electrostatic potential in the major groove that is particularly attractive for cations; its intrinsic conformation is well-adapted to the formation of water-mediated hydrogen bonds with Mg2+. The binding of Mg2+ modulates the behavior of the 5′-neighboring step by increasing the BII (ε-ζ>0°) population of its phosphate group. Additional electrostatic interactions between the 5′-phosphate group and Mg2+ strengthen both the DNA-cation binding and the BII character of the 5′-step. Cation binding in the major groove may therefore locally influence the DNA conformational landscape, suggesting a possible avenue for better understanding how strong DNA distortions can be stabilized in protein-DNA complexes. PMID:22844516

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

Hoppe, Bradford S.; Stegman, Lauren D.; Zelefsky, Michael J.

Purpose: To perform a retrospective analysis of patients with paranasal sinus (PNS) cancer treated with postoperative radiotherapy (RT) at Memorial Sloan-Kettering Cancer Center. Methods and Materials: Between January 1987 and July 2005, 85 patients with PNS and nasal cavity cancer underwent postoperative RT. Most patients had squamous cell carcinoma (49%; n = 42), T4 tumors (52%; n = 36), and the maxillary sinus (53%; n = 45) as the primary disease site. The median radiation dose was 63 Gy. Of the 85 patients, 76 underwent CT simulation and 53 were treated with either three-dimensional conformal RT (27%; n = 23)more » or intensity-modulated RT (35%; n = 30). Acute and late toxicities were scored according to the Radiation Therapy Oncology Group radiation morbidity scoring criteria. Results: With a median follow-up for surviving patients of 60 months, the 5-year estimates of local progression-free, regional progression-free, distant metastasis-free, disease-free, and overall survival rates were 62%, 87%, 82%, 55%, and 67%, respectively. On multivariate analysis, squamous cell histology and cribriform plate involvement predicted for an increased likelihood of local recurrence, and squamous cell histologic features predicted for worse overall survival. None of the patients who underwent CT simulation and were treated with modern techniques developed a Grade 3-4 late complication of the eye. Conclusion: Complete surgical resection followed by adjuvant RT is an effective and safe approach in the treatment of PNS cancer. Emerging tools, such as three-dimensional conformal treatment and, in particular, intensity-modulated RT for PNS tumors, may minimize the occurrence of late complications associated with conventional RT techniques. Local recurrence remains a significant problem.« less

Local renormalization group functions from quantum renormalization group and holographic bulk locality

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

Nakayama, Yu

Here, the bulk locality in the constructive holographic renormalization group requires miraculous cancellations among various local renormalization group functions. The cancellation is not only from the properties of the spectrum but from more detailed aspects of operator product expansions in relation to conformal anomaly. It is remarkable that one-loop computation of the universal local renormalization group functions in the weakly coupled limit of the N = 4 super Yang-Mills theory fulfils the necessary condition for the cancellation in the strongly coupled limit in its SL(2, Z) duality invariant form. From the consistency between the quantum renormalization group and the holographicmore » renormalization group, we determine some unexplored local renormalization group functions (e.g. diffusive term in the beta function for the gauge coupling constant) in the strongly coupled limit of the planar N = 4 super Yang-Mills theory.« less

Orbits of massive satellite galaxies - II. Bayesian estimates of the Milky Way and Andromeda masses using high-precision astrometry and cosmological simulations

NASA Astrophysics Data System (ADS)

Patel, Ekta; Besla, Gurtina; Mandel, Kaisey

2017-07-01

In the era of high-precision astrometry, space observatories like the Hubble Space Telescope (HST) and Gaia are providing unprecedented 6D phase-space information of satellite galaxies. Such measurements can shed light on the structure and assembly history of the Local Group, but improved statistical methods are needed to use them efficiently. Here we illustrate such a method using analogues of the Local Group's two most massive satellite galaxies, the Large Magellanic Cloud (LMC) and Triangulum (M33), from the Illustris dark-matter-only cosmological simulation. We use a Bayesian inference scheme combining measurements of positions, velocities and specific orbital angular momenta (j) of the LMC/M33 with importance sampling of their simulated analogues to compute posterior estimates of the Milky Way (MW) and Andromeda's (M31) halo masses. We conclude that the resulting host halo mass is more susceptible to bias when using measurements of the current position and velocity of satellites, especially when satellites are at short-lived phases of their orbits (I.e. at pericentre). Instead, the j value of a satellite is well conserved over time and provides a more reliable constraint on host mass. The inferred virial mass of the MW (M31) using j of the LMC (M33) is {{M}}_{vir, MW} = 1.02^{+0.77}_{-0.55} × 10^{12} M⊙ ({{M}}_{vir, M31} = 1.37^{+1.39}_{-0.75} × 10^{12} M⊙). Choosing simulated analogues whose j values are consistent with the conventional picture of a previous (<3 Gyr ago), close encounter (<100 kpc) of M33 about M31 results in a very low virial mass for M31 (˜1012 M⊙). This supports the new scenario put forth in Patel, Besla & Sohn, wherein M33 is on its first passage about M31 or on a long-period orbit. We conclude that this Bayesian inference scheme, utilizing satellite j, is a promising method to reduce the current factor of 2 spread in the mass range of the MW and M31. This method is easily adaptable to include additional satellites as new 6D phase-space information becomes available from HST, Gaia and the James Webb Space Telescope.

Implicit membrane treatment of buried charged groups: application to peptide translocation across lipid bilayers.

PubMed

Lazaridis, Themis; Leveritt, John M; PeBenito, Leo

2014-09-01

The energetic cost of burying charged groups in the hydrophobic core of lipid bilayers has been controversial, with simulations giving higher estimates than certain experiments. Implicit membrane approaches are usually deemed too simplistic for this problem. Here we challenge this view. The free energy of transfer of amino acid side chains from water to the membrane center predicted by IMM1 is reasonably close to all-atom free energy calculations. The shape of the free energy profile, however, for the charged side chains needs to be modified to reflect the all-atom simulation findings (IMM1-LF). Membrane thinning is treated by combining simulations at different membrane widths with an estimate of membrane deformation free energy from elasticity theory. This approach is first tested on the voltage sensor and the isolated S4 helix of potassium channels. The voltage sensor is stably inserted in a transmembrane orientation for both the original and the modified model. The transmembrane orientation of the isolated S4 helix is unstable in the original model, but a stable local minimum in IMM1-LF, slightly higher in energy than the interfacial orientation. Peptide translocation is addressed by mapping the effective energy of the peptide as a function of vertical position and tilt angle, which allows identification of minimum energy pathways and transition states. The barriers computed for the S4 helix and other experimentally studied peptides are low enough for an observable rate. Thus, computational results and experimental studies on the membrane burial of peptide charged groups appear to be consistent. This article is part of a Special Issue entitled: Interfacially Active Peptides and Proteins. Guest Editors: William C. Wimley and Kalina Hristova. Copyright © 2014 Elsevier B.V. All rights reserved.

Simple geometry tribological study of osteochondral graft implantation in the knee.

PubMed

Bowland, Philippa; Ingham, Eileen; Fisher, John; Jennings, Louise M

2018-03-01

Robust preclinical test methods involving tribological simulations are required to investigate and understand the tribological function of osteochondral repair interventions in natural knee tissues. The aim of this study was to investigate the effects of osteochondral allograft implantation on the local tribology (friction, surface damage, wear and deformation) of the tissues in the natural knee joint using a simple geometry, reciprocating pin-on-plate friction simulator. In addition, the study aimed to assess the ability of osteochondral grafts to restore a low surface damage, deformation and wear articulation when compared to the native state. A method was developed to characterise and quantify surface damage wear and deformation of the opposing cartilage-bone pin surface using a non-contacting optical profiler (Alicona Infinite Focus). Porcine 12 mm diameter cartilage-bone pins were reciprocated against bovine cartilage-bone plates that had 6 mm diameter osteochondral allografts, cartilage defects or stainless steel pins (positive controls) inserted centrally. Increased levels of surface damage with changes in geometry were not associated with significant increases in the coefficient of dynamic friction. Significant damage to the opposing cartilage surface was observed in the positive control groups. Cartilage damage, deformation and wear (as measured by change in geometry) in the xenograft (2.4 mm 3 ) and cartilage defect (0.99 mm 3 ) groups were low and not significantly different (p > 0.05) compared to the negative control in either group. The study demonstrated the potential of osteochondral grafts to restore the congruent articular surface and biphasic tribology of the natural joint. An optical method has been developed to characterise cartilage wear, damage and deformation that can be applied to the tribological assessment of osteochondral grafts in a whole natural knee joint simulation model.

Simple geometry tribological study of osteochondral graft implantation in the knee

PubMed Central

Bowland, Philippa; Ingham, Eileen; Fisher, John; Jennings, Louise M

2018-01-01

Robust preclinical test methods involving tribological simulations are required to investigate and understand the tribological function of osteochondral repair interventions in natural knee tissues. The aim of this study was to investigate the effects of osteochondral allograft implantation on the local tribology (friction, surface damage, wear and deformation) of the tissues in the natural knee joint using a simple geometry, reciprocating pin-on-plate friction simulator. In addition, the study aimed to assess the ability of osteochondral grafts to restore a low surface damage, deformation and wear articulation when compared to the native state. A method was developed to characterise and quantify surface damage wear and deformation of the opposing cartilage-bone pin surface using a non-contacting optical profiler (Alicona Infinite Focus). Porcine 12 mm diameter cartilage-bone pins were reciprocated against bovine cartilage-bone plates that had 6 mm diameter osteochondral allografts, cartilage defects or stainless steel pins (positive controls) inserted centrally. Increased levels of surface damage with changes in geometry were not associated with significant increases in the coefficient of dynamic friction. Significant damage to the opposing cartilage surface was observed in the positive control groups. Cartilage damage, deformation and wear (as measured by change in geometry) in the xenograft (2.4 mm3) and cartilage defect (0.99 mm3) groups were low and not significantly different (p > 0.05) compared to the negative control in either group. The study demonstrated the potential of osteochondral grafts to restore the congruent articular surface and biphasic tribology of the natural joint. An optical method has been developed to characterise cartilage wear, damage and deformation that can be applied to the tribological assessment of osteochondral grafts in a whole natural knee joint simulation model. PMID:29375001

Modeling of lithium granule injection in NSTX using M3D-C1

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

Fil, A.; Kolemen, E.; Ferraro, N.

In this paper, we present simulations of pedestal control by lithium granule injection (LGI) in NSTX. A model for small granule ablation has been implemented in the M3D-C1 code (Jardin et al 2012 Comput. Sci. Discovery 5 014002), allowing the simulation of realistic lithium granule injections. 2D and 3D simulations of Li injections in NSTX H-mode plasmas are performed and the effect of granule size, injection angle and velocity on the pedestal gradient increase is studied. The amplitude of the local pressure perturbation caused by the granules is found to be highly dependent on the solid granule size. Adjusting themore » granule injection velocity allows one to inject more particles at the pedestal top. 3D simulations show the destabilization of high order MHD modes whose amplitude is directly linked to the localized pressure perturbation, which is found to depend on the toroidal localization of the granule density source.« less

KSC-04PD-0240

NASA Technical Reports Server (NTRS)

2004-01-01

KENNEDY SPACE CENTER, FLA. A rescue team carries an injured astronaut toward the helicopter for transportation to a local hospital. They are all taking part in a Mode VII emergency landing simulation at Kennedy Space Center. The purpose of the Mode VII is to exercise emergency preparedness personnel, equipment and facilities in rescuing astronauts from a downed orbiter and providing immediate medical attention. This simulation presents an orbiter that has crashed short of the Shuttle Landing Facility in a wooded area 2-1/2 miles south of Runway 33. Emergency crews are responding to the volunteer astronauts who are simulating various injuries inside the crew compartment mock-up. Rescuers must remove the crew, provide triage and transport to hospitals those who need further treatment. Local hospitals are participating in the exercise. Emergency crews are responding to the volunteer astronauts who are simulating various injuries inside the crew compartment mock- up. Rescuers must remove the crew, provide triage and transport to hospitals those who need further treatment. Local hospitals are participating in the exercise.

Modeling of lithium granule injection in NSTX using M3D-C1

DOE PAGES

Fil, A.; Kolemen, E.; Ferraro, N.; ...

2017-04-06

In this paper, we present simulations of pedestal control by lithium granule injection (LGI) in NSTX. A model for small granule ablation has been implemented in the M3D-C1 code (Jardin et al 2012 Comput. Sci. Discovery 5 014002), allowing the simulation of realistic lithium granule injections. 2D and 3D simulations of Li injections in NSTX H-mode plasmas are performed and the effect of granule size, injection angle and velocity on the pedestal gradient increase is studied. The amplitude of the local pressure perturbation caused by the granules is found to be highly dependent on the solid granule size. Adjusting themore » granule injection velocity allows one to inject more particles at the pedestal top. 3D simulations show the destabilization of high order MHD modes whose amplitude is directly linked to the localized pressure perturbation, which is found to depend on the toroidal localization of the granule density source.« less

Numerical modeling of local scour around hydraulic structure in sandy beds by dynamic mesh method

NASA Astrophysics Data System (ADS)

Fan, Fei; Liang, Bingchen; Bai, Yuchuan; Zhu, Zhixia; Zhu, Yanjun

2017-10-01

Local scour, a non-negligible factor in hydraulic engineering, endangers the safety of hydraulic structures. In this work, a numerical model for simulating local scour was constructed, based on the open source code computational fluid dynamics model OpenFOAM. We consider both the bedload and suspended load sediment transport in the scour model and adopt the dynamic mesh method to simulate the evolution of the bed elevation. We use the finite area method to project data between the three-dimensional flow model and the two-dimensional (2D) scour model. We also improved the 2D sand slide method and added it to the scour model to correct the bed bathymetry when the bed slope angle exceeds the angle of repose. Moreover, to validate our scour model, we conducted and compared the results of three experiments with those of the developed model. The validation results show that our developed model can reliably simulate local scour.

Conformational Ensembles of Calmodulin Revealed by Nonperturbing Site-Specific Vibrational Probe Groups.

PubMed

Kelly, Kristen L; Dalton, Shannon R; Wai, Rebecca B; Ramchandani, Kanika; Xu, Rosalind J; Linse, Sara; Londergan, Casey H

2018-03-22

Seven native residues on the regulatory protein calmodulin, including three key methionine residues, were replaced (one by one) by the vibrational probe amino acid cyanylated cysteine, which has a unique CN stretching vibration that reports on its local environment. Almost no perturbation was caused by this probe at any of the seven sites, as reported by CD spectra of calcium-bound and apo calmodulin and binding thermodynamics for the formation of a complex between calmodulin and a canonical target peptide from skeletal muscle myosin light chain kinase measured by isothermal titration. The surprising lack of perturbation suggests that this probe group could be applied directly in many protein-protein binding interfaces. The infrared absorption bands for the probe groups reported many dramatic changes in the probes' local environments as CaM went from apo- to calcium-saturated to target peptide-bound conditions, including large frequency shifts and a variety of line shapes from narrow (interpreted as a rigid and invariant local environment) to symmetric to broad and asymmetric (likely from multiple coexisting and dynamically exchanging structures). The fast intrinsic time scale of infrared spectroscopy means that the line shapes report directly on site-specific details of calmodulin's variable structural distribution. Though quantitative interpretation of the probe line shapes depends on a direct connection between simulated ensembles and experimental data that does not yet exist, formation of such a connection to data such as that reported here would provide a new way to evaluate conformational ensembles from data that directly contains the structural distribution. The calmodulin probe sites developed here will also be useful in evaluating the binding mode of calmodulin with many uncharacterized regulatory targets.

Conformational relaxation and water penetration coupled to ionization of internal groups in proteins.

PubMed

Damjanović, Ana; Brooks, Bernard R; García-Moreno, Bertrand

2011-04-28

Molecular dynamics simulations were used to examine the effects of ionization of internal groups on the structures of eighteen variants of staphylococcal nuclease (SNase) with internal Lys, Asp, or Glu. In most cases the RMSD values of internal ionizable side chains were larger when the ionizable moieties were charged than when they were neutral. Calculations of solvent-accessible surface area showed that the internal ionizable side chains were buried in the protein interior when they were neutral and moved toward crevices and toward the protein-water interface when they were charged. The only exceptions are Lys-36, Lys-62, and Lys-103, which remained buried even after charging. With the exception of Lys-38, the number of internal water molecules surrounding the ionizable group increased upon charging: the average number of water oxygen atoms within the first hydration shell increased by 1.7 for Lys residues, by 5.2 for Asp residues, and by 3.2 for Glu residues. The polarity of the microenvironment of the ionizable group also increased when the groups were charged: the average number of polar atoms of any kind within the first hydration shell increased by 2.7 for Lys residues, by 4.8 for Asp residues, and by 4.0 for Glu residues. An unexpected correlation was observed between the absolute value of the shifts in pK(a) values measured experimentally, and several parameters of structural relaxation: the net difference in the polarity of the microenvironment of the charged and neutral forms of the ionizable groups, the net difference in hydration of the charged and neutral forms of the ionizable groups, and the difference in RMSD values of the charged and neutral forms of the ionizable groups. The effects of ionization of internal groups on the conformation of the backbone were noticeable but mostly small and localized to the area immediately next to the internal ionizable moiety. Some variants did exhibit local unfolding.

Reconstruction of a 10-mm-long median nerve gap in an ischemic environment using autologous conduits with different patterns of blood supply: A comparative study in the rat

PubMed Central

Iria, Inês; Alves, Sara; Farinho, Ana; Pen, Cláudia; Lourenço-Silva, Nuno; Mascarenhas-Lemos, Luís; Silva-Ferreira, José; Ferraz-Oliveira, Mário; Vassilenko, Valentina; Videira, Paula Alexandra; Goyri-O’Neill, João; Pais, Diogo

2018-01-01

The aim of this study was to evaluate in the Wistar rat the efficacy of various autologous nerve conduits with various forms of blood supply in reconstructing a 10-mm-long gap in the median nerve (MN) under conditions of local ischemia. A 10-mm-long median nerve defect was created in the right arm. A loose silicone tube was placed around the nerve gap zone, in order to simulate a local ischemic environment. Rats were divided in the following experimental groups (each with 20 rats): the nerve Graft (NG) group, in which the excised MN segment was reattached; the conventional nerve flap (CNF) and the arterialized neurovenous flap (ANVF) groups in which the gap was bridged with homonymous median nerve flaps; the prefabricated nerve flap (PNF) group in which the gap was reconstructed with a fabricated flap created by leaving an arteriovenous fistula in contact with the sciatic nerve for 5 weeks; and the two control groups, Sham and Excision groups. In the latter group, the proximal stump of the MN nerve was ligated and no repair was performed. The rats were followed for 100 days. During this time, they did physiotherapy. Functional, electroneuromyographic and histological studies were performed. The CNF and ANVF groups presented better results than the NG group in the following assessments: grasping test, nociception, motor stimulation threshold, muscle weight, and histomorphometric evaluation. Radial deviation of the operated forepaw was more common in rats that presented worse results in the other outcome variables. Overall, CNFs and ANVFs produced a faster and more complete recovery than NGs in the reconstruction of a 10-mm-long median nerve gap in an ischemic environment in the Wistar rat. Although, results obtained with CNFs were in most cases were better than ANVFs, these differences were not statistically significant for most of the outcome variables. PMID:29659600

Modeling the long-term evolution of space debris

DOEpatents

Nikolaev, Sergei; De Vries, Willem H.; Henderson, John R.; Horsley, Matthew A.; Jiang, Ming; Levatin, Joanne L.; Olivier, Scot S.; Pertica, Alexander J.; Phillion, Donald W.; Springer, Harry K.

2017-03-07

A space object modeling system that models the evolution of space debris is provided. The modeling system simulates interaction of space objects at simulation times throughout a simulation period. The modeling system includes a propagator that calculates the position of each object at each simulation time based on orbital parameters. The modeling system also includes a collision detector that, for each pair of objects at each simulation time, performs a collision analysis. When the distance between objects satisfies a conjunction criterion, the modeling system calculates a local minimum distance between the pair of objects based on a curve fitting to identify a time of closest approach at the simulation times and calculating the position of the objects at the identified time. When the local minimum distance satisfies a collision criterion, the modeling system models the debris created by the collision of the pair of objects.

A Cloud-Based Simulation Architecture for Pandemic Influenza Simulation

PubMed Central

Eriksson, Henrik; Raciti, Massimiliano; Basile, Maurizio; Cunsolo, Alessandro; Fröberg, Anders; Leifler, Ola; Ekberg, Joakim; Timpka, Toomas

2011-01-01

High-fidelity simulations of pandemic outbreaks are resource consuming. Cluster-based solutions have been suggested for executing such complex computations. We present a cloud-based simulation architecture that utilizes computing resources both locally available and dynamically rented online. The approach uses the Condor framework for job distribution and management of the Amazon Elastic Computing Cloud (EC2) as well as local resources. The architecture has a web-based user interface that allows users to monitor and control simulation execution. In a benchmark test, the best cost-adjusted performance was recorded for the EC2 H-CPU Medium instance, while a field trial showed that the job configuration had significant influence on the execution time and that the network capacity of the master node could become a bottleneck. We conclude that it is possible to develop a scalable simulation environment that uses cloud-based solutions, while providing an easy-to-use graphical user interface. PMID:22195089

A randomized controlled trial of simulation-based training for ear, nose, and throat emergencies.

PubMed

Smith, Matthew Edward; Navaratnam, Annakan; Jablenska, Lily; Dimitriadis, Panagiotis A; Sharma, Rishi

2015-08-01

Life-threatening ear, nose, and throat (ENT) emergencies are uncommon but require immediate skilled management. We investigated if traditional lecture-based teaching can be improved by a simulation and lecture hybrid approach. A single-blinded, prospective, randomized controlled trial. Two groups of interns with no previous ENT experience were randomized to one of two training groups: a simulation/lecture hybrid group or a lecture-only control group. Both groups received 90 minutes of training covering the assessment of critically ill patients and four ENT emergency topics. Both groups received the same initial lecture slides. The control group received additional slides, and the simulation group received simulated emergency scenario training using basic mannequins. Following the training, candidates were asked to provide feedback on their perception of training, and they were formally assessed with a standardized one-to-one viva. Thirty-eight interns were recruited: 18 in the control group and 20 in the simulation group. The candidates in the simulation group performed significantly better in all viva situations (P < .05) and had better perception of learning (P < .05). Additionally, the simulation group was more likely to recommend the training to a colleague (P < .05). We have demonstrated that replacing traditional lecture-based training with a mixture of lectures and emergency scenario simulation is more effective at preparing junior doctors for ENT emergencies, and better met their learning needs. Implementing this kind of teaching is feasible with a minimum of additional resources or time. 1b © 2015 The American Laryngological, Rhinological and Otological Society, Inc.

