Real-time high dynamic range laser scanning microscopy

NASA Astrophysics Data System (ADS)

Vinegoni, C.; Leon Swisher, C.; Fumene Feruglio, P.; Giedt, R. J.; Rousso, D. L.; Stapleton, S.; Weissleder, R.

2016-04-01

In conventional confocal/multiphoton fluorescence microscopy, images are typically acquired under ideal settings and after extensive optimization of parameters for a given structure or feature, often resulting in information loss from other image attributes. To overcome the problem of selective data display, we developed a new method that extends the imaging dynamic range in optical microscopy and improves the signal-to-noise ratio. Here we demonstrate how real-time and sequential high dynamic range microscopy facilitates automated three-dimensional neural segmentation. We address reconstruction and segmentation performance on samples with different size, anatomy and complexity. Finally, in vivo real-time high dynamic range imaging is also demonstrated, making the technique particularly relevant for longitudinal imaging in the presence of physiological motion and/or for quantification of in vivo fast tracer kinetics during functional imaging.

Dynamic train-turnout interaction in an extended frequency range using a detailed model of track dynamics

NASA Astrophysics Data System (ADS)

Kassa, Elias; Nielsen, Jens C. O.

2009-03-01

A time domain solution method for general three-dimensional dynamic interaction of train and turnout (switch and crossing) that accounts for excitation in an extended frequency range (up to several hundred Hz) is proposed. Based on a finite element (FE) model of a standard turnout design, a complex-valued modal superposition of track dynamics is applied using the first 500 eigenmodes of the turnout model. The three-dimensional model includes the distribution of structural flexibility along the turnout, such as bending and torsion of rails and sleepers, and the variations in rail cross-section and sleeper length. Convergence of simulation results is studied while using an increasing number of eigenmodes. It is shown that modes with eigenfrequencies up to at least 200 Hz have a significant influence on the magnitudes of the wheel-rail contact forces. Results from using a simplified track model with a commercial computer program for low-frequency vehicle dynamics are compared with the results from using the detailed FE model in conjunction with the proposed method.

Extending radiative transfer models by use of Bayes rule. [in atmospheric science

NASA Technical Reports Server (NTRS)

Whitney, C.

1977-01-01

This paper presents a procedure that extends some existing radiative transfer modeling techniques to problems in atmospheric science where curvature and layering of the medium and dynamic range and angular resolution of the signal are important. Example problems include twilight and limb scan simulations. Techniques that are extended include successive orders of scattering, matrix operator, doubling, Gauss-Seidel iteration, discrete ordinates and spherical harmonics. The procedure for extending them is based on Bayes' rule from probability theory.

Real-time high dynamic range laser scanning microscopy

PubMed Central

Vinegoni, C.; Leon Swisher, C.; Fumene Feruglio, P.; Giedt, R. J.; Rousso, D. L.; Stapleton, S.; Weissleder, R.

2016-01-01

In conventional confocal/multiphoton fluorescence microscopy, images are typically acquired under ideal settings and after extensive optimization of parameters for a given structure or feature, often resulting in information loss from other image attributes. To overcome the problem of selective data display, we developed a new method that extends the imaging dynamic range in optical microscopy and improves the signal-to-noise ratio. Here we demonstrate how real-time and sequential high dynamic range microscopy facilitates automated three-dimensional neural segmentation. We address reconstruction and segmentation performance on samples with different size, anatomy and complexity. Finally, in vivo real-time high dynamic range imaging is also demonstrated, making the technique particularly relevant for longitudinal imaging in the presence of physiological motion and/or for quantification of in vivo fast tracer kinetics during functional imaging. PMID:27032979

Generalised optical differentiation wavefront sensor: a sensitive high dynamic range wavefront sensor.

PubMed

Haffert, S Y

2016-08-22

Current wavefront sensors for high resolution imaging have either a large dynamic range or a high sensitivity. A new kind of wavefront sensor is developed which can have both: the Generalised Optical Differentiation wavefront sensor. This new wavefront sensor is based on the principles of optical differentiation by amplitude filters. We have extended the theory behind linear optical differentiation and generalised it to nonlinear filters. We used numerical simulations and laboratory experiments to investigate the properties of the generalised wavefront sensor. With this we created a new filter that can decouple the dynamic range from the sensitivity. These properties make it suitable for adaptive optic systems where a large range of phase aberrations have to be measured with high precision.