The effectiveness of training with an emergency department simulator on medical student performance in a simulated disaster.

PubMed

Franc-Law, Jeffrey Michael; Ingrassia, Pier Luigi; Ragazzoni, Luca; Della Corte, Francesco

2010-01-01

Training in practical aspects of disaster medicine is often impossible, and simulation may offer an educational opportunity superior to traditional didactic methods. We sought to determine whether exposure to an electronic simulation tool would improve the ability of medical students to manage a simulated disaster. We stratified 22 students by year of education and randomly assigned 50% from each category to form the intervention group, with the remaining 50% forming the control group. Both groups received the same didactic training sessions. The intervention group received additional disaster medicine training on a patient simulator (disastermed.ca), and the control group spent equal time on the simulator in a nondisaster setting. We compared markers of patient flow during a simulated disaster, including mean differences in time and number of patients to reach triage, bed assignment, patient assessment and disposition. In addition, we compared triage accuracy and scores on a structured command-and-control instrument. We collected data on the students' evaluations of the course for secondary purposes. Participants in the intervention group triaged their patients more quickly than participants in the control group (mean difference 43 s, 99.5% confidence interval [CI] 12 to 75 s). The score of performance indicators on a standardized scale was also significantly higher in the intervention group (18/18) when compared with the control group (8/18) (p < 0.001). All students indicated that they preferred the simulation-based curriculum to a lecture-based curriculum. When asked to rate the exercise overall, both groups gave a median score of 8 on a 10-point modified Likert scale. Participation in an electronic disaster simulation using the disastermed.ca software package appears to increase the speed at which medical students triage simulated patients and increase their score on a structured command-and-control performance indicator instrument. Participants indicated that the simulation-based curriculum in disaster medicine is preferable to a lecture-based curriculum. Overall student satisfaction with the simulation-based curriculum was high.

Probing microscopic material properties inside simulated membranes through spatially resolved three-dimensional local pressure fields and surface tensions

PubMed Central

Kasson, Peter M.; Hess, Berk; Lindahl, Erik

2013-01-01

Cellular lipid membranes are spatially inhomogeneous soft materials. Materials properties such as pressure and surface tension thus show important microscopic-scale variation that is critical to many biological functions. We present a means to calculate pressure and surface tension in a 3D-resolved manner within molecular-dynamics simulations and show how such measurements can yield important insight. We also present the first corrections to local virial and pressure fields to account for the constraints typically used in lipid simulations that otherwise cause problems in highly oriented systems such as bilayers. Based on simulations of an asymmetric bacterial ion channel in a POPC bilayer, we demonstrate how 3D-resolved pressure can probe for both short-range and long-range effects from the protein on the membrane environment. We also show how surface tension is a sensitive metric for inter-leaflet equilibrium and can be used to detect even subtle imbalances between bilayer leaflets in a membrane-protein simulation. Since surface tension is known to modulate the function of many proteins, this effect is an important consideration for predictions of ion channel function. We outline a strategy by which our local pressure measurements, which we make available within a version of the GROMACS simulation package, may be used to design optimally equilibrated membrane-protein simulations. PMID:23318532

Feasibility of scenario-based simulation training versus traditional workshops in continuing medical education: a randomized controlled trial.

PubMed

Kerr, Brendan; Hawkins, Trisha Lee-Ann; Herman, Robert; Barnes, Sue; Kaufmann, Stephanie; Fraser, Kristin; Ma, Irene W Y

2013-07-18

Although simulation-based training is increasingly used for medical education, its benefits in continuing medical education (CME) are less established. This study seeks to evaluate the feasibility of incorporating simulation-based training into a CME conference and compare its effectiveness with the traditional workshop in improving knowledge and self-reported confidence. Participants (N=27) were group randomized to either a simulation-based workshop or a traditional case-based workshop. Post-training, knowledge assessment score neither did increase significantly in the traditional group (d=0.13; p=0.76) nor did significantly decrease in the simulation group (d= - 0.44; p=0.19). Self-reported comfort in patient assessment parameters increased in both groups (p<0.05 in all). However, only the simulation group reported an increase in comfort in patient management (d=1.1, p=0.051 for the traditional group and d=1.3; p= 0.0003 for the simulation group). At 1 month, comfort measures in the traditional group increased consistently over time while these measures in the simulation group increased post-workshop but decreased by 1 month, suggesting that some of the effects of training with simulation may be short lived. The use of simulation-based training was not associated with benefits in knowledge acquisition, knowledge retention, or comfort in patient assessment. It was associated with superior outcomes in comfort in patient management, but this benefit may be short-lived. Further studies are required to better define the conditions under which simulation-based training is beneficial.

Feasibility of scenario-based simulation training versus traditional workshops in continuing medical education: a randomized controlled trial

PubMed Central

Kerr, Brendan; Hawkins, Trisha Lee-Ann; Herman, Robert; Barnes, Sue; Kaufmann, Stephanie; Fraser, Kristin; Ma, Irene W. Y.

2013-01-01

Introduction Although simulation-based training is increasingly used for medical education, its benefits in continuing medical education (CME) are less established. This study seeks to evaluate the feasibility of incorporating simulation-based training into a CME conference and compare its effectiveness with the traditional workshop in improving knowledge and self-reported confidence. Methods Participants (N=27) were group randomized to either a simulation-based workshop or a traditional case-based workshop. Results Post-training, knowledge assessment score neither did increase significantly in the traditional group (d=0.13; p=0.76) nor did significantly decrease in the simulation group (d= − 0.44; p=0.19). Self-reported comfort in patient assessment parameters increased in both groups (p<0.05 in all). However, only the simulation group reported an increase in comfort in patient management (d=1.1, p=0.051 for the traditional group and d=1.3; p= 0.0003 for the simulation group). At 1 month, comfort measures in the traditional group increased consistently over time while these measures in the simulation group increased post-workshop but decreased by 1 month, suggesting that some of the effects of training with simulation may be short lived. Discussion The use of simulation-based training was not associated with benefits in knowledge acquisition, knowledge retention, or comfort in patient assessment. It was associated with superior outcomes in comfort in patient management, but this benefit may be short-lived. Further studies are required to better define the conditions under which simulation-based training is beneficial. PMID:23870304

Feasibility of scenario-based simulation training versus traditional workshops in continuing medical education: a randomized controlled trial.

PubMed

Kerr, Brendan; Lee-Ann Hawkins, Trisha; Herman, Robert; Barnes, Sue; Kaufmann, Stephanie; Fraser, Kristin; Ma, Irene W Y

2013-01-01

Introduction Although simulation-based training is increasingly used for medical education, its benefits in continuing medical education (CME) are less established. This study seeks to evaluate the feasibility of incorporating simulation-based training into a CME conference and compare its effectiveness with the traditional workshop in improving knowledge and self-reported confidence. Methods Participants (N=27) were group randomized to either a simulation-based workshop or a traditional case-based workshop. Results Post-training, knowledge assessment score neither did increase significantly in the traditional group (d=0.13; p=0.76) nor did significantly decrease in the simulation group (d= - 0.44; p=0.19). Self-reported comfort in patient assessment parameters increased in both groups (p<0.05 in all). However, only the simulation group reported an increase in comfort in patient management (d=1.1, p=0.051 for the traditional group and d=1.3; p= 0.0003 for the simulation group). At 1 month, comfort measures in the traditional group increased consistently over time while these measures in the simulation group increased post-workshop but decreased by 1 month, suggesting that some of the effects of training with simulation may be short lived. Discussion The use of simulation-based training was not associated with benefits in knowledge acquisition, knowledge retention, or comfort in patient assessment. It was associated with superior outcomes in comfort in patient management, but this benefit may be short-lived. Further studies are required to better define the conditions under which simulation-based training is beneficial.

Uncertainty in Twenty-First-Century CMIP5 Sea Level Projections

NASA Technical Reports Server (NTRS)

Little, Christopher M.; Horton, Radley M.; Kopp, Robert E.; Oppenheimer, Michael; Yip, Stan

2015-01-01

The representative concentration pathway (RCP) simulations included in phase 5 of the Coupled Model Intercomparison Project (CMIP5) quantify the response of the climate system to different natural and anthropogenic forcing scenarios. These simulations differ because of 1) forcing, 2) the representation of the climate system in atmosphere-ocean general circulation models (AOGCMs), and 3) the presence of unforced (internal) variability. Global and local sea level rise projections derived from these simulations, and the emergence of distinct responses to the four RCPs depend on the relative magnitude of these sources of uncertainty at different lead times. Here, the uncertainty in CMIP5 projections of sea level is partitioned at global and local scales, using a 164-member ensemble of twenty-first-century simulations. Local projections at New York City (NYSL) are highlighted. The partition between model uncertainty, scenario uncertainty, and internal variability in global mean sea level (GMSL) is qualitatively consistent with that of surface air temperature, with model uncertainty dominant for most of the twenty-first century. Locally, model uncertainty is dominant through 2100, with maxima in the North Atlantic and the Arctic Ocean. The model spread is driven largely by 4 of the 16 AOGCMs in the ensemble; these models exhibit outlying behavior in all RCPs and in both GMSL and NYSL. The magnitude of internal variability varies widely by location and across models, leading to differences of several decades in the local emergence of RCPs. The AOGCM spread, and its sensitivity to model exclusion and/or weighting, has important implications for sea level assessments, especially if a local risk management approach is utilized.

Out of the net: An agent-based model to study human movements influence on local-scale malaria transmission.

PubMed

Pizzitutti, Francesco; Pan, William; Feingold, Beth; Zaitchik, Ben; Álvarez, Carlos A; Mena, Carlos F

2018-01-01

Though malaria control initiatives have markedly reduced malaria prevalence in recent decades, global eradication is far from actuality. Recent studies show that environmental and social heterogeneities in low-transmission settings have an increased weight in shaping malaria micro-epidemiology. New integrated and more localized control strategies should be developed and tested. Here we present a set of agent-based models designed to study the influence of local scale human movements on local scale malaria transmission in a typical Amazon environment, where malaria is transmission is low and strongly connected with seasonal riverine flooding. The agent-based simulations show that the overall malaria incidence is essentially not influenced by local scale human movements. In contrast, the locations of malaria high risk spatial hotspots heavily depend on human movements because simulated malaria hotspots are mainly centered on farms, were laborers work during the day. The agent-based models are then used to test the effectiveness of two different malaria control strategies both designed to reduce local scale malaria incidence by targeting hotspots. The first control scenario consists in treat against mosquito bites people that, during the simulation, enter at least once inside hotspots revealed considering the actual sites where human individuals were infected. The second scenario involves the treatment of people entering in hotspots calculated assuming that the infection sites of every infected individual is located in the household where the individual lives. Simulations show that both considered scenarios perform better in controlling malaria than a randomized treatment, although targeting household hotspots shows slightly better performance.

Hamiltonian quantum simulation with bounded-strength controls

NASA Astrophysics Data System (ADS)

Bookatz, Adam D.; Wocjan, Pawel; Viola, Lorenza

2014-04-01

We propose dynamical control schemes for Hamiltonian simulation in many-body quantum systems that avoid instantaneous control operations and rely solely on realistic bounded-strength control Hamiltonians. Each simulation protocol consists of periodic repetitions of a basic control block, constructed as a modification of an ‘Eulerian decoupling cycle,’ that would otherwise implement a trivial (zero) target Hamiltonian. For an open quantum system coupled to an uncontrollable environment, our approach may be employed to engineer an effective evolution that simulates a target Hamiltonian on the system while suppressing unwanted decoherence to the leading order, thereby allowing for dynamically corrected simulation. We present illustrative applications to both closed- and open-system simulation settings, with emphasis on simulation of non-local (two-body) Hamiltonians using only local (one-body) controls. In particular, we provide simulation schemes applicable to Heisenberg-coupled spin chains exposed to general linear decoherence, and show how to simulate Kitaev's honeycomb lattice Hamiltonian starting from Ising-coupled qubits, as potentially relevant to the dynamical generation of a topologically protected quantum memory. Additional implications for quantum information processing are discussed.

Estimation of Local Bone Loads for the Volume of Interest.

PubMed

Kim, Jung Jin; Kim, Youkyung; Jang, In Gwun

2016-07-01

Computational bone remodeling simulations have recently received significant attention with the aid of state-of-the-art high-resolution imaging modalities. They have been performed using localized finite element (FE) models rather than full FE models due to the excessive computational costs of full FE models. However, these localized bone remodeling simulations remain to be investigated in more depth. In particular, applying simplified loading conditions (e.g., uniform and unidirectional loads) to localized FE models have a severe limitation in a reliable subject-specific assessment. In order to effectively determine the physiological local bone loads for the volume of interest (VOI), this paper proposes a novel method of estimating the local loads when the global musculoskeletal loads are given. The proposed method is verified for the three VOI in a proximal femur in terms of force equilibrium, displacement field, and strain energy density (SED) distribution. The effect of the global load deviation on the local load estimation is also investigated by perturbing a hip joint contact force (HCF) in the femoral head. Deviation in force magnitude exhibits the greatest absolute changes in a SED distribution due to its own greatest deviation, whereas angular deviation perpendicular to a HCF provides the greatest relative change. With further in vivo force measurements and high-resolution clinical imaging modalities, the proposed method will contribute to the development of reliable patient-specific localized FE models, which can provide enhanced computational efficiency for iterative computing processes such as bone remodeling simulations.

Ponderosa pine managed-yield simulator: PPSIM users guide.

Treesearch

D.J. DeMars; J.W. Barrett

1987-01-01

PPSIM simulates yields of natural and managed ponderosa pine stands. Management practices and effects that can be simulated include commercial thinning, fertilization, genetic improvement, and presence of dwarf mistletoe. An option is available that adjusts growth to simulate local conditions. Equations used in PPSIM describe growth of natural...

Applied Research on Laparoscopic Simulator in the Resident Surgical Laparoscopic Operation Technical Training.

PubMed

Fu, Shangxi; Liu, Xiao; Zhou, Li; Zhou, Meisheng; Wang, Liming

2017-08-01

The purpose of this study was to estimate the effects of surgical laparoscopic operation course on laparoscopic operation skills after the simulated training for medical students with relatively objective results via data gained before and after the practice course of laparoscopic simulator of the resident standardized trainees. Experiment 1: 20 resident standardized trainees with no experience in laparoscopic surgery were included in the inexperienced group and finished simulated cholecystectomy according to simulator videos. Simulator data was collected (total operation time, path length, average speed of instrument movement, movement efficiency, number of perforations, the time cautery is applied without appropriate contact with adhesions, number of serious complications). Ten attending doctors were included in the experienced group and conducted the operation of simulated cholecystectomy directly. Data was collected with simulator. Data of two groups was compared. Experiment 2: Participants in inexperienced group were assigned to basic group (receiving 8 items of basic operation training) and special group (receiving 8 items of basic operation training and 4 items of specialized training), and 10 persons for each group. They received training course designed by us respectively. After training level had reached the expected target, simulated cholecystectomy was performed, and data was collected. Experimental data between basic group and special group was compared and then data between special group and experienced group was compared. Results of experiment 1 showed that there is significant difference between data in inexperienced group in which participants operated simulated cholecystectomy only according to instructors' teaching and operation video and data in experienced group. Result of experiment 2 suggested that, total operation time, number of perforations, number of serious complications, number of non-cauterized bleeding and the time cautery is applied without appropriate contact with adhesions in special group were all superior to those in basic group. There was no statistical difference on other data between special group and basic group. Comparing special group with experienced group, data of total operation time and the time cautery is applied without appropriate contact with adhesions in experienced group was superior to that in special group. There was no statistical difference on other data between special group and experienced group. Laparoscopic simulators are effective for surgical skills training. Basic courses could mainly improve operator's hand-eye coordination and perception of sense of the insertion depth for instruments. Specialized training courses could not only improve operator's familiarity with surgeries, but also reduce operation time and risk, and improve safety.

Local fluid shifts and edema in humans during simulated microgravity

NASA Technical Reports Server (NTRS)

Hargens, Alan R.

1991-01-01

Local fluid shifts and edema in humans during simulated microgravity is studied. Recent results and significance and future plans on the following research topics are discussed: mechanisms of headward edema formation during head-down tilt; postural responses of head and foot microcirculations and their sensitivity to bed rest; and transcapillary fluid transport associated with lower body negative pressure (LBNP) with and without saline ingestion.

Incorporating field wind data into FIRETEC simulations of the International Crown Fire Modeling Experiment (ICFME): preliminary lessons learned

Treesearch

Rodman Linn; Kerry Anderson; Judith Winterkamp; Alyssa Broos; Michael Wotton; Jean-Luc Dupuy; Francois Pimont; Carleton Edminster

2012-01-01

Field experiments are one way to develop or validate wildland fire-behavior models. It is important to consider the implications of assumptions relating to the locality of measurements with respect to the fire, the temporal frequency of the measured data, and the changes to local winds that might be caused by the experimental configuration. Twenty FIRETEC simulations...

Dual-Polarization Ku-Band Compact Spaceborne Antenna Based on Dual-Reflectarray Optics.

PubMed

Tienda, Carolina; Encinar, Jose A; Barba, Mariano; Arrebola, Manuel

2018-04-05

This article demonstrated an accurate analysis technique for dual-reflectarray antennas that take into account the angle of incidence of the impinging electric field on the main reflectarray cells. The reflected field on the sub and the main reflectarray surfaces is computed using Method of Moments in the spectral domain and assuming local periodicity. The sub-reflectarray is divided into groups of elements and the field radiated by each group is used to compute the incident and reflected field on the main reflectarray cells. A 50-cm demonstrator in Ku-band that provides European coverage has been designed, manufactured and tested to validate the analysis technique. The measured radiation patterns match the simulations and they fulfill the coverage requirements, achieving a cross-polar discrimination better than 25 dB in the frequency range: 12.975-14.25 GHz.

Social networks and spreading of epidemics

NASA Astrophysics Data System (ADS)

Trimper, Steffen; Zheng, Dafang; Brandau, Marian

2004-05-01

Epidemiological processes are studied within a recently proposed social network model using the susceptible-infected-refractory dynamics (SIR) of an epidemic. Within the network model, a population of individuals may be characterized by H independent hierarchies or dimensions, each of which consists of groupings of individuals into layers of subgroups. Detailed numerical simulations reveals that for H > 1, the global spreading results regardless of the degree of homophily α of the individuals forming a social circle. For H = 1, a transition from a global to a local spread occurs as the population becomes decomposed into increasingly homophilous groups. Multiple dimensions in classifying individuals (nodes) thus make a society (computer network) highly susceptible to large scale outbreaks of infectious diseases (viruses). The SIR-model can be extended by the inclusion of waiting times resulting in modified distribution function of the recovered.

Mechanisms of Enhanced Catalysis in Enzyme-DNA Nanostructures Revealed through Molecular Simulations and Experimental Analysis.

PubMed

Gao, Yingning; Roberts, Christopher C; Toop, Aaron; Chang, Chia-En A; Wheeldon, Ian

2016-08-03

Understanding and controlling the molecular interactions between enzyme substrates and DNA nanostructures has important implications in the advancement of enzyme-DNA technologies as solutions in biocatalysis. Such hybrid nanostructures can be used to create enzyme systems with enhanced catalysis by controlling the local chemical and physical environments and the spatial organization of enzymes. Here we have used molecular simulations with corresponding experiments to describe a mechanism of enhanced catalysis due to locally increased substrate concentrations. With a series of DNA nanostructures conjugated to horseradish peroxidase, we show that binding interactions between substrates and the DNA structures can increase local substrate concentrations. Increased local substrate concentrations in HRP(DNA) nanostructures resulted in 2.9- and 2.4-fold decreases in the apparent Michaelis constants of tetramethylbenzidine and 4-aminophenol, substrates of HRP with tunable binding interactions to DNA nanostructures with dissociation constants in the micromolar range. Molecular simulations and kinetic analysis also revealed that increased local substrate concentrations enhanced the rates of substrate association. Identification of the mechanism of increased local concentration of substrates in close proximity to enzymes and their active sites adds to our understanding of nanostructured biocatalysis from which we can develop guidelines for enhancing catalysis in rationally designed systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influences of Local Sea-Surface Temperatures and Large-scale Dynamics on Monthly Precipitation Inferred from Two 10-year GCM-Simulations

NASA Technical Reports Server (NTRS)

Sud, Y. C.; Walker, G. K.; Zhou, Y.; Lau, W. K.-M.

2007-01-01

Two parallel sets of 10-year long: January 1, 1982 to December 31, 1991, simulations were made with the finite volume General Circulation Model (fvGCM) in which the model integrations were forced with prescribed sea-surface temperature fields (SSTs) available as two separate SST-datasets. One dataset contained naturally varying monthly SSTs for the chosen period, and the oth& had the 12-monthly mean SSTs for the same period. Plots of evaporation, precipitation, and atmosphere-column moisture convergence, binned by l C SST intervals show that except for the tropics, the precipitation is more strongly constrained by large-scale dynamics as opposed to local SST. Binning data by SST naturally provided an ensemble average of data contributed from disparate locations with same SST; such averages could be expected to mitigate all location related influences. However, the plots revealed: i) evaporation, vertical velocity, and precipitation are very robust and remarkably similar for each of the two simulations and even for the data from 1987-ENSO-year simulation; ii) while the evaporation increased monotonically with SST up to about 27 C, the precipitation did not; iii) precipitation correlated much better with the column vertical velocity as opposed to SST suggesting that the influence of dynamical circulation including non-local SSTs is stronger than local-SSTs. The precipitation fields were doubly binned with respect to SST and boundary-layer mass and/or moisture convergence. The analysis discerned the rate of change of precipitation with local SST as a sum of partial derivative of precipitation with local SST plus partial derivative of precipitation with boundary layer moisture convergence multiplied by the rate of change of boundary-layer moisture convergence with SST (see Eqn. 3 of Section 4.5). This analysis is mathematically rigorous as well as provides a quantitative measure of the influence of local SST on the local precipitation. The results were recast to examine the dependence of local rainfall on local SSTs; it was discernible only in the tropics. Our methodology can be used for computing relationship between any forcing function and its effect(s) on a chosen field.

Parallelization of sequential Gaussian, indicator and direct simulation algorithms

NASA Astrophysics Data System (ADS)

Nunes, Ruben; Almeida, José A.

2010-08-01

Improving the performance and robustness of algorithms on new high-performance parallel computing architectures is a key issue in efficiently performing 2D and 3D studies with large amount of data. In geostatistics, sequential simulation algorithms are good candidates for parallelization. When compared with other computational applications in geosciences (such as fluid flow simulators), sequential simulation software is not extremely computationally intensive, but parallelization can make it more efficient and creates alternatives for its integration in inverse modelling approaches. This paper describes the implementation and benchmarking of a parallel version of the three classic sequential simulation algorithms: direct sequential simulation (DSS), sequential indicator simulation (SIS) and sequential Gaussian simulation (SGS). For this purpose, the source used was GSLIB, but the entire code was extensively modified to take into account the parallelization approach and was also rewritten in the C programming language. The paper also explains in detail the parallelization strategy and the main modifications. Regarding the integration of secondary information, the DSS algorithm is able to perform simple kriging with local means, kriging with an external drift and collocated cokriging with both local and global correlations. SIS includes a local correction of probabilities. Finally, a brief comparison is presented of simulation results using one, two and four processors. All performance tests were carried out on 2D soil data samples. The source code is completely open source and easy to read. It should be noted that the code is only fully compatible with Microsoft Visual C and should be adapted for other systems/compilers.

Environmental quenching of low-mass field galaxies

NASA Astrophysics Data System (ADS)

Fillingham, Sean P.; Cooper, Michael C.; Boylan-Kolchin, Michael; Bullock, James S.; Garrison-Kimmel, Shea; Wheeler, Coral

2018-07-01

In the local Universe, there is a strong division in the star-forming properties of low-mass galaxies, with star formation largely ubiquitous amongst the field population while satellite systems are predominantly quenched. This dichotomy implies that environmental processes play the dominant role in suppressing star formation within this low-mass regime (M⋆ ˜ 105.5-8 M⊙). As shown by observations of the Local Volume, however, there is a non-negligible population of passive systems in the field, which challenges our understanding of quenching at low masses. By applying the satellite quenching models of Fillingham et al. (2015) to subhalo populations in the Exploring the Local Volume In Simulations suite, we investigate the role of environmental processes in quenching star formation within the nearby field. Using model parameters that reproduce the satellite quenched fraction in the Local Group, we predict a quenched fraction - due solely to environmental effects - of ˜0.52 ± 0.26 within 1 < R/Rvir < 2 of the Milky Way and M31. This is in good agreement with current observations of the Local Volume and suggests that the majority of the passive field systems observed at these distances are quenched via environmental mechanisms. Beyond 2Rvir, however, dwarf galaxy quenching becomes difficult to explain through an interaction with either the Milky Way or M31, such that more isolated, field dwarfs may be self-quenched as a result of star-formation feedback.

Muscle activation described with a differential equation model for large ensembles of locally coupled molecular motors.

PubMed

Walcott, Sam

2014-10-01

Molecular motors, by turning chemical energy into mechanical work, are responsible for active cellular processes. Often groups of these motors work together to perform their biological role. Motors in an ensemble are coupled and exhibit complex emergent behavior. Although large motor ensembles can be modeled with partial differential equations (PDEs) by assuming that molecules function independently of their neighbors, this assumption is violated when motors are coupled locally. It is therefore unclear how to describe the ensemble behavior of the locally coupled motors responsible for biological processes such as calcium-dependent skeletal muscle activation. Here we develop a theory to describe locally coupled motor ensembles and apply the theory to skeletal muscle activation. The central idea is that a muscle filament can be divided into two phases: an active and an inactive phase. Dynamic changes in the relative size of these phases are described by a set of linear ordinary differential equations (ODEs). As the dynamics of the active phase are described by PDEs, muscle activation is governed by a set of coupled ODEs and PDEs, building on previous PDE models. With comparison to Monte Carlo simulations, we demonstrate that the theory captures the behavior of locally coupled ensembles. The theory also plausibly describes and predicts muscle experiments from molecular to whole muscle scales, suggesting that a micro- to macroscale muscle model is within reach.

Environmental Quenching of Low-Mass Field Galaxies

NASA Astrophysics Data System (ADS)

Fillingham, Sean P.; Cooper, Michael C.; Boylan-Kolchin, Michael; Bullock, James S.; Garrison-Kimmel, Shea; Wheeler, Coral

2018-04-01

In the local Universe, there is a strong division in the star-forming properties of low-mass galaxies, with star formation largely ubiquitous amongst the field population while satellite systems are predominantly quenched. This dichotomy implies that environmental processes play the dominant role in suppressing star formation within this low-mass regime (M⋆ ˜ 105.5 - 8 M⊙). As shown by observations of the Local Volume, however, there is a non-negligible population of passive systems in the field, which challenges our understanding of quenching at low masses. By applying the satellite quenching models of Fillingham et al. (2015) to subhalo populations in the Exploring the Local Volume In Simulations (ELVIS) suite, we investigate the role of environmental processes in quenching star formation within the nearby field. Using model parameters that reproduce the satellite quenched fraction in the Local Group, we predict a quenched fraction - due solely to environmental effects - of ˜0.52 ± 0.26 within 1 < R/Rvir < 2 of the Milky Way and M31. This is in good agreement with current observations of the Local Volume and suggests that the majority of the passive field systems observed at these distances are quenched via environmental mechanisms. Beyond 2 Rvir, however, dwarf galaxy quenching becomes difficult to explain through an interaction with either the Milky Way or M31, such that more isolated, field dwarfs may be self-quenched as a result of star-formation feedback.

Electrogastrographic and autonomic responses during oculovestibular recoupling in flight simulation.

PubMed

Cevette, Michael J; Pradhan, Gaurav N; Cocco, Daniela; Crowell, Michael D; Galea, Anna M; Bartlett, Jennifer; Stepanek, Jan

2014-01-01

Simulator sickness causes vestibulo-autonomic responses that increase sympathetic activity and decrease parasympathetic activity. The purpose of the study was to quantify these responses through electrogastrography and cardiac interbeat intervals during flight simulation. There were 29 subjects that were randomly assigned to 2 parallel arms: (1) oculovestibular recoupling, where galvanic vestibular stimulation was synchronous with the visual field; and (2) control. Electrogastrography and interbeat interval data were collected during baseline, simulation, and post-simulation periods. A simulator sickness questionnaire was administered. Statistically significant differences were observed in percentage of recording time with the dominant frequency of electrogastrography in normogastric and bradygastric domains between the oculovestibular recoupling and control groups. Normogastria was dominant during simulation in the oculovestibular recoupling group. In the control group, the percentage of recording time with the dominant frequency decreased by 22% in normogastria and increased by 20% in bradygastria. The percentage change of the dominant power instability coefficient from baseline to simulation was 26% in the oculovestibular recoupling group vs. 108% in the control group. The power of high-frequency components for interbeat intervals did not change significantly in the oculovestibular recoupling group and was decreased during simulation in the control group. Electrogastrography and interbeat intervals are sensitive indices of autonomic changes in subjects undergoing flight simulation. These data demonstrate the potential of oculovestibular recoupling to stabilize gastric activity and cardiac autonomic changes altered during simulator and motion sickness.

Testing MODFLOW-LGR for simulating flow around buried Quaternary valleys - synthetic test cases

NASA Astrophysics Data System (ADS)

Vilhelmsen, T. N.; Christensen, S.

2009-12-01

In this study the Local Grid Refinement (LGR) method developed for MODFLOW-2005 (Mehl and Hill, 2005) is utilized to describe groundwater flow in areas containing buried Quaternary valley structures. The tests are conducted as comparative analysis between simulations run with a globally refined model, a locally refined model, and a globally coarse model, respectively. The models vary from simple one layer models to more complex ones with up to 25 model layers. The comparisons of accuracy are conducted within the locally refined area and focus on water budgets, simulated heads, and simulated particle traces. Simulations made with the globally refined model are used as reference (regarded as “true” values). As expected, for all test cases the application of local grid refinement resulted in more accurate results than when using the globally coarse model. A significant advantage of utilizing MODFLOW-LGR was that it allows increased numbers of model layers to better resolve complex geology within local areas. This resulted in more accurate simulations than when using either a globally coarse model grid or a locally refined model with lower geological resolution. Improved accuracy in the latter case could not be expected beforehand because difference in geological resolution between the coarse parent model and the refined child model contradicts the assumptions of the Darcy weighted interpolation used in MODFLOW-LGR. With respect to model runtimes, it was sometimes found that the runtime for the locally refined model is much longer than for the globally refined model. This was the case even when the closure criteria were relaxed compared to the globally refined model. These results are contradictory to those presented by Mehl and Hill (2005). Furthermore, in the complex cases it took some testing (model runs) to identify the closure criteria and the damping factor that secured convergence, accurate solutions, and reasonable runtimes. For our cases this is judged to be a serious disadvantage of applying MODFLOW-LGR. Another disadvantage in the studied cases was that the MODFLOW-LGR results proved to be somewhat dependent on the correction method used at the parent-child model interface. This indicates that when applying MODFLOW-LGR there is a need for thorough and case-specific considerations regarding choice of correction method. References: Mehl, S. and M. C. Hill (2005). "MODFLOW-2005, THE U.S. GEOLOGICAL SURVEY MODULAR GROUND-WATER MODEL - DOCUMENTATION OF SHARED NODE LOCAL GRID REFINEMENT (LGR) AND THE BOUNDARY FLOW AND HEAD (BFH) PACKAGE " U.S. Geological Survey Techniques and Methods 6-A12

Influence of coupling on atmosphere, sea ice and ocean regional models in the Ross Sea sector, Antarctica

NASA Astrophysics Data System (ADS)

Jourdain, Nicolas C.; Mathiot, Pierre; Gallée, Hubert; Barnier, Bernard

2011-04-01

Air-sea ice-ocean interactions in the Ross Sea sector form dense waters that feed the global thermohaline circulation. In this paper, we develop the new limited-area ocean-sea ice-atmosphere coupled model TANGO to simulate the Ross Sea sector. TANGO is built up by coupling the atmospheric limited-area model MAR to a regional configuration of the ocean-sea ice model NEMO. A method is then developed to identify the mechanisms by which local coupling affects the simulations. TANGO is shown to simulate realistic sea ice properties and atmospheric surface temperatures. These skills are mostly related to the skills of the stand alone atmospheric and oceanic models used to build TANGO. Nonetheless, air temperatures over ocean and winter sea ice thickness are found to be slightly improved in coupled simulations as compared to standard stand alone ones. Local atmosphere ocean feedbacks over the open ocean are found to significantly influence ocean temperature and salinity. In a stand alone ocean configuration, the dry and cold air produces an ocean cooling through sensible and latent heat loss. In a coupled configuration, the atmosphere is in turn moistened and warmed by the ocean; sensible and latent heat loss is therefore reduced as compared to the stand alone simulations. The atmosphere is found to be less sensitive to local feedbacks than the ocean. Effects of local feedbacks are increased in the coastal area because of the presence of sea ice. It is suggested that slow heat conduction within sea ice could amplify the feedbacks. These local feedbacks result in less sea ice production in polynyas in coupled mode, with a subsequent reduction in deep water formation.

Comparison Between 2D and 3D Simulations of Rate Dependent Friction Using DEM

NASA Astrophysics Data System (ADS)

Wang, C.; Elsworth, D.

2017-12-01

Rate-state dependent constitutive laws of frictional evolution have been successful in representing many of the first- and second- order components of earthquake rupture. Although this constitutive law has been successfully applied in numerical models, difficulty remains in efficient implementation of this constitutive law in computationally-expensive granular mechanics simulations using discrete element methods (DEM). This study introduces a novel approach in implementing a rate-dependent constitutive relation of contact friction into DEM. This is essentially an implementation of a slip-weakening constitutive law onto local particle contacts without sacrificing computational efficiency. This implementation allows the analysis of slip stability of simulated fault gouge materials. Velocity-stepping experiments are reported on both uniform and textured distributions of quartz and talc as 3D analogs of gouge mixtures. Distinct local slip stability parameters (a-b) are assigned to the quartz and talc, respectively. We separately vary talc content from 0 to 100% in the uniform mixtures and talc layer thickness from 1 to 20 particles in the textured mixtures. Applied shear displacements are cycled through velocities of 1μm/s and 10μm/s. Frictional evolution data are collected and compared to 2D simulation results. We show that dimensionality significantly impacts the evolution of friction. 3D simulation results are more representative of laboratory observed behavior and numerical noise is shown at a magnitude of 0.01 in terms of friction coefficient. Stability parameters (a-b) can be straightforwardly obtained from analyzing velocity steps, and are different from locally assigned (a-b) values. Sensitivity studies on normal stress, shear velocity, particle size, local (a-b) values, and characteristic slip distance (Dc) show that the implementation is sensitive to local (a-b) values and relations between (Dc) and particle size.

Stainless steel wear debris of a scoliotic growth guidance system has little local and systemic effect in an animal model.

PubMed

Singh, Vaneet; Rawlinson, Jeremy; Hallab, Nadim

2018-01-11

Options to treat early-onset scoliosis include guided-growth systems with sliding action between rods and pedicle screws. The wear was previously measured in an in vitro test, and in this in vivo rabbit model, we evaluated the local and systemic biological response to the stainless steel debris. Compared to the previous study, a relatively higher volume of representative wear particles with a median particle size of 0.84 μm were generated. Bolus dosages were injected into the epidural space at L4-L5 for a minimum of 36 rabbits across three treatment groups (negative control, 1.5 mg, and 4.0 mg) and two timepoints (12 and 24 weeks). Gross pathology evaluated distant organs and the injection site with a dorsal laminectomy to examine the epidural space and dosing site. Peri-implanted particle tissues were stained for immunohistochemical and quantitatively analyzed for IL-6 and TNF-α cytokines. Based on ISO 10993-6:2007 scoring, particles in the high-dose group were primarily non-irritant (12 weeks) with one slightly irritant. At 24 weeks, inflammatory cell infiltration was non-existent to minimal with all groups considered non-irritant at the injection site. Material characterization confirmed that particles detected in distant organs were stainless steel or contaminants. At 12 weeks, stainless steel groups demonstrated statistically increased amounts of cytokine levels compared to control but there was a statistical decrease for both at 24 weeks. These findings indicate that stainless steel wear debris, comparable to the expected usage from a simulated growth guidance system, had no discernible untoward biological effects locally and systemically in an animal model. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Monte Carlo simulation to analyze the cost-benefit of radioactive seed localization versus wire localization for breast-conserving surgery in fee-for-service health care systems compared with accountable care organizations.

PubMed

Loving, Vilert A; Edwards, David B; Roche, Kevin T; Steele, Joseph R; Sapareto, Stephen A; Byrum, Stephanie C; Schomer, Donald F

2014-06-01

In breast-conserving surgery for nonpalpable breast cancers, surgical reexcision rates are lower with radioactive seed localization (RSL) than wire localization. We evaluated the cost-benefit of switching from wire localization to RSL in two competing payment systems: a fee-for-service (FFS) system and a bundled payment system, which is typical for accountable care organizations. A Monte Carlo simulation was developed to compare the cost-benefit of RSL and wire localization. Equipment utilization, procedural workflows, and regulatory overhead differentiate the cost between RSL and wire localization. To define a distribution of possible cost scenarios, the simulation randomly varied cost drivers within fixed ranges determined by hospital data, published literature, and expert input. Each scenario was replicated 1000 times using the pseudorandom number generator within Microsoft Excel, and results were analyzed for convergence. In a bundled payment system, RSL reduced total health care cost per patient relative to wire localization by an average of $115, translating into increased facility margin. In an FFS system, RSL reduced total health care cost per patient relative to wire localization by an average of $595 but resulted in decreased facility margin because of fewer surgeries. In a bundled payment system, RSL results in a modest reduction of cost per patient over wire localization and slightly increased margin. A fee-for-service system suffers moderate loss of revenue per patient with RSL, largely due to lower reexcision rates. The fee-for-service system creates a significant financial disincentive for providers to use RSL, although it improves clinical outcomes and reduces total health care costs.

Immersive virtual reality-based training improves response in a simulated operating room fire scenario.

PubMed

Sankaranarayanan, Ganesh; Wooley, Lizzy; Hogg, Deborah; Dorozhkin, Denis; Olasky, Jaisa; Chauhan, Sanket; Fleshman, James W; De, Suvranu; Scott, Daniel; Jones, Daniel B

2018-01-25

SAGES FUSE curriculum provides didactic knowledge on OR fire prevention. The objective of this study is to evaluate the impact of an immersive virtual reality (VR)-based OR fire training simulation system in combination with FUSE didactics. The study compared a control with a simulation group. After a pre-test questionnaire that assessed the baseline knowledge, both groups were given didactic material that consists of a 10-min presentation and reading materials about precautions and stopping an OR fire from the FUSE manual. The simulation group practiced on the OR fire simulation for one session that consisted of five trials within a week from the pre-test. One week later, both groups were reassessed using a questionnaire. A week after the post-test both groups also participated in a simulated OR fire scenario while their performance was videotaped for assessment. A total of 20 subjects (ten per group) participated in this IRB approved study. Median test scores for the control group increased from 5.5 to 9.00 (p = 0.011) and for the simulation group it increased from 5.0 to 8.5 (p = 0.005). Both groups started at the same baseline (pre-test, p = 0.529) and reached similar level in cognitive knowledge (post-test, p = 0.853). However, when tested in the mock OR fire scenario, 70% of the simulation group subjects were able to perform the correct sequence of steps in extinguishing the simulated fire whereas only 20% subjects in the control group were able to do so (p = 0.003). The simulation group was better than control group in correctly identifying the oxidizer (p = 0.03) and ignition source (p = 0.014). Interactive VR-based hands-on training was found to be a relatively inexpensive and effective mode for teaching OR fire prevention and management scenarios.

[Induction chemotherapy with docetaxel plus cisplatin (TP regimen) followed by concurrent chemoradiotherapy with TP regimen versus cisplatin in treating locally advanced nasopharyngeal carcinoma].

PubMed

Xie, Fang-Yun; Zou, Guo-Rong; Hu, Wei-Han; Qi, Shu-Nan; Peng, Miao; Li, Ji-Shi

2009-03-01

Clinical trials on docetaxel plus cisplatin (DDP) (TP regimen) in treating nasopharyngeal carcinoma (NPC) are still uncertain due to limited samples. This study was to compare the short-term efficacy and toxicity of induction chemotherapy with TP regimen followed by concurrent chemoradiotherapy with TP regimen versus DDP in treating locally advanced NPC. Fifty-seven patients with stage T3-4N2-3M0 NPC diagnosed pathologically from December 2005 to December 2006 were randomized into TP group (30 patients) and DDP group (27 patients). Both groups received TP regimen as induction chemotherapy with docetaxel (70 mg/m(2)) on Day 1 and DDP (80 mg/m(2)) on Day 2, repeating every 21 days for 2 cycles. For concurrent chemotherapy, TP group were administered docetaxel (60 mg/m(2)) on Day 1 and DDP (80 mg/m(2)) on Day 2; DDP group were administered DDP (80 mg/m(2)) on Day 1. Both schedules were repeated every 21 days for 2 cycles. Linear accelerator was used as radioactive source. Irradiation field was designed with CT-simulation and conventional fractions. The 57 patients received 111 cycles of induction chemotherapy, and 53 of them received 103 cycles of concurrent chemotherapy; four patients ceased induction chemotherapy and three ceased concurrent chemotherapy. All patients completed radiotherapy. The major toxicity of induction chemotherapy was hematologic toxicity; the main toxicities of concurrent chemoradiotherapy were hematologic toxicity and mucositis. The occurrence rates of Grade 3-4 leucopenia and Grade 3-4 neutropenia were significantly higher in TP group than in DDP groups (p <0.05). In concurrent chemoradiotherapy, the application rate of granulocyte colony stimulating factor (G-CSF) was significantly higher in TP group than in DDP group (100% vs. 72.0%, p<0.05). After concurrent chemoradiotherapy, the complete remission (CR) rates of the nasopharynx and regional lymph nodes were 93.3% and 92.9% in TP group, and were 96.3% and 91.3% in DDP group (p>0.05). The short-term efficacy of induction chemotherapy with TP regimen followed by concurrent chemoradiotherapy with TP regimen on locally advanced NPC is similar to that of TP regimen followed by concurrent chemoradiotherapy with DDP. The toxicity of the former schedule is severer than that of the latter, but it is tolerable with the use of G-CSF. The long-term efficacy of induction chemotherapy with TP regimen followed by concurrent chemoradiotherapy with TP regimen need to be further studied.

Effect of dyad training on medical students' cardiopulmonary resuscitation performance.

PubMed

Wang, Candice; Huang, Chin-Chou; Lin, Shing-Jong; Chen, Jaw-Wen

2017-03-01

We investigated the effects of dyadic training on medical students' resuscitation performance during cardiopulmonary resuscitation (CPR) training.We provided students with a 2-hour training session on CPR for simulated cardiac arrest. Student teams were split into double groups (Dyad training groups: Groups A and B) or Single Groups. All groups received 2 CPR simulation rounds. CPR simulation training began with peer demonstration for Group A, and peer observation for Group B. Then the 2 groups switched roles. Single Groups completed CPR simulation without peer observation or demonstration. Teams were then evaluated based on leadership, teamwork, and team member skills.Group B had the highest first simulation round scores overall (P = 0.004) and in teamwork (P = 0.001) and team member skills (P = 0.031). Group B also had the highest second simulation round scores overall (P < 0.001) and in leadership (P = 0.033), teamwork (P < 0.001), and team member skills (P < 0.001). In the first simulation, there were no differences between Dyad training groups with those of Single Groups in overall scores, leadership scores, teamwork scores, and team member scores. In the second simulation, Dyad training groups scored higher in overall scores (P = 0.002), leadership scores (P = 0.044), teamwork scores (P = 0.005), and team member scores (P = 0.008). Dyad training groups also displayed higher improvement in overall scores (P = 0.010) and team member scores (P = 0.022).Dyad training was effective for CPR training. Both peer observation and demonstration for peers in dyad training can improve student resuscitation performance.