Random walks of colloidal probes in viscoelastic materials

NASA Astrophysics Data System (ADS)

Khan, Manas; Mason, Thomas G.

2014-04-01

To overcome limitations of using a single fixed time step in random walk simulations, such as those that rely on the classic Wiener approach, we have developed an algorithm for exploring random walks based on random temporal steps that are uniformly distributed in logarithmic time. This improvement enables us to generate random-walk trajectories of probe particles that span a highly extended dynamic range in time, thereby facilitating the exploration of probe motion in soft viscoelastic materials. By combining this faster approach with a Maxwell-Voigt model (MVM) of linear viscoelasticity, based on a slowly diffusing harmonically bound Brownian particle, we rapidly create trajectories of spherical probes in soft viscoelastic materials over more than 12 orders of magnitude in time. Appropriate windowing of these trajectories over different time intervals demonstrates that random walk for the MVM is neither self-similar nor self-affine, even if the viscoelastic material is isotropic. We extend this approach to spatially anisotropic viscoelastic materials, using binning to calculate the anisotropic mean square displacements and creep compliances along different orthogonal directions. The elimination of a fixed time step in simulations of random processes, including random walks, opens up interesting possibilities for modeling dynamics and response over a highly extended temporal dynamic range.

Long-range correlations improve understanding of the influence of network structure on contact dynamics.

PubMed

Peyrard, N; Dieckmann, U; Franc, A

2008-05-01

Models of infectious diseases are characterized by a phase transition between extinction and persistence. A challenge in contemporary epidemiology is to understand how the geometry of a host's interaction network influences disease dynamics close to the critical point of such a transition. Here we address this challenge with the help of moment closures. Traditional moment closures, however, do not provide satisfactory predictions close to such critical points. We therefore introduce a new method for incorporating longer-range correlations into existing closures. Our method is technically simple, remains computationally tractable and significantly improves the approximation's performance. Our extended closures thus provide an innovative tool for quantifying the influence of interaction networks on spatially or socially structured disease dynamics. In particular, we examine the effects of a network's clustering coefficient, as well as of new geometrical measures, such as a network's square clustering coefficients. We compare the relative performance of different closures from the literature, with or without our long-range extension. In this way, we demonstrate that the normalized version of the Bethe approximation-extended to incorporate long-range correlations according to our method-is an especially good candidate for studying influences of network structure. Our numerical results highlight the importance of the clustering coefficient and the square clustering coefficient for predicting disease dynamics at low and intermediate values of transmission rate, and demonstrate the significance of path redundancy for disease persistence.

Cobotic architecture for prosthetics.

PubMed

Faulring, Eeic L; Colgate, J Edward; Peshkin, Michael A

2006-01-01

We envision cobotic infinitely-variable transmissions (IVTs) as an enabling technology for haptics and prosthetics that will allow for increases in the dynamic range of these devices while simultaneously permitting reductions in actuator size and power requirements. Use of cobotic IVTs eliminates the need to make compromises on output flow and effort, which are inherent to choosing a fixed transmission ratio drivetrain. The result is a mechanism with enhanced dynamic range that extends continuously from a completely clutched state to a highly backdrivable state. This high dynamic range allows cobotic devices to control impedance with a high level of fidelity. In this paper, we discuss these and other motivations for using parallel cobotic transmission architecture in prosthetic devices.

Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

PubMed

Wallace, Jason A; Shen, Jana K

2012-11-14

Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pK(a) values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future.

Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH

PubMed Central

Wallace, Jason A.; Shen, Jana K.

2012-01-01

Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pKa values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future. PMID:23163362

Optically transduced MEMS magnetometer

DOEpatents

Nielson, Gregory N; Langlois, Eric

2014-03-18

MEMS magnetometers with optically transduced resonator displacement are described herein. Improved sensitivity, crosstalk reduction, and extended dynamic range may be achieved with devices including a deflectable resonator suspended from the support, a first grating extending from the support and disposed over the resonator, a pair of drive electrodes to drive an alternating current through the resonator, and a second grating in the resonator overlapping the first grating to form a multi-layer grating having apertures that vary dimensionally in response to deflection occurring as the resonator mechanically resonates in a plane parallel to the first grating in the presence of a magnetic field as a function of the Lorentz force resulting from the alternating current. A plurality of such multi-layer gratings may be disposed across a length of the resonator to provide greater dynamic range and/or accommodate fabrication tolerances.