Effect of dyad training on medical students’ cardiopulmonary resuscitation performance

PubMed Central

Wang, Candice; Huang, Chin-Chou; Lin, Shing-Jong; Chen, Jaw-Wen

2017-01-01

Abstract We investigated the effects of dyadic training on medical students’ resuscitation performance during cardiopulmonary resuscitation (CPR) training. We provided students with a 2-hour training session on CPR for simulated cardiac arrest. Student teams were split into double groups (Dyad training groups: Groups A and B) or Single Groups. All groups received 2 CPR simulation rounds. CPR simulation training began with peer demonstration for Group A, and peer observation for Group B. Then the 2 groups switched roles. Single Groups completed CPR simulation without peer observation or demonstration. Teams were then evaluated based on leadership, teamwork, and team member skills. Group B had the highest first simulation round scores overall (P = 0.004) and in teamwork (P = 0.001) and team member skills (P = 0.031). Group B also had the highest second simulation round scores overall (P < 0.001) and in leadership (P = 0.033), teamwork (P < 0.001), and team member skills (P < 0.001). In the first simulation, there were no differences between Dyad training groups with those of Single Groups in overall scores, leadership scores, teamwork scores, and team member scores. In the second simulation, Dyad training groups scored higher in overall scores (P = 0.002), leadership scores (P = 0.044), teamwork scores (P = 0.005), and team member scores (P = 0.008). Dyad training groups also displayed higher improvement in overall scores (P = 0.010) and team member scores (P = 0.022). Dyad training was effective for CPR training. Both peer observation and demonstration for peers in dyad training can improve student resuscitation performance. PMID:28353555

Gryphon: A Hybrid Agent-Based Modeling and Simulation Platform for Infectious Diseases

NASA Astrophysics Data System (ADS)

Yu, Bin; Wang, Jijun; McGowan, Michael; Vaidyanathan, Ganesh; Younger, Kristofer

In this paper we present Gryphon, a hybrid agent-based stochastic modeling and simulation platform developed for characterizing the geographic spread of infectious diseases and the effects of interventions. We study both local and non-local transmission dynamics of stochastic simulations based on the published parameters and data for SARS. The results suggest that the expected numbers of infections and the timeline of control strategies predicted by our stochastic model are in reasonably good agreement with previous studies. These preliminary results indicate that Gryphon is able to characterize other future infectious diseases and identify endangered regions in advance.

A Study into the Impact of Physical Structures on the Runway Velocity Field at the Atlantic City International Airport

NASA Astrophysics Data System (ADS)

King, David, Jr.; Manson, Russell; Trout, Joseph; Decicco, Nicholas; Rios, Manny

2015-04-01

Wake vortices are generated by airplanes in flight. These vortices decay slowly and may persist for several minutes after their creation. These vortices and associated smaller scale turbulent structures present a hazard to incoming flights. It is for this reason that incoming flights are timed to arrive after these vortices have dissipated. Local weather conditions, mainly prevailing winds, can affect the transport and evolution of these vortices; therefore, there is a need to fully understand localized wind patterns at the airport-sized mircoscale. Here we have undertaken a computational investigation into the impacts of localized wind flows and physical structures on the velocity field at Atlantic City International Airport. The simulations are undertaken in OpenFOAM, an open source computational fluid dynamics software package, using an optimized geometric mesh of the airport. Initial conditions for the simulations are based on historical data with the option to run simulations based on projected weather conditions imported from the Weather Research & Forcasting (WRF) Model. Sub-grid scale turbulence is modeled using a Large Eddy Simulation (LES) approach. The initial results gathered from the WRF Model simulations and historical weather data analysis are presented elsewhere.

MODFLOW-2005, The U.S. Geological Survey Modular Ground-Water Model - Documentation of the Multiple-Refined-Areas Capability of Local Grid Refinement (LGR) and the Boundary Flow and Head (BFH) Package

USGS Publications Warehouse

Mehl, Steffen W.; Hill, Mary C.

2007-01-01

This report documents the addition of the multiple-refined-areas capability to shared node Local Grid Refinement (LGR) and Boundary Flow and Head (BFH) Package of MODFLOW-2005, the U.S. Geological Survey modular, three-dimensional, finite-difference ground-water flow model. LGR now provides the capability to simulate ground-water flow by using one or more block-shaped, higher resolution local grids (child model) within a coarser grid (parent model). LGR accomplishes this by iteratively coupling separate MODFLOW-2005 models such that heads and fluxes are balanced across the shared interfacing boundaries. The ability to have multiple, nonoverlapping areas of refinement is important in situations where there is more than one area of concern within a regional model. In this circumstance, LGR can be used to simulate these distinct areas with higher resolution grids. LGR can be used in two-and three-dimensional, steady-state and transient simulations and for simulations of confined and unconfined ground-water systems. The BFH Package can be used to simulate these situations by using either the parent or child models independently.

Local deformation for soft tissue simulation

PubMed Central

Omar, Nadzeri; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

2016-01-01

ABSTRACT This paper presents a new methodology to localize the deformation range to improve the computational efficiency for soft tissue simulation. This methodology identifies the local deformation range from the stress distribution in soft tissues due to an external force. A stress estimation method is used based on elastic theory to estimate the stress in soft tissues according to a depth from the contact surface. The proposed methodology can be used with both mass-spring and finite element modeling approaches for soft tissue deformation. Experimental results show that the proposed methodology can improve the computational efficiency while maintaining the modeling realism. PMID:27286482

Implementation of local grid refinement (LGR) for the Lake Michigan Basin regional groundwater-flow model

USGS Publications Warehouse

Hoard, C.J.

2010-01-01

The U.S. Geological Survey is evaluating water availability and use within the Great Lakes Basin. This is a pilot effort to develop new techniques and methods to aid in the assessment of water availability. As part of the pilot program, a regional groundwater-flow model for the Lake Michigan Basin was developed using SEAWAT-2000. The regional model was used as a framework for assessing local-scale water availability through grid-refinement techniques. Two grid-refinement techniques, telescopic mesh refinement and local grid refinement, were used to illustrate the capability of the regional model to evaluate local-scale problems. An intermediate model was developed in central Michigan spanning an area of 454 square miles (mi2) using telescopic mesh refinement. Within the intermediate model, a smaller local model covering an area of 21.7 mi2 was developed and simulated using local grid refinement. Recharge was distributed in space and time using a daily output from a modified Thornthwaite-Mather soil-water-balance method. The soil-water-balance method derived recharge estimates from temperature and precipitation data output from an atmosphere-ocean coupled general-circulation model. The particular atmosphere-ocean coupled general-circulation model used, simulated climate change caused by high global greenhouse-gas emissions to the atmosphere. The surface-water network simulated in the regional model was refined and simulated using a streamflow-routing package for MODFLOW. The refined models were used to demonstrate streamflow depletion and potential climate change using five scenarios. The streamflow-depletion scenarios include (1) natural conditions (no pumping), (2) a pumping well near a stream; the well is screened in surficial glacial deposits, (3) a pumping well near a stream; the well is screened in deeper glacial deposits, and (4) a pumping well near a stream; the well is open to a deep bedrock aquifer. Results indicated that a range of 59 to 50 percent of the water pumped originated from the stream for the shallow glacial and deep bedrock pumping scenarios, respectively. The difference in streamflow reduction between the shallow and deep pumping scenarios was compensated for in the deep well by deriving more water from regional sources. The climate-change scenario only simulated natural conditions from 1991-2044, so there was no pumping stress simulated. Streamflows were calculated for the simulated period and indicated that recharge over the period generally increased from the start of the simulation until approximately 2017, and decreased from then to the end of the simulation. Streamflow was highly correlated with recharge so that the lowest streamflows occurred in the later stress periods of the model when recharge was lowest.

MODFLOW-LGR-Modifications to the streamflow-routing package (SFR2) to route streamflow through locally refined grids

USGS Publications Warehouse

Mehl, Steffen W.; Hill, Mary C.

2011-01-01

This report documents modifications to the Streamflow-Routing Package (SFR2) to route streamflow through grids constructed using the multiple-refined-areas capability of shared node Local Grid Refinement (LGR) of MODFLOW-2005. MODFLOW-2005 is the U.S. Geological Survey modular, three-dimensional, finite-difference groundwater-flow model. LGR provides the capability to simulate groundwater flow by using one or more block-shaped, higher resolution local grids (child model) within a coarser grid (parent model). LGR accomplishes this by iteratively coupling separate MODFLOW-2005 models such that heads and fluxes are balanced across the shared interfacing boundaries. Compatibility with SFR2 allows for streamflow routing across grids. LGR can be used in two- and three-dimensional, steady-state and transient simulations and for simulations of confined and unconfined groundwater systems.

Influence of equilibrium shear flow in the parallel magnetic direction on edge localized mode crash

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

Luo, Y.; Xiong, Y. Y.; Chen, S. Y., E-mail: sychen531@163.com

2016-04-15

The influence of the parallel shear flow on the evolution of peeling-ballooning (P-B) modes is studied with the BOUT++ four-field code in this paper. The parallel shear flow has different effects in linear simulation and nonlinear simulation. In the linear simulations, the growth rate of edge localized mode (ELM) can be increased by Kelvin-Helmholtz term, which can be caused by the parallel shear flow. In the nonlinear simulations, the results accord with the linear simulations in the linear phase. However, the ELM size is reduced by the parallel shear flow in the beginning of the turbulence phase, which is recognizedmore » as the P-B filaments' structure. Then during the turbulence phase, the ELM size is decreased by the shear flow.« less

Local Environmental Groups: A Systematic Enumeration in Two Geographical Areas.

ERIC Educational Resources Information Center

Kempton, Willett; Holland, Dorothy C.; Bunting-Howarth, Katherine; Hannan, Erin; Payne, Christopher

2001-01-01

A systematic, labor-intensive inventory of all local environmental groups in the Delmarva Peninsula and the state of North Carolina found 566 local groups, 7-20 times the number in published directories. Unexpectedly, high school student groups made up about 30 percent of the total. Groups' diverse objectives, primary activities, and alliances are…

Local polynomial estimation of heteroscedasticity in a multivariate linear regression model and its applications in economics.

PubMed

Su, Liyun; Zhao, Yanyong; Yan, Tianshun; Li, Fenglan

2012-01-01

Multivariate local polynomial fitting is applied to the multivariate linear heteroscedastic regression model. Firstly, the local polynomial fitting is applied to estimate heteroscedastic function, then the coefficients of regression model are obtained by using generalized least squares method. One noteworthy feature of our approach is that we avoid the testing for heteroscedasticity by improving the traditional two-stage method. Due to non-parametric technique of local polynomial estimation, it is unnecessary to know the form of heteroscedastic function. Therefore, we can improve the estimation precision, when the heteroscedastic function is unknown. Furthermore, we verify that the regression coefficients is asymptotic normal based on numerical simulations and normal Q-Q plots of residuals. Finally, the simulation results and the local polynomial estimation of real data indicate that our approach is surely effective in finite-sample situations.

a Weighted Local-World Evolving Network Model Based on the Edge Weights Preferential Selection

NASA Astrophysics Data System (ADS)

Li, Ping; Zhao, Qingzhen; Wang, Haitang

2013-05-01

In this paper, we use the edge weights preferential attachment mechanism to build a new local-world evolutionary model for weighted networks. It is different from previous papers that the local-world of our model consists of edges instead of nodes. Each time step, we connect a new node to two existing nodes in the local-world through the edge weights preferential selection. Theoretical analysis and numerical simulations show that the scale of the local-world affect on the weight distribution, the strength distribution and the degree distribution. We give the simulations about the clustering coefficient and the dynamics of infectious diseases spreading. The weight dynamics of our network model can portray the structure of realistic networks such as neural network of the nematode C. elegans and Online Social Network.

Effectiveness of policy to provide breastfeeding groups (BIG) for pregnant and breastfeeding mothers in primary care: cluster randomised controlled trial.

PubMed

Hoddinott, Pat; Britten, Jane; Prescott, Gordon J; Tappin, David; Ludbrook, Anne; Godden, David J

2009-01-30

To assess the clinical effectiveness and cost effectiveness of a policy to provide breastfeeding groups for pregnant and breastfeeding women. Cluster randomised controlled trial with prospective mixed method embedded case studies to evaluate implementation processes. Primary care in Scotland. Pregnant women, breastfeeding mothers, and babies registered with 14 of 66 eligible clusters of general practices (localities) in Scotland that routinely collect breastfeeding outcome data. Localities set up new breastfeeding groups to provide population coverage; control localities did not change group activity. any breast feeding at 6-8 weeks from routinely collected data for two pre-trial years and two trial years. any breast feeding at birth, 5-7 days, and 8-9 months; maternal satisfaction. Between 1 February 2005 and 31 January 2007, 9747 birth records existed for intervention localities and 9111 for control localities. The number of breastfeeding groups increased from 10 to 27 in intervention localities, where 1310 women attended, and remained at 10 groups in control localities. No significant differences in breastfeeding outcomes were found. Any breast feeding at 6-8 weeks declined from 27% to 26% in intervention localities and increased from 29% to 30% in control localities (P=0.08, adjusted for pre-trial rate). Any breast feeding at 6-8 weeks increased from 38% to 39% in localities not participating in the trial. Women who attended breastfeeding groups were older (P<0.001) than women initiating breast feeding who did not attend and had higher income (P=0.02) than women in the control localities who attended postnatal groups. The locality cost was pound13 400 (euro14 410; $20 144) a year. A policy for providing breastfeeding groups in relatively deprived areas of Scotland did not improve breastfeeding rates at 6-8 weeks. The costs of running groups would be similar to the costs of visiting women at home. Current Controlled Trials ISRCTN44857041.

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-11-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW (Modular Three-dimensional Finite-difference Groundwater Flow Model) simulation environment, and the PEST (parameter estimation) tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop lognormally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

Effectiveness of stress management in patients undergoing transrectal ultrasound-guided biopsy of the prostate.

PubMed

Chiu, Li-Pin; Tung, Heng-Hsin; Lin, Kuan-Chia; Lai, Yu-Wei; Chiu, Yi-Chun; Chen, Saint Shiou-Sheng; Chiu, Allen W

2016-01-01

To assess the utilization of stress management in relieving anxiety and pain among patients who undergo transrectal ultrasound (TRUS)-guided biopsy of the prostate. Eighty-two patients admitted to a community hospital for a TRUS biopsy of the prostate participated in this case-controlled study. They were divided into an experimental group that was provided with stress management and a control group that received only routine nursing care. Stress management included music therapy and one-on-one simulation education. Before and after the TRUS biopsy, the patients' state-anxiety inventory score, pain visual analogue scale (VAS), respiratory rate, heart rate, and blood pressure were obtained. There were no differences in baseline and disease characteristics between the two groups. The VAS in both groups increased after the TRUS biopsy, but the difference in pre- and postbiopsy VAS scores was significantly lower in the experimental group (P=0.03). Patients in both groups experienced mild anxiety before and after the biopsy, but those in the experimental group displayed a significantly greater decrease in postbiopsy state-anxiety inventory score compared to the control group (P=0.02). Stress management can alleviate anxiety and pain in patients who received a TRUS biopsy of the prostate under local anesthesia.

Trapped atomic ions for quantum-limited metrology

NASA Astrophysics Data System (ADS)

Wineland, David

2017-04-01

Laser-beam-manipulated trapped ions are a candidate for large-scale quantum information processing and quantum simulation but the basic techniques used can also be applied to quantum-limited metrology and sensing. Some examples being explored at NIST are: 1) As charged harmonic oscillators, trapped ions can be used to sense electric fields; this can be used to characterize the electrode-surface-based noisy electric fields that compromise logic-gate fidelities and may eventually be used as a tool in surface science. 2) Since typical qubit logic gates depend on state-dependent forces, we can adapt the gate dynamics to sensitively detect additional forces. 3) We can use extensions of Bell inequality measurements to further restrict the degree of local realism possessed by Bell states. 4) We also briefly describe experiments for creation of Bell states using Hilbert space engineering. This work is a joint effort including the Ion-Storage group, the Quantum processing group, and the Computing and Communications Theory group at NIST, Boulder. Supported by IARPA, ONR, and the NIST Quantum Information Program.

Kin groups and trait groups: population structure and epidemic disease selection.

PubMed

Fix, A G

1984-10-01

A Monte Carlo simulation based on the population structure of a small-scale human population, the Semai Senoi of Malaysia, has been developed to study the combined effects of group, kin, and individual selection. The population structure resembles D.S. Wilson's structured deme model in that local breeding populations (Semai settlements) are subdivided into trait groups (hamlets) that may be kin-structured and are not themselves demes. Additionally, settlement breeding populations are connected by two-dimensional stepping-stone migration approaching 30% per generation. Group and kin-structured group selection occur among hamlets the survivors of which then disperse to breed within the settlement population. Genetic drift is modeled by the process of hamlet formation; individual selection as a deterministic process, and stepping-stone migration as either random or kin-structured migrant groups. The mechanism for group selection is epidemics of infectious disease that can wipe out small hamlets particularly if most adults become sick and social life collapses. Genetic resistance to a disease is an individual attribute; however, hamlet groups with several resistant adults are less likely to disintegrate and experience high social mortality. A specific human gene, hemoglobin E, which confers resistance to malaria, is studied as an example of the process. The results of the simulations show that high genetic variance among hamlet groups may be generated by moderate degrees of kin-structuring. This strong microdifferentiation provides the potential for group selection. The effect of group selection in this case is rapid increase in gene frequencies among the total set of populations. In fact, group selection in concert with individual selection produced a faster rate of gene frequency increase among a set of 25 populations than the rate within a single unstructured population subject to deterministic individual selection. Such rapid evolution with plausible rates of extinction, individual selection, and migration and a population structure realistic in its general form, has implications for specific human polymorphisms such as hemoglobin variants and for the more general problem of the tempo of evolution as well.

Benefits of Atrial Substrate Modification Guided by Electrogram Similarity and Phase Mapping Techniques to Eliminate Rotors and Focal Sources Versus Conventional Defragmentation in Persistent Atrial Fibrillation.

PubMed

Lin, Yenn-Jiang; Lo, Men-Tzung; Chang, Shih-Lin; Lo, Li-Wei; Hu, Yu-Feng; Chao, Tze-Fan; Chung, Fa-Po; Liao, Jo-Nan; Lin, Chin-Yu; Kuo, Huan-Yu; Chang, Yi-Chung; Lin, Chen; Tuan, Ta-Chuan; Vincent Young, Hsu-Wen; Suenari, Kazuyoshi; Dan Do, Van Buu; Raharjo, Suunu Budhi; Huang, Norden E; Chen, Shih-Ann

2016-11-01

This prospective study compared the efficacy of atrial substrate modification guided by a nonlinear phase mapping technique with that of conventional substrate ablation. The optimal ablation strategy for persistent atrial fibrillation (AF) was unknown. In phase 1 study, we applied a cellular automation technique to simulate the electrical wave propagation to improve the phase mapping algorithm, involving analysis of high-similarity electrogram regions. In addition, we defined rotors and focal AF sources, using the physical parameters of the divergence and curvature forces. In phase 2 study, we enrolled 68 patients with persistent AF undergoing substrate modification into 2 groups, group-1 (n = 34) underwent similarity index (SI) and phase mapping techniques; group-2 (n = 34) received complex fractionated atrial electrogram ablation with commercially available software. Group-1 received real-time waveform similarity measurements in which a phase mapping algorithm was applied to localize the sources. We evaluated the single-procedure freedom from AF. In group-1, we identified an average of 2.6 ± 0.89 SI regions per chamber. These regions involved rotors and focal sources in 65% and 77% of patients in group-1, respectively. Group-1 patients had shorter ablation procedure times, higher termination rates, and significant reduction in AF recurrence compared to group-2 and a trend toward benefit for all atrial arrhythmias. Multivariate analysis showed that substrate mapping using nonlinear similarity and phase mapping was the independent predictor of freedom from AF recurrence (hazard ratio: 0.26; 95% confidence interval: 0.09 to 0.74; p = 0.01). Our study showed that for persistent AF ablation, a specified substrate modification guided by nonlinear phase mapping could eliminate localized re-entry and non-pulmonary focal sources after pulmonary vein isolation. Copyright © 2016 American College of Cardiology Foundation. Published by Elsevier Inc. All rights reserved.

Investigations of glass structure using fluorescence line narrowing and moleuclar dynamics simulations

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

Weber, M.J.; Brawer, S.A.

1982-07-02

The local structure at individual ion sites in simple and multicomponent glasses is simulated using methods of molecular dynamics. Computer simulations of fluoroberyllate glasses predict a range of ion separations and coordination numbers that increases with increasing complexity of the glass composition. This occurs at both glass forming and glass modifying cation sites. Laser-induced fluorescence line-narrowing techniques provide a unique probe of the local environments of selected subsets of ions and are used to measure site to site variations in the electronic energy levels and transition probabilities of rare earth ions. These and additional results from EXAFS, neutron and x-raymore » diffraction, and NMR experiments are compared with simulated glass structures.« less

Spatially Localized Particle Energization by Landau Damping in Current Sheets

NASA Astrophysics Data System (ADS)

Howes, G. G.; Klein, K. G.; McCubbin, A. J.

2017-12-01

Understanding the mechanisms of particle energization through the removal of energy from turbulent fluctuations in heliospheric plasmas is a grand challenge problem in heliophysics. Under the weakly collisional conditions typical of heliospheric plasma, kinetic mechanisms must be responsible for this energization, but the nature of those mechanisms remains elusive. In recent years, the spatial localization of plasma heating near current sheets in the solar wind and numerical simulations has gained much attention. Here we show, using the innovative and new field-particle correlation technique, that the spatially localized particle energization occurring in a nonlinear gyrokinetic simulation has the velocity space signature of Landau damping, suggesting that this well-known collisionless damping mechanism indeed actively leads to spatially localized heating in the vicinity of current sheets.

Utility of a novel error-stepping method to improve gradient-based parameter identification by increasing the smoothness of the local objective surface: a case-study of pulmonary mechanics.