Radiometric calibration method for large aperture infrared system with broad dynamic range.

PubMed

Sun, Zhiyuan; Chang, Songtao; Zhu, Wei

2015-05-20

Infrared radiometric measurements can acquire important data for missile defense systems. When observation is carried out by ground-based infrared systems, a missile is characterized by long distance, small size, and large variation of radiance. Therefore, the infrared systems should be manufactured with a larger aperture to enhance detection ability and calibrated at a broader dynamic range to extend measurable radiance. Nevertheless, the frequently used calibration methods demand an extended-area blackbody with broad dynamic range or a huge collimator for filling the system's field stop, which would greatly increase manufacturing costs and difficulties. To overcome this restriction, a calibration method based on amendment of inner and outer calibration is proposed. First, the principles and procedures of this method are introduced. Then, a shifting strategy of infrared systems for measuring targets with large fluctuations of infrared radiance is put forward. Finally, several experiments are performed on a shortwave infrared system with Φ400  mm aperture. The results indicate that the proposed method cannot only ensure accuracy of calibration but have the advantage of low cost, low power, and high motility. Hence, it is an effective radiometric calibration method in the outfield.

A technique for extending by ~10 3 the dynamic range of compact proton spectrometers for diagnosing ICF implosions on the National Ignition Facility and OMEGA a)

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

Sio, H.; Séguin, F. H.; Frenje, J. A.

Wedge Range Filter (WRF) proton spectrometers are routinely used on OMEGA and the NIF for diagnosing ρR and ρR asymmetries in direct- and indirect-drive implosions of D 3He-, D 2-, and DT-gas-filled capsules. By measuring the optical opacity distribution in CR-39 due to proton tracks in high-yield applications, as opposed to counting individual tracks, WRF dynamic range can be extended by 10 2 for obtaining the spectral shape, and by 10 3 for mean energy (ρR) measurement, corresponding to proton fluences of 10 8 and 10 9 cm -2, respectively. Finally, using this new technique, ρR asymmetries can be measuredmore » during both shock and compression burn (proton yield ~10 8 and ~10 12, respectively) in 2-shock National Ignition Facility implosions with the standard WRF accuracy of ±~10 mg/cm 2.« less

Dynamic Restarting Schemes for Eigenvalue Problems

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

Wu, Kesheng; Simon, Horst D.

1999-03-10

In studies of restarted Davidson method, a dynamic thick-restart scheme was found to be excellent in improving the overall effectiveness of the eigen value method. This paper extends the study of the dynamic thick-restart scheme to the Lanczos method for symmetric eigen value problems and systematically explore a range of heuristics and strategies. We conduct a series of numerical tests to determine their relative strength and weakness on a class of electronic structure calculation problems.

Performance Optimization Design for a High-Speed Weak FBG Interrogation System Based on DFB Laser.

PubMed

Yao, Yiqiang; Li, Zhengying; Wang, Yiming; Liu, Siqi; Dai, Yutang; Gong, Jianmin; Wang, Lixin

2017-06-22

A performance optimization design for a high-speed fiber Bragg grating (FBG) interrogation system based on a high-speed distributed feedback (DFB) swept laser is proposed. A time-division-multiplexing sensor network with identical weak FBGs is constituted to realize high-capacity sensing. In order to further improve the multiplexing capacity, a waveform repairing algorithm is designed to extend the dynamic demodulation range of FBG sensors. It is based on the fact that the spectrum of an FBG keeps stable over a long period of time. Compared with the pre-collected spectra, the distorted spectra waveform are identified and repaired. Experimental results show that all the identical weak FBGs are distinguished and demodulated at the speed of 100 kHz with a linearity of above 0.99, and the range of dynamic demodulation is extended by 40%.