PubMed

Docherty, Paul D; Schranz, Christoph; Chase, J Geoffrey; Chiew, Yeong Shiong; Möller, Knut

2014-05-01

Accurate model parameter identification relies on accurate forward model simulations to guide convergence. However, some forward simulation methodologies lack the precision required to properly define the local objective surface and can cause failed parameter identification. The role of objective surface smoothness in identification of a pulmonary mechanics model was assessed using forward simulation from a novel error-stepping method and a proprietary Runge-Kutta method. The objective surfaces were compared via the identified parameter discrepancy generated in a Monte Carlo simulation and the local smoothness of the objective surfaces they generate. The error-stepping method generated significantly smoother error surfaces in each of the cases tested (p<0.0001) and more accurate model parameter estimates than the Runge-Kutta method in three of the four cases tested (p<0.0001) despite a 75% reduction in computational cost. Of note, parameter discrepancy in most cases was limited to a particular oblique plane, indicating a non-intuitive multi-parameter trade-off was occurring. The error-stepping method consistently improved or equalled the outcomes of the Runge-Kutta time-integration method for forward simulations of the pulmonary mechanics model. This study indicates that accurate parameter identification relies on accurate definition of the local objective function, and that parameter trade-off can occur on oblique planes resulting prematurely halted parameter convergence. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

B-scan technique for localization and characterization of fatigue cracks around fastener holes in multi-layered structures

NASA Astrophysics Data System (ADS)

Hopkins, Deborah; Datuin, Marvin; Aldrin, John; Warchol, Mark; Warchol, Lyudmila; Forsyth, David

2018-04-01

The work presented here aims to develop and transition angled-beam shear-wave inspection techniques for crack localization at fastener sites in multi-layer aircraft structures. This requires moving beyond detection to achieve reliable crack location and size, thereby providing invaluable information for maintenance actions and service-life management. The technique presented is based on imaging cracks in "True" B-scans (depth view projected in the sheets along the beam path). The crack traces that contribute to localization in the True B-scans depend on small, diffracted signals from the crack edges and tips that are visible in simulations and experimental data acquired with sufficient gain. The most recent work shows that cracks rotated toward and away from the central ultrasonic beam also yield crack traces in True B-scans that allow localization in simulations, even for large obtuse angles where experimental and simulation results show very small or no indications in the C-scans. Similarly, for two sheets joined by sealant, simulations show that cracks in the second sheet can be located in True B-scans for all locations studied: cracks that intersect the front or back wall of the second sheet, as well as relatively small mid-bore cracks. These results are consistent with previous model verification and sensitivity studies that demonstrate crack localization in True B-scans for a single sheet and cracks perpendicular to the ultrasonic beam.

A study of self organized criticality in ion temperature gradient mode driven gyrokinetic turbulence

NASA Astrophysics Data System (ADS)

Mavridis, M.; Isliker, H.; Vlahos, L.; Görler, T.; Jenko, F.; Told, D.

2014-10-01

An investigation on the characteristics of self organized criticality (Soc) in ITG mode driven turbulence is made, with the use of various statistical tools (histograms, power spectra, Hurst exponents estimated with the rescaled range analysis, and the structure function method). For this purpose, local non-linear gyrokinetic simulations of the cyclone base case scenario are performed with the GENE software package. Although most authors concentrate on global simulations, which seem to be a better choice for such an investigation, we use local simulations in an attempt to study the locally underlying mechanisms of Soc. We also study the structural properties of radially extended structures, with several tools (fractal dimension estimate, cluster analysis, and two dimensional autocorrelation function), in order to explore whether they can be characterized as avalanches. We find that, for large enough driving temperature gradients, the local simulations exhibit most of the features of Soc, with the exception of the probability distribution of observables, which show a tail, yet they are not of power-law form. The radial structures have the same radial extent at all temperature gradients examined; radial motion (transport) though appears only at large temperature gradients, in which case the radial structures can be interpreted as avalanches.

Solar Wind - Magnetosheath - Magnetopause Interactions in Global Hybrid-Vlasov Simulations

NASA Astrophysics Data System (ADS)

Hoilijoki, S.; Pfau-Kempf, Y.; Ganse, U.; Hietala, H.; Cassak, P.; Walsh, B.; Juusola, L.; Jarvinen, R.; von Alfthan, S.; Palmroth, M.

2017-12-01

We present results of interactions of solar wind and Earth's magnetosphere in global hybrid-Vlasov simulations carried out using the Vlasiator model. Vlasiator propagates ions as velocity distribution functions by solving the Vlasov equation and electrons are treated as charge-neutralizing massless fluid. Vlasiator simulations show a strong coupling between the ion scale and global scale physics. Global scale phenomena affect the local physics and the local phenomena impact the global system. Our results have shown that mirror mode waves growing in the quasi-perpendicular magnetosheath have an impact on the local reconnection rates at the dayside magnetopause. Furthermore, multiple X-line reconnection at the dayside magnetopause leads to the formation of magnetic islands (2D flux transfer events), which launch bow waves upstream propagating through the magnetosheath. These steep bow waves have the ability to accelerate ions in the magnetosheath. When the bow waves reach the bow shock they are able to bulge the shock locally. The bulge in the shock decreases the angle between the interplanetary magnetic field and the shock normal and allows ions to be reflected back to the solar wind along the magnetic field lines. Consequently, Vlasiator simulations show that magnetosheath fluctuations affect magnetopause reconnection and reconnection may influence particle acceleration and reflection in the magnetosheath and solar wind.

A study of self organized criticality in ion temperature gradient mode driven gyrokinetic turbulence

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

Mavridis, M.; Isliker, H.; Vlahos, L.

2014-10-15

An investigation on the characteristics of self organized criticality (Soc) in ITG mode driven turbulence is made, with the use of various statistical tools (histograms, power spectra, Hurst exponents estimated with the rescaled range analysis, and the structure function method). For this purpose, local non-linear gyrokinetic simulations of the cyclone base case scenario are performed with the GENE software package. Although most authors concentrate on global simulations, which seem to be a better choice for such an investigation, we use local simulations in an attempt to study the locally underlying mechanisms of Soc. We also study the structural properties ofmore » radially extended structures, with several tools (fractal dimension estimate, cluster analysis, and two dimensional autocorrelation function), in order to explore whether they can be characterized as avalanches. We find that, for large enough driving temperature gradients, the local simulations exhibit most of the features of Soc, with the exception of the probability distribution of observables, which show a tail, yet they are not of power-law form. The radial structures have the same radial extent at all temperature gradients examined; radial motion (transport) though appears only at large temperature gradients, in which case the radial structures can be interpreted as avalanches.« less

Markov-chain model of classified atomistic transition states for discrete kinetic Monte Carlo simulations.

PubMed

Numazawa, Satoshi; Smith, Roger

2011-10-01

Classical harmonic transition state theory is considered and applied in discrete lattice cells with hierarchical transition levels. The scheme is then used to determine transitions that can be applied in a lattice-based kinetic Monte Carlo (KMC) atomistic simulation model. The model results in an effective reduction of KMC simulation steps by utilizing a classification scheme of transition levels for thermally activated atomistic diffusion processes. Thermally activated atomistic movements are considered as local transition events constrained in potential energy wells over certain local time periods. These processes are represented by Markov chains of multidimensional Boolean valued functions in three-dimensional lattice space. The events inhibited by the barriers under a certain level are regarded as thermal fluctuations of the canonical ensemble and accepted freely. Consequently, the fluctuating system evolution process is implemented as a Markov chain of equivalence class objects. It is shown that the process can be characterized by the acceptance of metastable local transitions. The method is applied to a problem of Au and Ag cluster growth on a rippled surface. The simulation predicts the existence of a morphology-dependent transition time limit from a local metastable to stable state for subsequent cluster growth by accretion. Excellent agreement with observed experimental results is obtained.

Mathematical simulation of power conditioning systems. Volume 1: Simulation of elementary units. Report on simulation methodology

NASA Technical Reports Server (NTRS)

Prajous, R.; Mazankine, J.; Ippolito, J. C.

1978-01-01

Methods and algorithms used for the simulation of elementary power conditioning units buck, boost, and buck-boost, as well as shunt PWM are described. Definitions are given of similar converters and reduced parameters. The various parts of the simulation to be carried out are dealt with; local stability, corrective network, measurements of input-output impedance and global stability. A simulation example is given.

Quantifying wall turbulence via a symmetry approach: A Lie group theory

NASA Astrophysics Data System (ADS)

She, Zhen-Su; Chen, Xi; Hussain, Fazle

2017-11-01

We present a symmetry-based approach which yields analytic expressions for the mean velocity and kinetic energy profiles from a Lie-group analysis. After verifying the dilation-group invariance of the Reynolds averaged Navier-Stokes equation in the presence of a wall, we select a stress and energy length function as similarity variables which are assumed to have a simple dilation-invariant form. Three kinds of (local) invariant forms of the length functions are postulated, a combination of which yields a multi-layer formula giving its distribution in the entire flow region normal to the wall. The mean velocity profile is then predicted using the mean momentum equation, which yields, in particular, analytic expressions for the (universal) wall function and separate wake functions for pipe and channel - which are validated by data from direct numerical simulations (DNS). Future applications to a variety of wall flows such as flows around flat plate or airfoil, in a Rayleigh-Benard cell or Taylor-Couette system, etc., are discussed, for which the dilation group invariance is valid in the wall-normal direction.

Does the dwarf galaxy system of the Milky Way originate from Andromeda?

NASA Astrophysics Data System (ADS)

Fouquet, Sylvain; Hammer, François; Yang, Yanbin; Puech, Mathieu; Flores, Hector

2012-12-01

The Local Group is often seen to be a quiescent environment without significant merger events. However, an ancient major merger may have occurred in the most massive galaxy as suggested by the M31 classical bulge and its halo haunted by numerous stellar streams. Numerical simulations have shown that tidal tails formed during gas-rich major mergers are long-lived and could be responsible for old stellar streams and likely induce the formation of tidal dwarf galaxies (TDGs). Using several hydrodynamical simulations we have investigated the most prominent tidal tail formed during the first passage, which is gas rich and contains old and metal-poor stars. We discovered several striking coincidences after comparing its location and motion to those of the Milky Way (MW) and of the Magellanic Clouds (MCs). First, the tidal tail is sweeping a relatively small volume in which the MW precisely lies. Because the geometry of the merger is somehow fixed by the anisotropic properties of the giant stream (GS), we evaluate the chance of the MW to be at such a rendezvous with this gigantic tidal tail to be 5 per cent. Secondly, the velocity of the tidal tail matches the Large Magellanic Cloud (LMC) proper motion, and reproduces quite well the geometrical and angular momentum properties of the MW dwarfs, that is, the so-called disc of satellites, also known as the vast polar structure (VPOS). Thirdly, the simulation of the tidal tail reveals one of the formed TDGs with the mass and location almost comparable to those of the LMC. Our present modelling is, however, too limited to study the detailed interaction of gas-rich TDGs with the potential of the MW, and a complementary study is required to test whether the dwarf intrinsic properties can be accounted for by our scenario. Nevertheless this study suggests a causal link between an expected event, an ancient, gas-rich major merger at the M31 location, and several enigmas in the Local Group, namely the GS in the M31 outskirts, the VPOS almost perpendicular to the MW disc, and the presence of the MCs, two Irr galaxies near the MW.

PIPI: PTM-Invariant Peptide Identification Using Coding Method.

PubMed

Yu, Fengchao; Li, Ning; Yu, Weichuan

2016-12-02

In computational proteomics, the identification of peptides with an unlimited number of post-translational modification (PTM) types is a challenging task. The computational cost associated with database search increases exponentially with respect to the number of modified amino acids and linearly with respect to the number of potential PTM types at each amino acid. The problem becomes intractable very quickly if we want to enumerate all possible PTM patterns. To address this issue, one group of methods named restricted tools (including Mascot, Comet, and MS-GF+) only allow a small number of PTM types in database search process. Alternatively, the other group of methods named unrestricted tools (including MS-Alignment, ProteinProspector, and MODa) avoids enumerating PTM patterns with an alignment-based approach to localizing and characterizing modified amino acids. However, because of the large search space and PTM localization issue, the sensitivity of these unrestricted tools is low. This paper proposes a novel method named PIPI to achieve PTM-invariant peptide identification. PIPI belongs to the category of unrestricted tools. It first codes peptide sequences into Boolean vectors and codes experimental spectra into real-valued vectors. For each coded spectrum, it then searches the coded sequence database to find the top scored peptide sequences as candidates. After that, PIPI uses dynamic programming to localize and characterize modified amino acids in each candidate. We used simulation experiments and real data experiments to evaluate the performance in comparison with restricted tools (i.e., Mascot, Comet, and MS-GF+) and unrestricted tools (i.e., Mascot with error tolerant search, MS-Alignment, ProteinProspector, and MODa). Comparison with restricted tools shows that PIPI has a close sensitivity and running speed. Comparison with unrestricted tools shows that PIPI has the highest sensitivity except for Mascot with error tolerant search and ProteinProspector. These two tools simplify the task by only considering up to one modified amino acid in each peptide, which results in a higher sensitivity but has difficulty in dealing with multiple modified amino acids. The simulation experiments also show that PIPI has the lowest false discovery proportion, the highest PTM characterization accuracy, and the shortest running time among the unrestricted tools.

CO 2 storage and potential fault instability in the St. Lawrence Lowlands sedimentary basin (Quebec, Canada): Insights from coupled reservoir-geomechanical modeling

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

Konstantinovskaya, E.; Rutqvist, J.; Malo, M.

2014-01-21

In this paper, coupled reservoir-geomechanical (TOUGH-FLAC) modeling is applied for the first time to the St. Lawrence Lowlands region to evaluate the potential for shear failure along pre-existing high-angle normal faults, as well as the potential for tensile failure in the caprock units (Utica Shale and Lorraine Group). This activity is part of a general assessment of the potential for safe CO 2 injection into a sandstone reservoir (the Covey Hill Formation) within an Early Paleozoic sedimentary basin. Field and subsurface data are used to estimate the sealing properties of two reservoir-bounding faults (Yamaska and Champlain faults). The spatial variationsmore » in fluid pressure, effective minimum horizontal stress, and shear strain are calculated for different injection rates, using a simplified 2D geological model of the Becancour area, located ~110 km southwest of Quebec City. The simulation results show that initial fault permeability affects the timing, localization, rate, and length of fault shear slip. Contrary to the conventional view, our results suggest that shear failure may start earlier for a permeable fault than for a sealing fault, depending on the site-specific geologic setting. In simulations of a permeable fault, shear slip is nucleated along a 60 m long fault segment in a thin and brittle caprock unit (Utica Shale) trapped below a thicker and more ductile caprock unit (Lorraine Group) – and then subsequently progresses up to the surface. In the case of a sealing fault, shear failure occurs later in time and is localized along a fault segment (300 m) below the caprock units. The presence of the inclined low-permeable Yamaska Fault close to the injection well causes asymmetric fluid-pressure buildup and lateral migration of the CO 2 plume away from the fault, reducing the overall risk of CO 2 leakage along faults. Finally, fluid-pressure-induced tensile fracturing occurs only under extremely high injection rates and is localized below the caprock units, which remain intact, preventing upward CO 2 migration.« less

Ligand structure and mechanical properties of single-nanoparticle thick membranes

DOE PAGES

Salerno, Kenneth Michael; Bolintineanu, Dan S.; Lane, J. Matthew D.; ...

2015-06-16

We believe that the high mechanical stiffness of single-nanoparticle-thick membranes is the result of the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with amore » nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH 3) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Additionally, the particular end group (COOH or CH 3) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.« less

Simulation of aquifer tests and ground-water flowpaths at the local scale in fractured shales and sandstones of the Brunswick Group and Lockatong Formation, Lansdale, Montgomery County, Pennsylvania

USGS Publications Warehouse

Goode, Daniel J.; Senior, Lisa A.

2000-01-01

The U.S. Geological Survey, as part of technical assistance to the U.S. Environmental Protection Agency, has constructed and calibrated models of local-scale ground-water flow in and near Lansdale, Pa., where numerous sources of industrial contamination have been consolidated into the North Penn Area 6 Superfund Site. The local-scale models incorporate hydrogeologic structure of northwest-dipping beds with uniform hydraulic properties identified in previous studies. Computations associated with mapping the dipping-bed structure into the three-dimensional model grid are handled by a preprocessor using a programmed geographic information system (GIS). Hydraulic properties are identified by calibration of the models using measured water levels during pumping and recovery from aquifer tests at three sites. Reduced flow across low-permeability beds is explicitly simulated. The dipping high-permeability beds are extensive in the strike direction but are of limited extent in the dip direction. This model structure yields ground-water-flow patterns characteristic of anisotropic aquifers; preferred flow is in the strike direction. The transmissivities of high-permeability beds in the local-scale models range from 142 to 1,900 ft2/d (feet squared per day) (13 to 177 m2/d). The hydraulic conductivities of low-permeability parts of the aquifer range from 9.6 x 10-4 to 0.26 ft/d (feet per day) (2.9 x 10-4 to 0.079 m/d). Storage coefficients and specific storage are very low, indicating the confined nature of the aquifer system. The calibrated models are used to simulate contributing areas of wells under alternative, hypothetical ground-water-management practices. Predictive contributing areas indicate the general characteristics of ground-water flow towards wells in the Lansdale area. Recharge to wells in Lansdale generally comes from infiltration near the well and over an area that extends upgradient from the well. The contributing areas for two wells pumping at 10 gal/min (gallons per minute) extend about 1,500 ft (feet) upgradient from the wells. The contributing area is more complex at ground-water divides and can extend in more than one direction to capture recharge from more than 3,300 ft away, for pumping at a rate of 30 gal/min. Locally, all recharge in the area of the pumping well is not captured; recharge in the downgradient direction about 150 ft from the pumping well will flow to other discharge locations.

Simulations of Highway Traffic With Various Degrees of Automation

DOT National Transportation Integrated Search

1996-01-01

A traffic simulator to study highway traffic under various degrees of automation is being developed at Argonne National Laboratory. The key components of this simulator include a global and a local Expert Driver Model, a human factor study and a grap...

Rupture Dynamics and Seismic Radiation on Rough Faults for Simulation-Based PSHA

NASA Astrophysics Data System (ADS)

Mai, P. M.; Galis, M.; Thingbaijam, K. K. S.; Vyas, J. C.; Dunham, E. M.

2017-12-01

Simulation-based ground-motion predictions may augment PSHA studies in data-poor regions or provide additional shaking estimations, incl. seismic waveforms, for critical facilities. Validation and calibration of such simulation approaches, based on observations and GMPE's, is important for engineering applications, while seismologists push to include the precise physics of the earthquake rupture process and seismic wave propagation in 3D heterogeneous Earth. Geological faults comprise both large-scale segmentation and small-scale roughness that determine the dynamics of the earthquake rupture process and its radiated seismic wavefield. We investigate how different parameterizations of fractal fault roughness affect the rupture evolution and resulting near-fault ground motions. Rupture incoherence induced by fault roughness generates realistic ω-2 decay for high-frequency displacement amplitude spectra. Waveform characteristics and GMPE-based comparisons corroborate that these rough-fault rupture simulations generate realistic synthetic seismogram for subsequent engineering application. Since dynamic rupture simulations are computationally expensive, we develop kinematic approximations that emulate the observed dynamics. Simplifying the rough-fault geometry, we find that perturbations in local moment tensor orientation are important, while perturbations in local source location are not. Thus, a planar fault can be assumed if the local strike, dip, and rake are maintained. The dynamic rake angle variations are anti-correlated with local dip angles. Based on a dynamically consistent Yoffe source-time function, we show that the seismic wavefield of the approximated kinematic rupture well reproduces the seismic radiation of the full dynamic source process. Our findings provide an innovative pseudo-dynamic source characterization that captures fault roughness effects on rupture dynamics. Including the correlations between kinematic source parameters, we present a new pseudo-dynamic rupture modeling approach for computing broadband ground-motion time-histories for simulation-based PSHA

Mapping of local argon impingement on a virtual surface: an insight for gas injection during FEBID

NASA Astrophysics Data System (ADS)

Wanzenboeck, H. D.; Hochleitner, G.; Mika, J.; Shawrav, M. M.; Gavagnin, M.; Bertagnolli, E.

2014-12-01

During the last decades, focused electron beam induced deposition (FEBID) has become a successful approach for direct-write fabrication of nanodevices. Such a deposition technique relies on the precursor supply to the sample surface which is typically accomplished by a gas injection system using a tube-shaped injector nozzle. This precursor injection strategy implies a position-dependent concentration gradient on the surface, which affects the geometry and chemistry of the final nanodeposit. Although simulations already proposed the local distribution of nozzle-borne gas molecules impinging on the surface, this isolated step in the FEBID process has never been experimentally measured yet. This work experimentally investigates the local distribution of impinging gas molecules on the sample plane, isolating the direct impingement component from surface diffusion or precursor depletion by deposition. The experimental setup used in this work maps and quantifies the local impinging rate of argon gas over the sample plane. This setup simulates the identical conditions for a precursor molecule during FEBID. Argon gas was locally collected with a sniffer tube, which is directly connected to a residual gas analyzer for quantification. The measured distribution of impinging gas molecules showed a strong position dependence. Indeed, a 300-µm shift of the deposition area to a position further away from the impingement center spot resulted in a 50 % decrease in the precursor impinging rate on the surface area. With the same parameters, the precursor distribution was also simulated by a Monte Carlo software by Friedli and Utke and showed a good correlation between the empirical and the simulated precursor distribution. The results hereby presented underline the importance of controlling the local precursor flux conditions in order to obtain reproducible and comparable deposition results in FEBID.

Improving Resident Performance in Knee Arthroscopy: A Prospective Value Assessment of Simulators and Cadaveric Skills Laboratories.

PubMed

Camp, Christopher L; Krych, Aaron J; Stuart, Michael J; Regnier, Terry D; Mills, Karen M; Turner, Norman S

2016-02-03

Cadaveric skills laboratories and virtual reality simulators are two common methods used outside of the operating room to improve residents' performance of knee arthroscopy. We are not aware of any head-to-head comparisons of the educational values of these two methodologies. The purpose of this prospective randomized trial was to assess the efficacy of these training methods, compare their rates of improvement, and provide economic value data to programs seeking to implement such technologies. Orthopaedic surgery residents were randomized to one of three groups: control, training on cadavera (cadaver group), and training with use of a simulator (simulator group). Residents completed pretest and posttest diagnostic knee arthroscopies on cadavera that were timed and video-recorded. Between the pretest and posttest, the control group performed no arthroscopy, the cadaver group performed four hours of practice on cadavera, and the simulator group trained for four hours on a simulator. All tests were scored in a blinded, randomized fashion using the validated Arthroscopy Surgical Skill Evaluation Tool (ASSET). The mean improvement in the ASSET score and in the time to complete the procedure were compared between the pretest and posttest and among the groups. Forty-five residents (fifteen per group) completed the study. The mean difference in the ASSET score from the pretest to the posttest was -0.40 (p = 0.776) in the control group, +4.27 (p = 0.002) in the cadaver group, and +1.92 (p = 0.096) in the simulator group (p = 0.015 for the comparison among the groups). The mean difference in the test-completion time (minutes:seconds) from the pretest to the posttest was 0:07 (p = 0.902) in the control group, 3:01 (p = 0.002) in the cadaver group, and 0:28 (p = 0.708) in the simulator group (p = 0.044 for the comparison among groups). Residents in the cadaver group improved their performance at a mean of 1.1 ASSET points per hour spent training whereas those in the simulator group improved 0.5 ASSET point per hour of training. Cadaveric skills laboratories improved residents' performance of knee arthroscopy compared with that of matched controls. Residents practicing on cadaveric specimens improved twice as fast as those utilizing a high-fidelity simulator; however, based on cost estimation specific to our institution, the simulator may be more cost-effective if it is used at least 300 hours per year. Additional study of this possibility is warranted. Copyright © 2016 by The Journal of Bone and Joint Surgery, Incorporated.

The Effects of Seductive Details in an Inflatable Planetarium

NASA Astrophysics Data System (ADS)

Gillette, Sean

Astronomy is becoming a forgotten science, which is evident by its relatively low enrollment figures compared to biology, chemistry, and physics. A portable inflatable planetarium brings relevance back to astronomy and offers support to students and educators by simulating realistic astronomical environments. This study sought to determine if learning is improved in an inflatable planetarium by adhering to the design principles of the cognitive theory of multimedia learning (CTML), specifically the coherence principle, in an authentic classroom. Two groups of 5th grade students of similar ability were purposefully assigned using a 1-teacher-to-many-students format with mean lesson lengths of 34 minutes. The experimental group was differentiated with seductive details, defined as interesting but irrelevant facts that can distract learning. The control group ( n = 28), with seductive details excluded, outperformed the experimental group (n = 28), validating the coherence principle and producing a Cohen's effect size of medium practical significance (d = 0.4). These findings suggest that CTML, when applied to planetarium instruction, does increase student learning and that seductive details do have a negative effect on learning. An adult training project was created to instruct educators on the benefits of CTML in astronomy education. This study leads to positive social change by highlighting astronomy education while providing educators with design principles of CTML in authentic settings to maximize learning, aid in the creation of digital media (astronomical simulations/instructional lessons for planetariums) and provide valuable training for owners of inflatable planetariums with the eventual goal of increasing student enrollment of astronomy courses at the local level.

Dose Escalation to the Dominant Intraprostatic Lesion Defined by Sextant Biopsy in a Permanent Prostate I-125 Implant: A Prospective Comparative Toxicity Analysis

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

Gaudet, Marc; Vigneault, Eric; Aubin, Sylviane

2010-05-01

Purpose: Using real-time intraoperative inverse-planned permanent seed prostate implant (RTIOP/PSI), multiple core biopsy maps, and three-dimensional ultrasound guidance, we planned a boost volume (BV) within the prostate to which hyperdosage was delivered selectively. The aim of this study was to investigate the potential negative effects of such a procedure. Methods and Materials: Patients treated with RTIOP/PSI for localized prostate cancer with topographic biopsy results received an intraprostatic boost (boost group [BG]). They were compared with patients treated with a standard plan (reference group [RG]). Plans were generated using a simulated annealing inverse planning algorithm. Prospectively recorded urinary, rectal, and sexualmore » toxicities and dosimetric parameters were compared between groups. Results: The study included 120 patients treated with boost technique who were compared with 70 patients treated with a standard plan. Boost technique did not significantly change the number of seeds (55.1/RG vs. 53.6/BG). The intraoperative prostate V150 was slightly higher in BG (75.2/RG vs. 77.2/BG, p = 0.039). Urethra V100, urethra D90, and rectal D50 were significantly lower in the BG. No significant differences were seen in acute or late urinary, rectal, or sexual toxicities. Conclusions: Because there were no differences between the groups in acute and late toxicities, we believe that BV can be planned and delivered to the dominant intraprostatic lesion without increasing toxicity. It is too soon to say whether a boost technique will ultimately increase local control.« less

Simulation reframed.

PubMed

Kneebone, Roger L

2016-01-01

Simulation is firmly established as a mainstay of clinical education, and extensive research has demonstrated its value. Current practice uses inanimate simulators (with a range of complexity, sophistication and cost) to address the patient 'as body' and trained actors or lay people (Simulated Patients) to address the patient 'as person'. These approaches are often separate.Healthcare simulation to date has been largely for the training and assessment of clinical 'insiders', simulating current practices. A close coupling with the clinical world restricts access to the facilities and practices of simulation, often excluding patients, families and publics. Yet such perspectives are an essential component of clinical practice. This paper argues that simulation offers opportunities to move outside a clinical 'insider' frame and create connections with other individuals and groups. Simulation becomes a bridge between experts whose worlds do not usually intersect, inviting an exchange of insights around embodied practices-the 'doing' of medicine-without jeopardising the safety of actual patients.Healthcare practice and education take place within a clinical frame that often conceals parallels with other domains of expert practice. Valuable insights emerge by viewing clinical practice not only as the application of medical science but also as performance and craftsmanship.Such connections require a redefinition of simulation. Its essence is not expensive elaborate facilities. Developments such as hybrid, distributed and sequential simulation offer examples of how simulation can combine 'patient as body' with 'patient as person' at relatively low cost, democratising simulation and exerting traction beyond the clinical sphere.The essence of simulation is a purposeful design, based on an active process of selection from an originary world, abstraction of what is criterial and re - presentation in another setting for a particular purpose or audience. This may be done within traditional simulation centres, or outside in local communities, public spaces or arts and performance venues. Simulation has established a central role in clinical education but usually focuses on learning to do things as they are already done. Imaginatively designed, simulation offers untapped potential for deep engagement with patients, publics and experts outside medicine.

The drive-wise project: driving simulator training increases real driving performance in healthy older drivers

PubMed Central

Casutt, Gianclaudio; Theill, Nathan; Martin, Mike; Keller, Martin; Jäncke, Lutz

2014-01-01

Background: Age-related cognitive decline is often associated with unsafe driving behavior. We hypothesized that 10 active training sessions in a driving simulator increase cognitive and on-road driving performance. In addition, driving simulator training should outperform cognitive training. Methods: Ninety-one healthy active drivers (62–87 years) were randomly assigned to one of three groups: (1) a driving simulator training group, (2) an attention training group (vigilance and selective attention), or (3) a control group. The main outcome variables were on-road driving and cognitive performance. Seventy-seven participants (85%) completed the training and were included in the analyses. Training gains were analyzed using a multiple regression analysis with planned orthogonal comparisons. Results: The driving simulator-training group showed an improvement in on-road driving performance compared to the attention-training group. In addition, both training groups increased cognitive performance compared to the control group. Conclusion: Driving simulator training offers the potential to enhance driving skills in older drivers. Compared to the attention training, the simulator training seems to be a more powerful program for increasing older drivers' safety on the road. PMID:24860497

A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water

NASA Astrophysics Data System (ADS)

Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul

2016-03-01

The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). For the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a "first-principles" DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.

A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water

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

Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de

2016-03-21

The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). Formore » the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a “first-principles” DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.« less

TRANSPORT BY MERIDIONAL CIRCULATIONS IN SOLAR-TYPE STARS

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

Wood, T. S.; Brummell, N. H., E-mail: tsw25@soe.ucsc.edu

2012-08-20

Transport by meridional flows has significant consequences for stellar evolution, but is difficult to capture in global-scale numerical simulations because of the wide range of timescales involved. Stellar evolution models therefore usually adopt parameterizations for such transport based on idealized laminar or mean-field models. Unfortunately, recent attempts to model this transport in global simulations have produced results that are not consistent with any of these idealized models. In an effort to explain the discrepancies between global simulations and idealized models, here we use three-dimensional local Cartesian simulations of compressible convection to study the efficiency of transport by meridional flows belowmore » a convection zone in several parameter regimes of relevance to the Sun and solar-type stars. In these local simulations we are able to establish the correct ordering of dynamical timescales, although the separation of the timescales remains unrealistic. We find that, even though the generation of internal waves by convective overshoot produces a high degree of time dependence in the meridional flow field, the mean flow has the qualitative behavior predicted by laminar, 'balanced' models. In particular, we observe a progressive deepening, or 'burrowing', of the mean circulation if the local Eddington-Sweet timescale is shorter than the viscous diffusion timescale. Such burrowing is a robust prediction of laminar models in this parameter regime, but has never been observed in any previous numerical simulation. We argue that previous simulations therefore underestimate the transport by meridional flows.« less

Using gaming simulation to evaluate bioterrorism and emergency readiness training.

PubMed

Olson, Debra K; Scheller, Amy; Wey, Andrew

2014-01-01

The University of Minnesota: Simulations, Exercises and Effective Education: Preparedness and Emergency Response Learning Center uses simulations, which allow trainees to participate in realistic scenarios, to develop and evaluate competency. In a previous study, participants in Disaster in Franklin County: A Public Health Simulation demonstrated that prior bioterrorism and emergency readiness training (BT/ER) is significantly associated with better performance in a simulated emergency. We conducted a second analysis with a larger data set, remapping simulation questions to the Public Health Preparedness and Response Core Competency Model, Version 1.0. We performed an outcome evaluation of the impact of public health preparedness training. In particular, we compared individuals with significant BT/ER training to individuals without training on the basis of performance in a simulated emergency. We grouped participants as group 1 (≥45 hours of BT/ER training) and group 2 (<45 hours). Dependent variables included effectiveness of chosen responses within the gaming simulation, which was measured as the proportion of questions answered correctly for each participant. The relationship of effectiveness with significant BT/ER training was estimated using either multiple linear or logistic regression. For overall effectiveness, group 1 had 2% more correct decisions, on average, than group 2 (P < .001). Group 1 performed significantly better, on average, than group 2 for competency 1.1 (P = .001) and competency 2.3 (P < .001). However, group 1 was significantly worse on competency 1.2 than group 2. Results indicate that prior training is significantly associated with better performance in a simulated emergency using gaming technology. Effectiveness differed by competency, indicating that more training may be needed in certain competency areas. Next steps to enhancing the usefulness of simulations in training should go beyond questioning if the learner learned and included questions related to the organizational factors that contributed to simulation effectiveness, and attributes of the simulation that encouraged competency and capacity building.

Parallel and competitive processes in hierarchical analysis: perceptual grouping and encoding of closure.

PubMed

Han, S; Humphreys, G W; Chen, L

1999-10-01

The role of perceptual grouping and the encoding of closure of local elements in the processing of hierarchical patterns was studied. Experiments 1 and 2 showed a global advantage over the local level for 2 tasks involving the discrimination of orientation and closure, but there was a local advantage for the closure discrimination task relative to the orientation discrimination task. Experiment 3 showed a local precedence effect for the closure discrimination task when local element grouping was weakened by embedding the stimuli from Experiment 1 in a background made up of cross patterns. Experiments 4A and 4B found that dissimilarity of closure between the local elements of hierarchical stimuli and the background figures could facilitate the grouping of closed local elements and enhanced the perception of global structure. Experiment 5 showed that the advantage for detecting the closure of local elements in hierarchical analysis also held under divided- and selective-attention conditions. Results are consistent with the idea that grouping between local elements takes place in parallel and competes with the computation of closure of local elements in determining the selection between global and local levels of hierarchical patterns for response.

Incorporating Hot Topics in Ocean Sciences to Outreach Activities in Marine and Environmental Science Education

NASA Astrophysics Data System (ADS)

Bergondo, D. L.; Mrakovcich, K. L.; Vlietstra, L.; Tebeau, P.; Verlinden, C.; Allen, L. A.; James, R.

2016-02-01

The US Coast Guard Academy, an undergraduate military Academy, in New London CT, provides STEM education programs to the local community that engage the public on hot topics in ocean sciences. Outreach efforts include classroom, lab, and field-based activities at the Academy as well as at local schools. In one course, we partner with a STEM high school collecting fish and environmental data on board a research vessel and subsequently students present the results of their project. In another course, cadets develop and present interactive demonstrations of marine science to local school groups. In addition, the Academy develops In another course, cadets develop and present interactive demonstrations of marine science to local school groups. In addition, the Academy develops and/or participates in outreach programs including Science Partnership for Innovation in Learning (SPIL), Women in Science, Physics of the Sea, and the Ocean Exploration Trust Honors Research Program. As part of the programs, instructors and cadets create interactive and collaborative activities that focus on hot topics in ocean sciences such as oil spill clean-up, ocean exploration, tsunamis, marine biodiversity, and conservation of aquatic habitats. Innovative science demonstrations such as real-time interactions with the Exploration Vessel (E/V) Nautilus, rotating tank simulations of ocean circulation, wave tank demonstrations, and determining what materials work best to contain and clean-up oil, are used to enhance ocean literacy. Children's books, posters and videos are some creative ways students summarize their understanding of ocean sciences and marine conservation. Despite time limitations of students and faculty, and challenges associated with securing funding to keep these programs sustainable, the impact of the programs is overwhelmingly positive. We have built stronger relationships with local community, enhanced ocean literacy, facilitated communication and mentorship between young students and scientists, and encouraged interest of underrepresented minorities in STEM education.

Simulation of ground-water flow in the Vevay Township area, Ingham County, Michigan

USGS Publications Warehouse

Luukkonen, Carol L.; Simard, Andreanne

2004-01-01

Ground water is the primary source of water for domestic, public-supply, and industrial use within the Tri-County region that includes Clinton, Eaton, and Ingham Counties in Michigan. Because of the importance of this ground-water resource, numerous communities, including the city of Mason in Ingham County, have begun local Wellhead Protection Programs. In these programs, communities protect their groundwater resource by identifying the areas that contribute water to production wells and potential sources of contamination, and by developing methods to manage and minimize threats to the water supply. In addition, some communities in Michigan are concerned about water availability, particularly in areas experiencing water-level declines in the vicinity of quarry dewatering operations. In areas where Wellhead Protection Programs are implemented and there are potential threats to the water supply, residents and communities need adequate information to protect the water supply.In 1996, a regional ground-water-flow model was developed by the U.S. Geological Survey to simulate ground-water flow in Clinton, Eaton, and Ingham Counties. This model was developed primarily to simulate the bedrock ground-waterflow system; ground-water flow in the unconsolidated glacial sediments was simulated to support analysis of flow in the underlying bedrock Saginaw aquifer. Since its development in 1996, regional model simulations have been conducted to address protection concerns and water availability questions of local water-resources managers. As a result of these continuing model simulations, additional hydrogeologic data have been acquired in the Tri-County region that has improved the characterization of the simulated ground-water-flow system and improved the model calibration. A major benefit of these updates and refinements is that the regional Tri-County model continues to be a useful tool that improves the understanding of the ground-water-flow system in the Tri-County region, provides local water-resources managers with a means to answer ground-water protection and availability questions, and serves as an example that can be applied in other areas of the state.A refined version of the 1996 Tri-County regional ground-water-flow model, developed in 1997, was modified with local hydrogeologic information in the Vevay Township area in Michigan. This model, updated in 2003 for this study, was used to simulate ground-water flow to address groundwater protection and availability questions in Vevay Township. The 2003 model included refinement of glacial and bedrock hydraulic characteristics, better representation of the degree of connection between the glacial deposits and the underlying Saginaw aquifer, and refinement of the model cell size.The 2003 model was used to simulate regional groundwater flow, to delineate areas contributing recharge and zones of contribution to production wells in the city of Mason, and to simulate the effects of present and possible future withdrawals. The areal extent of the 10- and 40-year areas contributing recharge and the zones of contribution for the city of Mason's production wells encompass about 2.3 and 6.2 square miles, respectively. Simulation results, where withdrawals for quarry operations were represented by one well pumping at 1.6 million gallons per day, indicate that water levels would decline slightly over 1 foot approximately 2 miles from the quarry in the glacial deposits and in the Saginaw aquifer. With a reduction of the local riverbed conductance or removal of local river model cells representing Mud Creek, water-level declines would extend further west of Mud Creek and further to the north, east, and south of the simulated quarry. Simulation results indicate that water withdrawn for quarry dewatering operations would decrease ground-water recharge to nearby Mud Creek, would increase ground-water discharge from Mud Creek, and that local water levels would be lowered as a result.

Convection links biomass burning to increased tropical ozone: However, models will tend to overpredict O3

NASA Astrophysics Data System (ADS)

Chatfield, Robert B.; Delany, Anthony C.

1990-10-01

Biomass burning throughout the inhabited portions of the tropics generates precursors which lead to significant local atmospheric ozone pollution. Several simulations show how this smog could be only an easily observed, local manifestation of a much broader increase in tropospheric ozone. We illustrate basic processes with a one-dimensional time-dependent model that is closer to true meteorological motions than commonly used eddy diffusion models. Its application to a representative region of South America gives reasonable simulations of the local pollutants measured there. Three illustrative simulations indicate the importance of dilution, principally due to vertical transport, in increasing the efficiency of ozone production, possibly enough for high ozone to be apparent on a very large, intercontinental scale. In the first, cook-then-mix, simulation the nitrogen oxides and other burning-produced pollutants are confined to a persistently subsident fair weather boundary layer for several days, and the resultant ozone is found to have only a transient influence on the whole column of tropospheric ozone. In the second, mix-then-cook, simulation the effect of typical cumulonimbus convection, which vents an actively polluted boundary layer, is to make a persistent increase in the tropical ozone column. Such a broadly increased ozone column is observed over the the populated "continental" portion of the tropics. A third simulation averages all emission, transport, and deposition parameters, representing one column in a global tropospheric model that does not simulate individual weather events. This "oversmoothing" simulation produces 60% more ozone than observed or otherwise modeled. Qualitatively similar overprediction is suggested for all models which average significantly in time or space, as all need do. Clearly, simulating these O3 levels will depend sensitively on knowledge of the timing of emissions and transport.

Effectiveness of simulation with team-based learning in newborn nursing care.

PubMed

Kang, Kyung-Ah; Kim, Shin-Jeong; Oh, Jina; Kim, Sunghee; Lee, Myung-Nam

2016-06-01

This study determines the effect of simulation with team-based learning (TBL) on newborn nursing care. This randomized controlled trial included 74 nursing students from one university located in Seoul, South Korea. Participants were categorized into two groups according to educational modality: one group involved both simulation and TBL, and the other involved simulation alone. Learning attitudes, academic achievement, and simulation performance were examined to assess effectiveness. The mean difference in learning attitudes between the two groups was non-significant. Low academic achievement differed significantly between the two groups (t = 3.445, P = 0.002). There was no significant difference in mean scores for simulation performance between the two groups. In this study, simulation with TBL was effective in improving learning outcomes. In current nursing education, various learning methods are employed within complex nursing situations and require flexibility and problem-solving approaches. © 2015 Wiley Publishing Asia Pty Ltd.

Simulation of Spiral Waves and Point Sources in Atrial Fibrillation with Application to Rotor Localization

PubMed Central

Ganesan, Prasanth; Shillieto, Kristina E.; Ghoraani, Behnaz

2018-01-01

Cardiac simulations play an important role in studies involving understanding and investigating the mechanisms of cardiac arrhythmias. Today, studies of arrhythmogenesis and maintenance are largely being performed by creating simulations of a particular arrhythmia with high accuracy comparable to the results of clinical experiments. Atrial fibrillation (AF), the most common arrhythmia in the United States and many other parts of the world, is one of the major field where simulation and modeling is largely used. AF simulations not only assist in understanding its mechanisms but also help to develop, evaluate and improve the computer algorithms used in electrophysiology (EP) systems for ablation therapies. In this paper, we begin with a brief overeview of some common techniques used in simulations to simulate two major AF mechanisms – spiral waves (or rotors) and point (or focal) sources. We particularly focus on 2D simulations using Nygren et al.’s mathematical model of human atrial cell. Then, we elucidate an application of the developed AF simulation to an algorithm designed for localizing AF rotors for improving current AF ablation therapies. Our simulation methods and results, along with the other discussions presented in this paper is aimed to provide engineers and professionals with a working-knowledge of application-specific simulations of spirals and foci. PMID:29629398

The Milky Way, the Local Group & the IR Tully-Fisher Diagram

NASA Technical Reports Server (NTRS)

Malhotra, S.; Spergel, D.; Rhoads, J.; Li, J.

1996-01-01

Using the near infrared fluxes of local group galaxies derived from Cosmic Background Explorer/Diffuse Infrared Background Experiment band maps and published Cepheid distances, we construct Tully-Fisher diagrams for the Local Group.

Treatment of lateral epicondilitis using three different local injection modalities: a randomized prospective clinical trial.

PubMed

Dogramaci, Yunus; Kalaci, Aydiner; Savaş, Nazan; Duman, I Gokhan; Yanat, A Nedim

2009-10-01

To determine the effectiveness of three different local injection modalities in the treatment of lateral epicondilitis. In a prospective randomized study on lateral epicondilitis, 75 patients were divided into three equal groups A, B and C (n = 25) and were treated using three different method of local injection. The patients in group A were treated with local injection of a steroid (1 mL triamcinolone) combined with local anaesthetic (1 mL lidocaine), those in group B were treated with injection of local anaesthetic (1 mL lidocaine) combined with peppering technique and those in group C with local injection of a steroid (1 mL triamcinolone) combined with local anaesthetic (1 mL lidocaine) and peppering technique. The outcome was defined by measuring the elbow pain during the activity using a 10-cm visual analogue scale (VAS) and satisfaction with the treatment using a scoring system based on the criteria of the Verhaar et al. at 3 weeks and 6 months after the injection and compared with the pre-treatment condition. There were significant (P = 0.006) differences in the successful outcomes between the three groups at 6 months. In group C in which local steroid + peppering injection technique were used; excellent results were obtained in 84% of patients comparing to 36% and 48% for patients in groups A and B, respectively. The successful outcomes were statistically higher in group C comparing to group A (P = 0.002) and group B (P = 0.011). In all groups, there was a significantly lower pain (VAS) at the 3-week and 6-month follow-ups comparing to the pre-treatment condition. VAS measured at 6-month follow-up were significantly lower in group C comparing to other groups (P = 0.002). In the treatment of lateral epicondilitis, combination of corticosteroid injections with peppering is more effective than corticosteroid injections or peppering injections alone and produces better clinical results.