Performance Optimization Design for a High-Speed Weak FBG Interrogation System Based on DFB Laser

PubMed Central

Yao, Yiqiang; Li, Zhengying; Wang, Yiming; Liu, Siqi; Dai, Yutang; Gong, Jianmin; Wang, Lixin

2017-01-01

A performance optimization design for a high-speed fiber Bragg grating (FBG) interrogation system based on a high-speed distributed feedback (DFB) swept laser is proposed. A time-division-multiplexing sensor network with identical weak FBGs is constituted to realize high-capacity sensing. In order to further improve the multiplexing capacity, a waveform repairing algorithm is designed to extend the dynamic demodulation range of FBG sensors. It is based on the fact that the spectrum of an FBG keeps stable over a long period of time. Compared with the pre-collected spectra, the distorted spectra waveform are identified and repaired. Experimental results show that all the identical weak FBGs are distinguished and demodulated at the speed of 100 kHz with a linearity of above 0.99, and the range of dynamic demodulation is extended by 40%. PMID:28640187

Preliminary assessment of species richness and avian community dynamics in the Madrean Sky Islands, Arizona

Treesearch

Jamie S. Sanderlin; William M. Block; Joseph L. Ganey; Jose M. Iniguez

2013-01-01

The Sky Island mountain ranges of southeastern Arizona contain a unique and rich avifaunal community, including many Neotropical migratory species whose northern breeding range extends to these mountains along with many species typical of similar habitats throughout western North America. Understanding ecological factors that influence species richness and biological...

Complex regression Doppler optical coherence tomography

NASA Astrophysics Data System (ADS)

Elahi, Sahar; Gu, Shi; Thrane, Lars; Rollins, Andrew M.; Jenkins, Michael W.

2018-04-01

We introduce a new method to measure Doppler shifts more accurately and extend the dynamic range of Doppler optical coherence tomography (OCT). The two-point estimate of the conventional Doppler method is replaced with a regression that is applied to high-density B-scans in polar coordinates. We built a high-speed OCT system using a 1.68-MHz Fourier domain mode locked laser to acquire high-density B-scans (16,000 A-lines) at high enough frame rates (˜100 fps) to accurately capture the dynamics of the beating embryonic heart. Flow phantom experiments confirm that the complex regression lowers the minimum detectable velocity from 12.25 mm / s to 374 μm / s, whereas the maximum velocity of 400 mm / s is measured without phase wrapping. Complex regression Doppler OCT also demonstrates higher accuracy and precision compared with the conventional method, particularly when signal-to-noise ratio is low. The extended dynamic range allows monitoring of blood flow over several stages of development in embryos without adjusting the imaging parameters. In addition, applying complex averaging recovers hidden features in structural images.

Self-Induced Switchings between Multiple Space-Time Patterns on Complex Networks of Excitable Units

NASA Astrophysics Data System (ADS)

Ansmann, Gerrit; Lehnertz, Klaus; Feudel, Ulrike

2016-01-01

We report on self-induced switchings between multiple distinct space-time patterns in the dynamics of a spatially extended excitable system. These switchings between low-amplitude oscillations, nonlinear waves, and extreme events strongly resemble a random process, although the system is deterministic. We show that a chaotic saddle—which contains all the patterns as well as channel-like structures that mediate the transitions between them—is the backbone of such a pattern-switching dynamics. Our analyses indicate that essential ingredients for the observed phenomena are that the system behaves like an inhomogeneous oscillatory medium that is capable of self-generating spatially localized excitations and that is dominated by short-range connections but also features long-range connections. With our findings, we present an alternative to the well-known ways to obtain self-induced pattern switching, namely, noise-induced attractor hopping, heteroclinic orbits, and adaptation to an external signal. This alternative way can be expected to improve our understanding of pattern switchings in spatially extended natural dynamical systems like the brain and the heart.

Extending and expanding the Darwinian synthesis: the role of complex systems dynamics.