Underwater Electromagnetic Sensor Networks, Part II: Localization and Network Simulations

PubMed Central

Zazo, Javier; Valcarcel Macua, Sergio; Zazo, Santiago; Pérez, Marina; Pérez-Álvarez, Iván; Jiménez, Eugenio; Cardona, Laura; Brito, Joaquín Hernández; Quevedo, Eduardo

2016-01-01

In the first part of the paper, we modeled and characterized the underwater radio channel in shallow waters. In the second part, we analyze the application requirements for an underwater wireless sensor network (U-WSN) operating in the same environment and perform detailed simulations. We consider two localization applications, namely self-localization and navigation aid, and propose algorithms that work well under the specific constraints associated with U-WSN, namely low connectivity, low data rates and high packet loss probability. We propose an algorithm where the sensor nodes collaboratively estimate their unknown positions in the network using a low number of anchor nodes and distance measurements from the underwater channel. Once the network has been self-located, we consider a node estimating its position for underwater navigation communicating with neighboring nodes. We also propose a communication system and simulate the whole electromagnetic U-WSN in the Castalia simulator to evaluate the network performance, including propagation impairments (e.g., noise, interference), radio parameters (e.g., modulation scheme, bandwidth, transmit power), hardware limitations (e.g., clock drift, transmission buffer) and complete MAC and routing protocols. We also explain the changes that have to be done to Castalia in order to perform the simulations. In addition, we propose a parametric model of the communication channel that matches well with the results from the first part of this paper. Finally, we provide simulation results for some illustrative scenarios. PMID:27999309

Simulation of the Shallow Ground-Water-Flow System near Grindstone Creek and the Community of New Post, Sawyer County, Wisconsin

USGS Publications Warehouse

Juckem, Paul F.; Hunt, Randall J.

2007-01-01

A two-dimensional, steady-state ground-water-flow model of Grindstone Creek, the New Post community, and the surrounding areas was developed using the analytic element computer code GFLOW. The parameter estimation code UCODE was used to obtain a best fit of the model to measured water levels and streamflows. The calibrated model was then used to simulate the effect of ground-water pumping on base flow in Grindstone Creek. Local refinements to the regional model were subsequently added in the New Post area, and local water-level data were used to evaluate the regional model calibration. The locally refined New Post model was also used to simulate the areal extent of capture for two existing water-supply wells and two possible replacement wells. Calibration of the regional Grindstone Creek simulation resulted in horizontal hydraulic conductivity values of 58.2 feet per day (ft/d) for the regional glacial and sandstone aquifer and 7.9 ft/d for glacial thrust-mass areas. Ground-water recharge in the calibrated regional model was 10.1 inches per year. Simulation of a golf-course irrigation well, located roughly 4,000 feet away from the creek, and pumping at 46 gallons per minute (0.10 cubic feet per second, ft3/s), reduced base flow in Grindstone Creek by 0.05 ft3/s, or 0.6 percent of the median base flow during water year 2003, compared to the calibrated model simulation without pumping. A simulation of peak pumping periods (347 gallons per minute or 0.77 ft3/s) reduced base flow in Grindstone Creek by 0.4 ft3/s (4.9 percent of the median base flow). Capture zones for existing and possible replacement wells delineated by the local New Post simulation extend from the well locations to an area south of the pumping well locations. Shallow crystalline bedrock, generally located south of the community, limits the extent of the aquifer and thus the southerly extent of the capture zones. Simulated steady-state pumping at a rate of 9,600 gallons per day (gal/d) from a possible replacement well near the Chippewa Flowage induced 70 gal/d of water from the flowage to enter the aquifer. Although no water-quality samples were collected from the Chippewa Flowage or the ground-water system, surface-water leakage into the ground-water system could potentially change the local water quality in the aquifer.

Simulation of imperfections in plastic lenses - transferring local refractive index changes into surface shape modifications

NASA Astrophysics Data System (ADS)

Arasa, Josep; Pizarro, Carles; Blanco, Patricia

2016-06-01

Injection molded plastic lenses have continuously improved their performance regarding optical quality and nowadays are as usual as glass lenses in image forming devices. However, during the manufacturing process unavoidable fluctuations in material density occur, resulting in local changes in the distribution of refractive index, which degrade the imaging properties of the polymer lens. Such material density fluctuations correlate to phase delays, which opens a path for their mapping. However, it is difficult to transfer the measured variations in refractive index into conventional optical simulation tool. Thus, we propose a method to convert the local variations in refractive index into local changes of one surface of the lens, which can then be described as a free-form surface, easy to introduce in conventional simulation tools. The proposed method was tested on a commercial gradient index (GRIN) lens for a set of six different object positions, using the MTF sagittal and tangential cuts to compare the differences between the real lens and a lens with homogenous refractive index, and the last surface converted into a free-form shape containing the internal refractive index changes. The same procedure was used to reproduce the local refractive index changes of an injected plastic lens with local index changes measured using an in-house built polariscopic arrangement, showing the capability of the method to provide successful results.

Genetic variation in aggregation behaviour and interacting phenotypes in Drosophila.

PubMed

Philippe, Anne-Sophie; Jeanson, Raphael; Pasquaretta, Cristian; Rebaudo, Francois; Sueur, Cedric; Mery, Frederic

2016-03-30

Aggregation behaviour is the tendency for animals to group together, which may have important consequences on individual fitness. We used a combination of experimental and simulation approaches to study how genetic variation and social environment interact to influence aggregation dynamics in Drosophila To do this, we used two different natural lines of Drosophila that arise from a polymorphism in the foraging gene (rovers and sitters). We placed groups of flies in a heated arena. Flies could freely move towards one of two small, cooler refuge areas. In groups of the same strain, sitters had a greater tendency to aggregate. The observed behavioural variation was based on only two parameters: the probability of entering a refuge and the likelihood of choosing a refuge based on the number of individuals present. We then directly addressed how different strains interact by mixing rovers and sitters within a group. Aggregation behaviour of each line was strongly affected by the presence of the other strain, without changing the decision rules used by each. Individuals obeying local rules shaped complex group dynamics via a constant feedback loop between the individual and the group. This study could help to identify the circumstances under which particular group compositions may improve individual fitness through underlying aggregation mechanisms under specific environmental conditions. © 2016 The Author(s).

Local control on precipitation in a fully coupled climate-hydrology model.

PubMed

Larsen, Morten A D; Christensen, Jens H; Drews, Martin; Butts, Michael B; Refsgaard, Jens C

2016-03-10

The ability to simulate regional precipitation realistically by climate models is essential to understand and adapt to climate change. Due to the complexity of associated processes, particularly at unresolved temporal and spatial scales this continues to be a major challenge. As a result, climate simulations of precipitation often exhibit substantial biases that affect the reliability of future projections. Here we demonstrate how a regional climate model (RCM) coupled to a distributed hydrological catchment model that fully integrates water and energy fluxes between the subsurface, land surface, plant cover and the atmosphere, enables a realistic representation of local precipitation. Substantial improvements in simulated precipitation dynamics on seasonal and longer time scales is seen for a simulation period of six years and can be attributed to a more complete treatment of hydrological sub-surface processes including groundwater and moisture feedback. A high degree of local influence on the atmosphere suggests that coupled climate-hydrology models have a potential for improving climate projections and the results further indicate a diminished need for bias correction in climate-hydrology impact studies.

Local control on precipitation in a fully coupled climate-hydrology model

PubMed Central

Larsen, Morten A. D.; Christensen, Jens H.; Drews, Martin; Butts, Michael B.; Refsgaard, Jens C.

2016-01-01

The ability to simulate regional precipitation realistically by climate models is essential to understand and adapt to climate change. Due to the complexity of associated processes, particularly at unresolved temporal and spatial scales this continues to be a major challenge. As a result, climate simulations of precipitation often exhibit substantial biases that affect the reliability of future projections. Here we demonstrate how a regional climate model (RCM) coupled to a distributed hydrological catchment model that fully integrates water and energy fluxes between the subsurface, land surface, plant cover and the atmosphere, enables a realistic representation of local precipitation. Substantial improvements in simulated precipitation dynamics on seasonal and longer time scales is seen for a simulation period of six years and can be attributed to a more complete treatment of hydrological sub-surface processes including groundwater and moisture feedback. A high degree of local influence on the atmosphere suggests that coupled climate-hydrology models have a potential for improving climate projections and the results further indicate a diminished need for bias correction in climate-hydrology impact studies. PMID:26960564

Nanostructural organization in carbon disulfide/ionic liquid mixtures: Molecular dynamics simulations and optical Kerr effect spectroscopy

NASA Astrophysics Data System (ADS)

Yang, Peng; Voth, Gregory A.; Xiao, Dong; Hines, Larry G.; Bartsch, Richard A.; Quitevis, Edward L.

2011-07-01

In this paper, the nanostructural organization and subpicosecond intermolecular dynamics in the mixtures of CS2 and the room temperature ionic liquid (IL) 1-pentyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ([C5mim][NTf2]) were studied as a function of concentration using molecular dynamics (MD) simulations and optical heterodyne-detected Raman-induced Kerr effect spectroscopy. At low CS2 concentrations (<10 mol.% CS2/IL), the MD simulations indicate that the CS2 molecules are localized in the nonpolar domains. In contrast, at higher concentrations (≥10 mol.% CS2/IL), the MD simulations show aggregation of the CS2 molecules. The optical Kerr effect (OKE) spectra of the mixtures are interpreted in terms of an additivity model with the components arising from the subpicosecond dynamics of CS2 and the IL. Comparison of the CS2-component with the OKE spectra of CS2 in alkane solvents is consistent with CS2 mainly being localized in the nonpolar domains, even at high CS2 concentrations, and the local CS2 concentration being higher than the bulk CS2 concentration.

Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation of solidification of pure metal.

PubMed

Shibuta, Yasushi; Sakane, Shinji; Miyoshi, Eisuke; Okita, Shin; Takaki, Tomohiro; Ohno, Munekazu

2017-04-05

Can completely homogeneous nucleation occur? Large scale molecular dynamics simulations performed on a graphics-processing-unit rich supercomputer can shed light on this long-standing issue. Here, a billion-atom molecular dynamics simulation of homogeneous nucleation from an undercooled iron melt reveals that some satellite-like small grains surrounding previously formed large grains exist in the middle of the nucleation process, which are not distributed uniformly. At the same time, grains with a twin boundary are formed by heterogeneous nucleation from the surface of the previously formed grains. The local heterogeneity in the distribution of grains is caused by the local accumulation of the icosahedral structure in the undercooled melt near the previously formed grains. This insight is mainly attributable to the multi-graphics processing unit parallel computation combined with the rapid progress in high-performance computational environments.Nucleation is a fundamental physical process, however it is a long-standing issue whether completely homogeneous nucleation can occur. Here the authors reveal, via a billion-atom molecular dynamics simulation, that local heterogeneity exists during homogeneous nucleation in an undercooled iron melt.

Locally adaptive parallel temperature accelerated dynamics method

NASA Astrophysics Data System (ADS)

Shim, Yunsic; Amar, Jacques G.

2010-03-01

The recently-developed temperature-accelerated dynamics (TAD) method [M. Sørensen and A.F. Voter, J. Chem. Phys. 112, 9599 (2000)] along with the more recently developed parallel TAD (parTAD) method [Y. Shim et al, Phys. Rev. B 76, 205439 (2007)] allow one to carry out non-equilibrium simulations over extended time and length scales. The basic idea behind TAD is to speed up transitions by carrying out a high-temperature MD simulation and then use the resulting information to obtain event times at the desired low temperature. In a typical implementation, a fixed high temperature Thigh is used. However, in general one expects that for each configuration there exists an optimal value of Thigh which depends on the particular transition pathways and activation energies for that configuration. Here we present a locally adaptive high-temperature TAD method in which instead of using a fixed Thigh the high temperature is dynamically adjusted in order to maximize simulation efficiency. Preliminary results of the performance obtained from parTAD simulations of Cu/Cu(100) growth using the locally adaptive Thigh method will also be presented.

Non-local electron transport validation using 2D DRACO simulations

NASA Astrophysics Data System (ADS)

Cao, Duc; Chenhall, Jeff; Moll, Eli; Prochaska, Alex; Moses, Gregory; Delettrez, Jacques; Collins, Tim

2012-10-01

Comparison of 2D DRACO simulations, using a modified versionfootnotetextprivate communications with M. Marinak and G. Zimmerman, LLNL. of the Schurtz, Nicolai and Busquet (SNB) algorithmfootnotetextSchurtz, Nicolai and Busquet, ``A nonlocal electron conduction model for multidimensional radiation hydrodynamics codes,'' Phys. Plasmas 7, 4238(2000). for non-local electron transport, with direct drive shock timing experimentsfootnotetextT. Boehly, et. al., ``Multiple spherically converging shock waves in liquid deuterium,'' Phys. Plasmas 18, 092706(2011). and with the Goncharov non-local modelfootnotetextV. Goncharov, et. al., ``Early stage of implosion in inertial confinement fusion: Shock timing and perturbation evolution,'' Phys. Plasmas 13, 012702(2006). in 1D LILAC will be presented. Addition of an improved SNB non-local electron transport algorithm in DRACO allows direct drive simulations with no need for an electron conduction flux limiter. Validation with shock timing experiments that mimic the laser pulse profile of direct drive ignition targets gives a higher confidence level in the predictive capability of the DRACO code. This research was supported by the University of Rochester Laboratory for Laser Energetics.

IMPRINTS OF EXPANSION ON THE LOCAL ANISOTROPY OF SOLAR WIND TURBULENCE

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

Verdini, Andrea; Grappin, Roland

2015-08-01

We study the anisotropy of II-order structure functions (SFs) defined in a frame attached to the local mean field in three-dimensional (3D) direct numerical simulations of magnetohydrodynamic turbulence, with the solar wind expansion both included and not included. We simulate spacecraft flybys through the numerical domain by taking increments along the radial (wind) direction that form an angle of 45° with the ambient magnetic field. We find that only when expansion is taken into account do the synthetic observations match the 3D anisotropy observed in the solar wind, including the change of anisotropy with scale. Our simulations also show thatmore » the anisotropy changes dramatically when considering increments oblique to the radial directions. Both results can be understood by noting that expansion reduces the radial component of the magnetic field at all scales, thus confining fluctuations in the plane perpendicular to the radial. Expansion is thus shown to affect not only the (global) spectral anisotropy, but also the local anisotropy of second-order SF by influencing the distribution of the local mean field, which enters this higher-order statistics.« less

Computationally efficient method for localizing the spiral rotor source using synthetic intracardiac electrograms during atrial fibrillation.

PubMed

Shariat, M H; Gazor, S; Redfearn, D

2015-08-01

Atrial fibrillation (AF), the most common sustained cardiac arrhythmia, is an extremely costly public health problem. Catheter-based ablation is a common minimally invasive procedure to treat AF. Contemporary mapping methods are highly dependent on the accuracy of anatomic localization of rotor sources within the atria. In this paper, using simulated atrial intracardiac electrograms (IEGMs) during AF, we propose a computationally efficient method for localizing the tip of the electrical rotor with an Archimedean/arithmetic spiral wavefront. The proposed method deploys the locations of electrodes of a catheter and their IEGMs activation times to estimate the unknown parameters of the spiral wavefront including its tip location. The proposed method is able to localize the spiral as soon as the wave hits three electrodes of the catheter. Our simulation results show that the method can efficiently localize the spiral wavefront that rotates either clockwise or counterclockwise.

Validation of non-local electron heat conduction model for radiation MHD simulation in magnetized laser plasma

NASA Astrophysics Data System (ADS)

Nagatomo, Hideo; Matsuo, Kazuki; Nicolai, Pilippe; Asahina, Takashi; Fujioka, Shinsuke

2017-10-01

In laser plasma physics, application of an external magnetic field is an attractive method for various research of high energy density physics including fast ignition. Meanwhile, in the high intense laser plasma the behavior of hot electron cannot be ignored. In the radiation hydrodynamic simulation, a classical electron conduction model, Spitzer-Harm model has been used in general. However the model has its limit, and modification of the model is necessary if it is used beyond the application limit. Modified SNB model, which considering the influence of magnetic field is applied to 2-D radiation magnetohydrodynamic code PINOCO. Some experiments related the non-local model are carried out at GXII, Osaka University. In this presentation, these experimental results are shown briefly. And comparison between simulation results considering the non-local electron heat conduction mode are discussed. This study was supported JSPS KAKENHI Grant No. 17K05728.

Detection of Local Temperature Change on HTS Cables via Time-Frequency Domain Reflectometry

NASA Astrophysics Data System (ADS)

Bang, Su Sik; Lee, Geon Seok; Kwon, Gu-Young; Lee, Yeong Ho; Ji, Gyeong Hwan; Sohn, Songho; Park, Kijun; Shin, Yong-June

2017-07-01

High temperature superconducting (HTS) cables are drawing attention as transmission and distribution cables in future grid, and related researches on HTS cables have been conducted actively. As HTS cables have come to the demonstration stage, failures of cooling systems inducing quench phenomenon of the HTS cables have become significant. Several diagnosis of the HTS cables have been developed but there are still some limitations of the experimental setup. In this paper, a non-destructive diagnostic technique for the detection of the local temperature change point is proposed. Also, a simulation model of HTS cables with a local temperature change point is suggested to verify the proposed diagnosis. The performance of the diagnosis is checked by comparative analysis between the proposed simulation results and experiment results of a real-world HTS cable. It is expected that the suggested simulation model and diagnosis will contribute to the commercialization of HTS cables in the power grid.

First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

NASA Astrophysics Data System (ADS)

Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

2018-04-01

Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

[Endoscopic diagnosis of local chemical burn of mucous membranes of the stomach, induced with the purpose of simulation of gastric ulcer].

PubMed

Byzov, N V; Plekhanov, V N

2013-01-01

With the purpose of improvement of diagnosis of induced gastric ulcer were examined 11 patients who took aggressive agents for simulation of gastric ulcer and 33 patients who took pseudo-aggressive agents. Observables, conduced diagnosis of local chemical burn of mucous coat of stomach during initial 6 days after taking aggressive agents. Stages of ulcerous process, resulting from local chemical burn of mucous coat of stomach, coressponds to real gactric ulcer. Gelatin capsule using as a container for delivery of aggressive agents, melts in stomach in 5-6 minutes after taking. Independent from body position, mucous coat of greater curvature of the stomach is damaged. It is impossible to simulate duodenal bulb ulcer using the gelatine capsule or ball made of breadcrumb. The last method of delivery of aggressive agent can damage the small intestine because of uncontrollability of the place of breaking the ball.

[Evaluation of genotoxicity induced by repetitive administration of local anaesthetics: an experimental study in rats].

PubMed

Nai, Gisele Alborghetti; de Oliveira, Mariliza Casanova; de Oliveira Tavares, Graziela; Pereira, Laís Fabrício Fonseca; Soares, Nádia Derli Salvador Lemes; Silva, Patrícia Gatti

2015-01-01

Previous studies regarding the effects of some local anaesthetics have suggested that these agents can cause genetic damage. However, they have not been tested for genotoxicity related to repetitive administration. The aim of this study was to evaluate the genotoxic potential of local anaesthetics upon repetitive administration. 80 male Wistar rats were divided into: group A - 16 rats intraperitoneally injected with lidocaine hydrochloride 2%; group B - 16 rats IP injected with mepivacaine 2%; group C - 16 rats intraperitoneally injected with articaine 4%; group D - 16 rats IP injected with prilocaine 3% (6.0mg/kg); group E - 8 rats subcutaneously injected with a single dose of cyclophosphamide; and group F - 8 rats intraperitoneally injected with saline. Eight rats from groups A to D received a single dose of anaesthetic on Day 1 of the experiment; the remaining rats were dosed once a day for 5 days. The median number of micronuclei in the local anaesthetics groups exposed for 1 or 5 days ranged from 0.00 to 1.00, in the cyclophosphamide-exposed group was 10.00, and the negative control group for 1 and 5 days was 1.00 and 0.00, respectively (p<0.0001). A significant difference in the number of micronuclei was observed between the cyclophosphamide group and all local anaesthetic groups (p=0.0001), but not between the negative control group and the local anaesthetic groups (p>0.05). No genotoxicity effect was observed upon repetitive exposure to any of the local anaesthetics evaluated. Copyright © 2013 Sociedade Brasileira de Anestesiologia. Publicado por Elsevier Editora Ltda. All rights reserved.

Synchronous parallel system for emulation and discrete event simulation

NASA Technical Reports Server (NTRS)

Steinman, Jeffrey S. (Inventor)

1992-01-01

A synchronous parallel system for emulation and discrete event simulation having parallel nodes responds to received messages at each node by generating event objects having individual time stamps, stores only the changes to state variables of the simulation object attributable to the event object, and produces corresponding messages. The system refrains from transmitting the messages and changing the state variables while it determines whether the changes are superseded, and then stores the unchanged state variables in the event object for later restoral to the simulation object if called for. This determination preferably includes sensing the time stamp of each new event object and determining which new event object has the earliest time stamp as the local event horizon, determining the earliest local event horizon of the nodes as the global event horizon, and ignoring the events whose time stamps are less than the global event horizon. Host processing between the system and external terminals enables such a terminal to query, monitor, command or participate with a simulation object during the simulation process.

Synchronous Parallel System for Emulation and Discrete Event Simulation

NASA Technical Reports Server (NTRS)

Steinman, Jeffrey S. (Inventor)

2001-01-01

A synchronous parallel system for emulation and discrete event simulation having parallel nodes responds to received messages at each node by generating event objects having individual time stamps, stores only the changes to the state variables of the simulation object attributable to the event object and produces corresponding messages. The system refrains from transmitting the messages and changing the state variables while it determines whether the changes are superseded, and then stores the unchanged state variables in the event object for later restoral to the simulation object if called for. This determination preferably includes sensing the time stamp of each new event object and determining which new event object has the earliest time stamp as the local event horizon, determining the earliest local event horizon of the nodes as the global event horizon, and ignoring events whose time stamps are less than the global event horizon. Host processing between the system and external terminals enables such a terminal to query, monitor, command or participate with a simulation object during the simulation process.

Automating NEURON Simulation Deployment in Cloud Resources.

PubMed

Stockton, David B; Santamaria, Fidel

2017-01-01

Simulations in neuroscience are performed on local servers or High Performance Computing (HPC) facilities. Recently, cloud computing has emerged as a potential computational platform for neuroscience simulation. In this paper we compare and contrast HPC and cloud resources for scientific computation, then report how we deployed NEURON, a widely used simulator of neuronal activity, in three clouds: Chameleon Cloud, a hybrid private academic cloud for cloud technology research based on the OpenStack software; Rackspace, a public commercial cloud, also based on OpenStack; and Amazon Elastic Cloud Computing, based on Amazon's proprietary software. We describe the manual procedures and how to automate cloud operations. We describe extending our simulation automation software called NeuroManager (Stockton and Santamaria, Frontiers in Neuroinformatics, 2015), so that the user is capable of recruiting private cloud, public cloud, HPC, and local servers simultaneously with a simple common interface. We conclude by performing several studies in which we examine speedup, efficiency, total session time, and cost for sets of simulations of a published NEURON model.

Automating NEURON Simulation Deployment in Cloud Resources

PubMed Central

Santamaria, Fidel

2016-01-01

Simulations in neuroscience are performed on local servers or High Performance Computing (HPC) facilities. Recently, cloud computing has emerged as a potential computational platform for neuroscience simulation. In this paper we compare and contrast HPC and cloud resources for scientific computation, then report how we deployed NEURON, a widely used simulator of neuronal activity, in three clouds: Chameleon Cloud, a hybrid private academic cloud for cloud technology research based on the Open-Stack software; Rackspace, a public commercial cloud, also based on OpenStack; and Amazon Elastic Cloud Computing, based on Amazon’s proprietary software. We describe the manual procedures and how to automate cloud operations. We describe extending our simulation automation software called NeuroManager (Stockton and Santamaria, Frontiers in Neuroinformatics, 2015), so that the user is capable of recruiting private cloud, public cloud, HPC, and local servers simultaneously with a simple common interface. We conclude by performing several studies in which we examine speedup, efficiency, total session time, and cost for sets of simulations of a published NEURON model. PMID:27655341

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

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

D'Elia, M.; Edwards, H. C.; Hu, J.

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

DOE PAGES

D'Elia, M.; Edwards, H. C.; Hu, J.; ...

2018-01-18

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Elucidation of the binding sites of sodium dodecyl sulfate to β-lactoglobulin using hydrogen/deuterium exchange mass spectrometry combined with docking simulation.

PubMed

Hu, Wenbing; Liu, Jianan; Luo, Qun; Han, Yumiao; Wu, Kui; Lv, Shuang; Xiong, Shaoxiang; Wang, Fuyi

2011-05-30

Hydrogen/deuterium exchange mass spectrometry (H/DX MS) has become a powerful tool to investigate protein-protein and protein-ligand interactions, but it is still challenging to localize the interaction regions/sites of ligands with pepsin-resistant proteins such as lipocalins. β-Lactoglobulin (BLG), a member of the lipocalin family, can bind a variety of small hydrophobic molecules including retinols, retinoic acids, and long linear fatty acids. However, whether the binding site of linear molecules locates in the external groove or internal cavity of BLG is controversial. In this study we used H/DX MS combined with docking simulation to localize the interaction sites of a tested ligand, sodium dodecyl sulfate (SDS), binding to BLG. H/DX MS results indicated that SDS can bind to both the external and the internal sites in BLG. However, neither of the sites is saturated with SDS, allowing a dynamic ligand exchange to occur between the sites at equilibrium state. Docking studies revealed that SDS forms H-bonds with Lys69 in the internal site and Lys138 and Lys141 in the external site in BLG via the sulfate group, and interacts with the hydrophobic residues valine, leucine, isoleucine and methionine within both of the sites via its hydrocarbon tail, stabilizing the BLG-SDS complex. Copyright © 2011 John Wiley & Sons, Ltd.

Understanding the complex dynamics of stock markets through cellular automata

NASA Astrophysics Data System (ADS)

Qiu, G.; Kandhai, D.; Sloot, P. M. A.

2007-04-01

We present a cellular automaton (CA) model for simulating the complex dynamics of stock markets. Within this model, a stock market is represented by a two-dimensional lattice, of which each vertex stands for a trader. According to typical trading behavior in real stock markets, agents of only two types are adopted: fundamentalists and imitators. Our CA model is based on local interactions, adopting simple rules for representing the behavior of traders and a simple rule for price updating. This model can reproduce, in a simple and robust manner, the main characteristics observed in empirical financial time series. Heavy-tailed return distributions due to large price variations can be generated through the imitating behavior of agents. In contrast to other microscopic simulation (MS) models, our results suggest that it is not necessary to assume a certain network topology in which agents group together, e.g., a random graph or a percolation network. That is, long-range interactions can emerge from local interactions. Volatility clustering, which also leads to heavy tails, seems to be related to the combined effect of a fast and a slow process: the evolution of the influence of news and the evolution of agents’ activity, respectively. In a general sense, these causes of heavy tails and volatility clustering appear to be common among some notable MS models that can confirm the main characteristics of financial markets.

Image-guided spatial localization of heterogeneous compartments for magnetic resonance

PubMed Central

An, Li; Shen, Jun

2015-01-01

Purpose: Image-guided localization SPectral Localization Achieved by Sensitivity Heterogeneity (SPLASH) allows rapid measurement of signals from irregularly shaped anatomical compartments without using phase encoding gradients. Here, the authors propose a novel method to address the issue of heterogeneous signal distribution within the localized compartments. Methods: Each compartment was subdivided into multiple subcompartments and their spectra were solved by Tikhonov regularization to enforce smoothness within each compartment. The spectrum of a given compartment was generated by combining the spectra of the components of that compartment. The proposed method was first tested using Monte Carlo simulations and then applied to reconstructing in vivo spectra from irregularly shaped ischemic stroke and normal tissue compartments. Results: Monte Carlo simulations demonstrate that the proposed regularized SPLASH method significantly reduces localization and metabolite quantification errors. In vivo results show that the intracompartment regularization results in ∼40% reduction of error in metabolite quantification. Conclusions: The proposed method significantly reduces localization errors and metabolite quantification errors caused by intracompartment heterogeneous signal distribution. PMID:26328977

Effect of simulation on the ability of first year nursing students to learn vital signs.

PubMed

Eyikara, Evrim; Baykara, Zehra Göçmen

2018-01-01

The acquisition of cognitive, affective and psychomotor knowledge and skills are required in nursing, made possible via an interactive teaching method, such as simulation. This study conducted to identify the impact of simulation on first-year nursing students' ability to learn vital signs. A convenience sample of 90 first-year nursing students enrolled at a University, Ankara, in 2014-2015. Ninety students enrolled for lessons on the "Fundamentals of Nursing" were identified using a simple random sampling method. The students were taught vital signs theory via traditional methods. They were grouped into experimental 1, experimental 2 and control group, of 30 students each. Students in the experimental 1 group attended sessions on simulation and those in the experimental 2 group sessions on laboratory work, followed by simulation. The control group were taught via traditional methods and only attended the laboratory work sessions. The students' cognitive knowledge acquisition was evaluated using a knowledge test before and after the lessons. The ability to measure vital signs in adults (healthy ones and patients) was evaluated using a skill control list. A statistically significant difference was not observed between the groups in terms of the average pre-test scores on knowledge (p>0.050). Groups exposed to simulation obtained statistically significantly higher scores than the control group in post-test knowledge (p<0.050). The ability of the groups exposed to simulation to measure vital signs in healthy adults and patients was more successful than that the control group (p<0.050). This was statistically significant. Simulation had a positive effect on the ability of nursing students to measure vital signs. Thus, simulation should be included in the mainstream curriculum in order to effectively impart nursing knowledge and skills. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of a System Thinking-Based Simulation Program for Congestive Heart Failure.

PubMed

Kim, Hyeon-Young; Yun, Eun Kyoung

2018-03-01

This study evaluated a system thinking-based simulation program for the care of patients with congestive heart failure. Participants were 67 undergraduate nursing students from a nursing college in Seoul, South Korea. The experimental group was given a 4-hour system-thinking program and a 2-hour simulation program, whereas the control group had a 4-hour case study and a 2-hour simulation program. There were significant improvements in critical thinking in both groups, but no significant group differences between educational methods (F = 3.26, P = .076). Problem-solving ability in the experimental group was significantly higher than in the control group (F = 5.04, P = .028). Clinical competency skills in the experimental group were higher than in the control group (t = 2.12, P = .038). A system thinking-based simulation program is a more effective learning method in terms of problem-solving ability and clinical competency skills compared to the existing simulation program. Further research using a longitudinal study is needed to test the long-term effect of the intervention and apply it to the nursing curriculum.

The effects of local nitroglycerin on the surgical delay procedure in prefabricated flaps by vascular implant in rats.

PubMed

Sá, Jairo Zacchê de; Aguiar, José Lamartine de Andrade; Cruz, Adriana Ferreira; Schuler, Alexandre Ricardo Pereira; Lima, José Ricardo Alves de; Marques, Olga Martins

2012-12-01

To evaluate the effect of local nitroglycerin on the viable area of a prefabricated flap for vascular implant in rats, and to investigate the surgical delay procedure. A femoral pedicle was implanted under the skin of the abdominal wall in forty Wistar rats. The animals were divided into four groups of ten: group 1 - without surgical delay procedure and local nitroglycerin; group 2 - with surgical delay procedure, but without local nitroglycerin; group 3 - without surgical delay procedure, but with local nitroglycerin; and group 4 - with simultaneous surgical delay procedure and local nitroglycerin. The percentages of the viable areas, in relation to the total flap, were calculated using AutoCAD R 14. The mean percentage value of the viable area was 8.9% in the group 1. 49.4% in the group 2; 8.4% in the group 3 and 1.1% in the group 4. There was significant difference between groups 1 and 2 (p=0.005), 1 and 4 (p=0.024), 2 and 3 (p=0.003), 2 and 4 (p=0.001). These results support the hypothesis that the closure of the arterial venous channels is responsible for the phenomenon of surgical delay procedure. Local nitroglycerin did not cause an increase in the prefabricated viable flap area by vascular implantation and decreased the viable flap area that underwent delay procedures.

A 3D simulation look-up library for real-time airborne gamma-ray spectroscopy

NASA Astrophysics Data System (ADS)

Kulisek, Jonathan A.; Wittman, Richard S.; Miller, Erin A.; Kernan, Warnick J.; McCall, Jonathon D.; McConn, Ron J.; Schweppe, John E.; Seifert, Carolyn E.; Stave, Sean C.; Stewart, Trevor N.

2018-01-01

A three-dimensional look-up library consisting of simulated gamma-ray spectra was developed to leverage, in real-time, the abundance of data provided by a helicopter-mounted gamma-ray detection system consisting of 92 CsI-based radiation sensors and exhibiting a highly angular-dependent response. We have demonstrated how this library can be used to help effectively estimate the terrestrial gamma-ray background, develop simulated flight scenarios, and to localize radiological sources. Source localization accuracy was significantly improved, particularly for weak sources, by estimating the entire gamma-ray spectra while accounting for scattering in the air, and especially off the ground.

Development and application of a local linearization algorithm for the integration of quaternion rate equations in real-time flight simulation problems

NASA Technical Reports Server (NTRS)

Barker, L. E., Jr.; Bowles, R. L.; Williams, L. H.

1973-01-01

High angular rates encountered in real-time flight simulation problems may require a more stable and accurate integration method than the classical methods normally used. A study was made to develop a general local linearization procedure of integrating dynamic system equations when using a digital computer in real-time. The procedure is specifically applied to the integration of the quaternion rate equations. For this application, results are compared to a classical second-order method. The local linearization approach is shown to have desirable stability characteristics and gives significant improvement in accuracy over the classical second-order integration methods.

A redshift survey of IRAS galaxies. V - The acceleration on the Local Group

NASA Technical Reports Server (NTRS)

Strauss, Michael A.; Yahil, Amos; Davis, Marc; Huchra, John P.; Fisher, Karl

1992-01-01

The acceleration on the Local Group is calculated based on a full-sky redshift survey of 5288 galaxies detected by IRAS. A formalism is developed to compute the distribution function of the IRAS acceleration for a given power spectrum of initial perturbations. The computed acceleration on the Local Group points 18-28 deg from the direction of the Local Group peculiar velocity vector. The data suggest that the CMB dipole is indeed due to the motion of the Local Group, that this motion is gravitationally induced, and that the distribution of IRAS galaxies on large scales is related to that of dark matter by a simple linear biasing model.

Improved fourth-year medical student clinical decision-making performance as a resuscitation team leader after a simulation-based curriculum.

PubMed

Ten Eyck, Raymond P; Tews, Matthew; Ballester, John M; Hamilton, Glenn C

2010-06-01

To determine the impact of simulation-based instruction on student performance in the role of emergency department resuscitation team leader. A randomized, single-blinded, controlled study using an intention to treat analysis. Eighty-three fourth-year medical students enrolled in an emergency medicine clerkship were randomly allocated to two groups differing only by instructional format. Each student individually completed an initial simulation case, followed by a standardized curriculum of eight cases in either group simulation or case-based group discussion format before a second individual simulation case. A remote coinvestigator measured eight objective performance end points using digital recordings of all individual simulation cases. McNemar chi2, Pearson correlation, repeated measures multivariate analysis of variance, and follow-up analysis of variance were used for statistical evaluation. Sixty-eight students (82%) completed both initial and follow-up individual simulations. Eight students were lost from the simulation group and seven from the discussion group. The mean postintervention case performance was significantly better for the students allocated to simulation instruction compared with the group discussion students for four outcomes including a decrease in mean time to (1) order an intravenous line; (2) initiate cardiac monitoring; (3) order initial laboratory tests; and (4) initiate blood pressure monitoring. Paired comparisons of each student's initial and follow-up simulations demonstrated significant improvement in the same four areas, in mean time to order an abdominal radiograph and in obtaining an allergy history. A single simulation-based teaching session significantly improved student performance as a team leader. Additional simulation sessions provided further improvement compared with instruction provided in case-based group discussion format.

Effectiveness of policy to provide breastfeeding groups (BIG) for pregnant and breastfeeding mothers in primary care: cluster randomised controlled trial

PubMed Central

Britten, Jane; Prescott, Gordon J; Tappin, David; Ludbrook, Anne; Godden, David J

2009-01-01

Objective To assess the clinical effectiveness and cost effectiveness of a policy to provide breastfeeding groups for pregnant and breastfeeding women. Design Cluster randomised controlled trial with prospective mixed method embedded case studies to evaluate implementation processes. Setting Primary care in Scotland. Participants Pregnant women, breastfeeding mothers, and babies registered with 14 of 66 eligible clusters of general practices (localities) in Scotland that routinely collect breastfeeding outcome data. Intervention Localities set up new breastfeeding groups to provide population coverage; control localities did not change group activity. Main outcome measures Primary outcome: any breast feeding at 6-8 weeks from routinely collected data for two pre-trial years and two trial years. Secondary outcomes: any breast feeding at birth, 5-7 days, and 8-9 months; maternal satisfaction. Results Between 1 February 2005 and 31 January 2007, 9747 birth records existed for intervention localities and 9111 for control localities. The number of breastfeeding groups increased from 10 to 27 in intervention localities, where 1310 women attended, and remained at 10 groups in control localities. No significant differences in breastfeeding outcomes were found. Any breast feeding at 6-8 weeks declined from 27% to 26% in intervention localities and increased from 29% to 30% in control localities (P=0.08, adjusted for pre-trial rate). Any breast feeding at 6-8 weeks increased from 38% to 39% in localities not participating in the trial. Women who attended breastfeeding groups were older (P<0.001) than women initiating breast feeding who did not attend and had higher income (P=0.02) than women in the control localities who attended postnatal groups. The locality cost was £13 400 (€14 410; $20 144) a year. Conclusion A policy for providing breastfeeding groups in relatively deprived areas of Scotland did not improve breastfeeding rates at 6-8 weeks. The costs of running groups would be similar to the costs of visiting women at home. Trial registration Current Controlled Trials ISRCTN44857041. PMID:19181729

A taxonomic monograph of the genus Tylodinus Champion (Coleoptera: Curculionidae: Cryptorhynchinae: Tylodina) of Chiapas, Mexico.

PubMed

Luna-Cozar, Jesús; Anderson, Robert S; Jones, Robert W; León-Corté, Jorge L

2014-04-15

The species of the genus Tylodinus from the Mexican state of Chiapas are revised. We examined 989 specimens representing 36 species; 23 species are grouped into eight species groups with 13 species considered as Incertae sedis. A total of 32 species are described as new and one species is a new record for México. Species groups  (numbers of species in parentheses) and species are: Tylodinus buchanani species group (6) T. buchanani new species (type locality: Chiapas, Unión Juárez, Volcán Tacan), T. exiguus new species (type locality: Chiapas, Motozintla, 7 km SSW Motozintla de Mendoza), T. ixchel new species (type locality: Chiapas, Unión Juarez, Volcán Tacan), T. jonesi new species (type locality: Chiapas, Angel Albino Corzo, Reserva de la Biosfera el Triunfo, Campamento el Quetzal), T. variabilis new species (type locality: Chiapas, San Cristóbal de las Casas, Cerro Huitepec), T. wibmeri new species (type locality: Chiapas, Motozintla, 7 km SSW Motozintla de Mendoza); Tylodinus canaliculatus species group (3) T. canaliculatus Champion (Chiapas, Unión Juárez, Volcán Tacan, new record for  México), T. sepulturaensis new species (Type locality: Chiapas, Villa Corzo, Ejido Sierra Morena), T. triumforium new species (Type locality: Chiapas, La Concordia, 4 km SE Custepec); Tylodinus cavicrus species group (3) T. cavicrus Champion, T. pseudocavicrus new species (type locality: Chiapas, San Cristóbal de las Casas, Cerro Huitepec), T. rugosus new species (type locality: Chiapas, Villa Flores, Sierra Morena); Tylodinus coapillensis species group (2) T. coapillensis new species (type locality: Chiapas, Coapilla, ca. 10.5 km NE Coapilla), T. leoncortesi new species (type locality: Chiapas, Pueblo Nuevo Solistahuacán, La Yerbabuena); Tylodinus mutabilis species group (2) Tylodinus mutabilis new species (type locality: Chiapas, Villa Corzo, Ejido Sierra Morena), T. parvus new species (type locality: Chiapas, Trinitaria, Lagunas de Montebello); Tylodinus nodulosus species group (3) T. andersoni new species (Chiapas, Ángel Albino Corzo, Reserva El Triunfo, Polígono 1), T. nodulosus (Boheman), T. zilchi Kuschel; Tylodinus pusillus species group (2) T. porvenirensis new species (type locality: Chiapas, El Porvenir, El Porvenir (2 km NE)), T. pusillus new species (type locality: Chiapas, 4 km SE Custepec); Tylodinus spiniventris species group (2) T. lum new species (Chiapas, San Cristóbal de las Casas, Cerro Huitepec), and T. spiniventris new species (type locality: Chiapas, San Cristóbal de las Casas, Reserva Huitepec); Incertae sedis (13) T. pinguis new species (type locality: Chiapas, Ángel Albino Corzo, Reserva El Triunfo, Polígono 1) , T. kissingeri new species (type locality: Chiapas, Tapalapa, ca. 14 km NE Coapilla), T. complicatus new species (type locality: Chiapas, Pueblo Nuevo Solistahuacán, La Yerbabuena), T. dominicus new species (type locality: Chiapas, Villa Corzo, Reserva de la Biósfera La Sepultura), T. noctis new species (type locality: Chiapas, Coapilla, ca. 10.5 km NE Coapilla), T. rufus new species (type locality: Chiapas, San Cristóbal de las Casas, Cerro Huitepec); T. branstetteri new species (type locality: Chiapas, La Concordia, 4 km SE Custepec), T. kuscheli new species (type locality: Chiapas, Villa Flores, Ejido Sierra Morena), T. pappi new species (type locality: Chiapas, Unión Juárez, Volcán Tacan), T. gibbosus new species (type locality: Chiapas, Pueblo Nuevo Solistahuacán, Yerbabuena Reserve), T. immundus new species (type locality: Chiapas, San Cristóbal de las Casas Cerro Huitepec), T. intzin new species (type locality: Chiapas, Tenejapa, Yashanal), T. elongatus new species (type locality: Chiapas, Ángel Albino Corzo, Reserva El Triunfo, Polígono 1). Three species (T. nodulosus (Boheman), T. zilchi Kuschel and T. cavicrus Champion) are not known to occur in Chiapas but were included in this study to be more representative of inter- and intraspecific variation and to provide a better definition of the taxonomic limits of species and species groups.        Species groups are characterized and taxonomic composition and general distribution and ecological correlates summarized. Diagnoses and distributions are given for all species and ecological information is presented where available. Immature stages, life history and food habits are not known for any of the species. 

Numerical Viscosity and the Survival of Gas Giant Protoplanets in Disk Simulations

NASA Astrophysics Data System (ADS)

Pickett, Megan K.; Durisen, Richard H.

2007-01-01

We present three-dimensional hydrodynamic simulations of a gravitationally unstable protoplanetary disk model under the condition of local isothermality. Ordinarily, local isothermality precludes the need for an artificial viscosity (AV) scheme to mediate shocks. Without AV, the disk evolves violently, shredding into dense (although short-lived) clumps. When we introduce our AV treatment in the momentum equation, but without heating due to irreversible compression, our grid-based simulations begin to resemble smoothed particle hydrodynamics (SPH) calculations, where clumps are more likely to survive many orbits. In fact, the standard SPH viscosity appears comparable in strength to the AV that leads to clump longevity in our code. This sensitivity to one numerical parameter suggests extreme caution in interpreting simulations by any code in which long-lived gaseous protoplanetary bodies appear.