PubMed

Weber, Bruce H

2011-03-01

Darwinism is defined here as an evolving research tradition based upon the concepts of natural selection acting upon heritable variation articulated via background assumptions about systems dynamics. Darwin's theory of evolution was developed within a context of the background assumptions of Newtonian systems dynamics. The Modern Evolutionary Synthesis, or neo-Darwinism, successfully joined Darwinian selection and Mendelian genetics by developing population genetics informed by background assumptions of Boltzmannian systems dynamics. Currently the Darwinian Research Tradition is changing as it incorporates new information and ideas from molecular biology, paleontology, developmental biology, and systems ecology. This putative expanded and extended synthesis is most perspicuously deployed using background assumptions from complex systems dynamics. Such attempts seek to not only broaden the range of phenomena encompassed by the Darwinian Research Tradition, such as neutral molecular evolution, punctuated equilibrium, as well as developmental biology, and systems ecology more generally, but to also address issues of the emergence of evolutionary novelties as well as of life itself. Copyright © 2010 Elsevier Ltd. All rights reserved.

Observation of Dipolar Spin-Exchange Interactions with Polar Molecules in a Lattice

DTIC Science & Technology

2013-01-01

extend beyond nearest neighbours. This allows coherent spin dynamics to persist even for gases with relatively high entropy and low lattice filling...dynamics to persist even for gases with relatively high entropy and low lat- tice filling. While measured effects of dipolar interactions in ultracold...limits superexchange to nearest-neighbor interactions and requires extremely low temperature and entropy . In contrast, long-range dipolar

Dynamic principle for ensemble control tools.

PubMed

Samoletov, A; Vasiev, B

2017-11-28

Dynamical equations describing physical systems in contact with a thermal bath are commonly extended by mathematical tools called "thermostats." These tools are designed for sampling ensembles in statistical mechanics. Here we propose a dynamic principle underlying a range of thermostats which is derived using fundamental laws of statistical physics and ensures invariance of the canonical measure. The principle covers both stochastic and deterministic thermostat schemes. Our method has a clear advantage over a range of proposed and widely used thermostat schemes that are based on formal mathematical reasoning. Following the derivation of the proposed principle, we show its generality and illustrate its applications including design of temperature control tools that differ from the Nosé-Hoover-Langevin scheme.

Engineering Risk Assessment of Space Thruster Challenge Problem

NASA Technical Reports Server (NTRS)

Mathias, Donovan L.; Mattenberger, Christopher J.; Go, Susie

2014-01-01

The Engineering Risk Assessment (ERA) team at NASA Ames Research Center utilizes dynamic models with linked physics-of-failure analyses to produce quantitative risk assessments of space exploration missions. This paper applies the ERA approach to the baseline and extended versions of the PSAM Space Thruster Challenge Problem, which investigates mission risk for a deep space ion propulsion system with time-varying thruster requirements and operations schedules. The dynamic mission is modeled using a combination of discrete and continuous-time reliability elements within the commercially available GoldSim software. Loss-of-mission (LOM) probability results are generated via Monte Carlo sampling performed by the integrated model. Model convergence studies are presented to illustrate the sensitivity of integrated LOM results to the number of Monte Carlo trials. A deterministic risk model was also built for the three baseline and extended missions using the Ames Reliability Tool (ART), and results are compared to the simulation results to evaluate the relative importance of mission dynamics. The ART model did a reasonable job of matching the simulation models for the baseline case, while a hybrid approach using offline dynamic models was required for the extended missions. This study highlighted that state-of-the-art techniques can adequately adapt to a range of dynamic problems.

A technique for extending by ∼10{sup 3} the dynamic range of compact proton spectrometers for diagnosing ICF implosions on the National Ignition Facility and OMEGA

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

Sio, H., E-mail: hsio@mit.edu; Séguin, F. H.; Frenje, J. A.

Wedge Range Filter (WRF) proton spectrometers are routinely used on OMEGA and the NIF for diagnosing ρR and ρR asymmetries in direct- and indirect-drive implosions of D{sup 3}He-, D{sub 2}-, and DT-gas-filled capsules. By measuring the optical opacity distribution in CR-39 due to proton tracks in high-yield applications, as opposed to counting individual tracks, WRF dynamic range can be extended by 10{sup 2} for obtaining the spectral shape, and by 10{sup 3} for mean energy (ρR) measurement, corresponding to proton fluences of 10{sup 8} and 10{sup 9} cm{sup −2}, respectively. Using this new technique, ρR asymmetries can be measured duringmore » both shock and compression burn (proton yield ∼10{sup 8} and ∼10{sup 12}, respectively) in 2-shock National Ignition Facility implosions with the standard WRF accuracy of ±∼10 mg/cm{sup 2}.« less

Extended radio emission and the nature of blazars

NASA Astrophysics Data System (ADS)

Antonucci, R. R. J.; Ulvestad, J. S.

1985-07-01

The VLA has been used at 20 cm to map all 23 of the 54 confirmed blazars listed in the Angel and Stockman review paper that had not been mapped before at high resolution. In addition, data on most of the previously mapped blazars have been reprocessed in order to achieve higher dynamic range. Extended emission has been detected associated with 49 of the 54 objects. The extended radio emission has been used to test the hypothesis that blazars are normal radio galaxies and radio quasars viewed along the jet axes. It is found that blazars have substantial extended power, consistent with this hypothesis. The ratio of core to extended radio emission has been studied as a possible indicator of viewing aspect or beaming intensity.

Non-Linear Dynamics and Emergence in Laboratory Fusion Plasmas

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

Hnat, B.

2011-09-22

Turbulent behaviour of laboratory fusion plasma system is modelled using extended Hasegawa-Wakatani equations. The model is solved numerically using finite difference techniques. We discuss non-linear effects in such a system in the presence of the micro-instabilities, specifically a drift wave instability. We explore particle dynamics in different range of parameters and show that the transport changes from diffusive to non-diffusive when large directional flows are developed.

Error sensitivity analysis in 10-30-day extended range forecasting by using a nonlinear cross-prediction error model

NASA Astrophysics Data System (ADS)

Xia, Zhiye; Xu, Lisheng; Chen, Hongbin; Wang, Yongqian; Liu, Jinbao; Feng, Wenlan

2017-06-01

Extended range forecasting of 10-30 days, which lies between medium-term and climate prediction in terms of timescale, plays a significant role in decision-making processes for the prevention and mitigation of disastrous meteorological events. The sensitivity of initial error, model parameter error, and random error in a nonlinear crossprediction error (NCPE) model, and their stability in the prediction validity period in 10-30-day extended range forecasting, are analyzed quantitatively. The associated sensitivity of precipitable water, temperature, and geopotential height during cases of heavy rain and hurricane is also discussed. The results are summarized as follows. First, the initial error and random error interact. When the ratio of random error to initial error is small (10-6-10-2), minor variation in random error cannot significantly change the dynamic features of a chaotic system, and therefore random error has minimal effect on the prediction. When the ratio is in the range of 10-1-2 (i.e., random error dominates), attention should be paid to the random error instead of only the initial error. When the ratio is around 10-2-10-1, both influences must be considered. Their mutual effects may bring considerable uncertainty to extended range forecasting, and de-noising is therefore necessary. Second, in terms of model parameter error, the embedding dimension m should be determined by the factual nonlinear time series. The dynamic features of a chaotic system cannot be depicted because of the incomplete structure of the attractor when m is small. When m is large, prediction indicators can vanish because of the scarcity of phase points in phase space. A method for overcoming the cut-off effect ( m > 4) is proposed. Third, for heavy rains, precipitable water is more sensitive to the prediction validity period than temperature or geopotential height; however, for hurricanes, geopotential height is most sensitive, followed by precipitable water.

Charactrisation of particle assemblies by 3D cross correlation light scattering and diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Scheffold, Frank

2014-08-01

To characterize the structural and dynamic properties of soft materials and small particles, information on the relevant mesoscopic length scales is required. Such information is often obtained from traditional static and dynamic light scattering (SLS/DLS) experiments in the single scattering regime. In many dense systems, however, these powerful techniques frequently fail due to strong multiple scattering of light. Here I will discuss some experimental innovations that have emerged over the last decade. New methods such as 3D static and dynamic light scattering (3D LS) as well as diffusing wave spectroscopy (DWS) can cover a much extended range of experimental parameters ranging from dilute polymer solutions, colloidal suspensions to extremely opaque viscoelastic emulsions.

Technique for extending the range of a signal measuring circuit

DOEpatents

Chaprnka, Anthony G.; Sun, Shan C.; Vercellotti, Leonard C.

1978-01-01

An input signal supplied to a signal measuring circuit is either amplified or attenuated as necessary to establish the magnitude of the input signal within the defined dynamic range of the measuring circuit and the output signal developed by the measuring circuit is subsequently readjusted through amplification or attenuation to develop an output signal which corresponds to the magnitude of the initial input signal.

Dynamic Gesture Recognition with a Terahertz Radar Based on Range Profile Sequences and Doppler Signatures

PubMed Central

Pi, Yiming

2017-01-01

The frequency of terahertz radar ranges from 0.1 THz to 10 THz, which is higher than that of microwaves. Multi-modal signals, including high-resolution range profile (HRRP) and Doppler signatures, can be acquired by the terahertz radar system. These two kinds of information are commonly used in automatic target recognition; however, dynamic gesture recognition is rarely discussed in the terahertz regime. In this paper, a dynamic gesture recognition system using a terahertz radar is proposed, based on multi-modal signals. The HRRP sequences and Doppler signatures were first achieved from the radar echoes. Considering the electromagnetic scattering characteristics, a feature extraction model is designed using location parameter estimation of scattering centers. Dynamic Time Warping (DTW) extended to multi-modal signals is used to accomplish the classifications. Ten types of gesture signals, collected from a terahertz radar, are applied to validate the analysis and the recognition system. The results of the experiment indicate that the recognition rate reaches more than 91%. This research verifies the potential applications of dynamic gesture recognition using a terahertz radar. PMID:29267249

Dynamic Gesture Recognition with a Terahertz Radar Based on Range Profile Sequences and Doppler Signatures.

PubMed

Zhou, Zhi; Cao, Zongjie; Pi, Yiming

2017-12-21

The frequency of terahertz radar ranges from 0.1 THz to 10 THz, which is higher than that of microwaves. Multi-modal signals, including high-resolution range profile (HRRP) and Doppler signatures, can be acquired by the terahertz radar system. These two kinds of information are commonly used in automatic target recognition; however, dynamic gesture recognition is rarely discussed in the terahertz regime. In this paper, a dynamic gesture recognition system using a terahertz radar is proposed, based on multi-modal signals. The HRRP sequences and Doppler signatures were first achieved from the radar echoes. Considering the electromagnetic scattering characteristics, a feature extraction model is designed using location parameter estimation of scattering centers. Dynamic Time Warping (DTW) extended to multi-modal signals is used to accomplish the classifications. Ten types of gesture signals, collected from a terahertz radar, are applied to validate the analysis and the recognition system. The results of the experiment indicate that the recognition rate reaches more than 91%. This research verifies the potential applications of dynamic gesture recognition using a terahertz radar.

A high sensitive 66 dB linear dynamic range receiver for 3-D laser radar

NASA Astrophysics Data System (ADS)

Ma, Rui; Zheng, Hao; Zhu, Zhangming

2017-08-01

This study presents a CMOS receiver chip realized in 0.18 μm standard CMOS technology and intended for high precision 3-D laser radar. The chip includes an adjustable gain transimpedance pre-amplifier, a post-amplifier and two timing comparators. An additional feedback is employed in the regulated cascode transimpedance amplifier to decrease the input impedance, and a variable gain transimpedance amplifier controlled by digital switches and analog multiplexer is utilized to realize four gain modes, extending the input dynamic range. The measurement shows that the highest transimpedance of the channel is 50 k {{Ω }}, the uncompensated walk error is 1.44 ns in a wide linear dynamic range of 66 dB (1:2000), and the input referred noise current is 2.3 pA/\\sqrt{{Hz}} (rms), resulting in a very low detectable input current of 1 μA with SNR = 5.

Multi-sensor measurements of mixed-phase clouds above Greenland

NASA Astrophysics Data System (ADS)

Stillwell, Robert A.; Shupe, Matthew D.; Thayer, Jeffrey P.; Neely, Ryan R.; Turner, David D.

2018-04-01

Liquid-only and mixed-phase clouds in the Arctic strongly affect the regional surface energy and ice mass budgets, yet much remains unknown about the nature of these clouds due to the lack of intensive measurements. Lidar measurements of these clouds are challenged by very large signal dynamic range, which makes even seemingly simple tasks, such as thermodynamic phase classification, difficult. This work focuses on a set of measurements made by the Clouds Aerosol Polarization and Backscatter Lidar at Summit, Greenland and its retrieval algorithms, which use both analog and photon counting as well as orthogonal and non-orthogonal polarization retrievals to extend dynamic range and improve overall measurement quality and quantity. Presented here is an algorithm for cloud parameter retrievals that leverages enhanced dynamic range retrievals to classify mixed-phase clouds. This best guess retrieval is compared to co-located instruments for validation.

Deconvolution of azimuthal mode detection measurements

NASA Astrophysics Data System (ADS)

Sijtsma, Pieter; Brouwer, Harry

2018-05-01

Unequally spaced transducer rings make it possible to extend the range of detectable azimuthal modes. The disadvantage is that the response of the mode detection algorithm to a single mode is distributed over all detectable modes, similarly to the Point Spread Function of Conventional Beamforming with microphone arrays. With multiple modes the response patterns interfere, leading to a relatively high "noise floor" of spurious modes in the detected mode spectrum, in other words, to a low dynamic range. In this paper a deconvolution strategy is proposed for increasing this dynamic range. It starts with separating the measured sound into shaft tones and broadband noise. For broadband noise modes, a standard Non-Negative Least Squares solver appeared to be a perfect deconvolution tool. For shaft tones a Matching Pursuit approach is proposed, taking advantage of the sparsity of dominant modes. The deconvolution methods were applied to mode detection measurements in a fan rig. An increase in dynamic range of typically 10-15 dB was found.

Extending a Lippmann style seismometer's dynamic range by using a non-linear feedback circuit

NASA Astrophysics Data System (ADS)

Romeo, Giovanni; Spinelli, Giuseppe

2013-04-01

A Lippmann style seismometer uses a single-coil velocity-feedback method in order to extend toward lower frequencies a geophone's frequency response. Strong seismic signals may saturate the electronics, sometimes producing a characteristic whale-shaped recording. Adding a non linear feedback in the electronic circuit may avoid saturation, allowing the strong-motion use of the seismometer without affecting the usual performance. We show results from both simulations and experiments, using a Teledyne Geotech s13 as a mechanical part.

Microspatial ecotone dynamics at a shifting range limit: plant–soil variation across salt marsh–mangrove interfaces

USGS Publications Warehouse

Yando, Erik S.; Osland, Michael J.; Hester, Mark H.

2018-01-01

Ecotone dynamics and shifting range limits can be used to advance our understanding of the ecological implications of future range expansions in response to climate change. In the northern Gulf of Mexico, the salt marsh–mangrove ecotone is an area where range limits and ecotone dynamics can be studied in tandem as recent decreases in winter temperature extremes have allowed for mangrove expansion at the expense of salt marsh. In this study, we assessed aboveground and belowground plant–soil dynamics across the salt marsh–mangrove ecotone quantifying micro-spatial patterns in horizontal extent. Specifically, we studied vegetation and rooting dynamics of large and small trees, the impact of salt marshes (e.g. species and structure) on mangroves, and the influence of vegetation on soil properties along transects from underneath the mangrove canopy into the surrounding salt marsh. Vegetation and rooting dynamics differed in horizontal reach, and there was a positive relationship between mangrove tree height and rooting extent. We found that the horizontal expansion of mangrove roots into salt marsh extended up to eight meters beyond the aboveground boundary. Variation in vegetation structure and local hydrology appear to control mangrove seedling dynamics. Finally, soil carbon density and organic matter did not differ within locations across the salt marsh-mangrove interface. By studying aboveground and belowground variation across the ecotone, we can better predict the ecological effects of continued range expansion in response to climate change.

Microspatial ecotone dynamics at a shifting range limit: plant-soil variation across salt marsh-mangrove interfaces.

PubMed

Yando, E S; Osland, M J; Hester, M W

2018-05-01

Ecotone dynamics and shifting range limits can be used to advance our understanding of the ecological implications of future range expansions in response to climate change. In the northern Gulf of Mexico, the salt marsh-mangrove ecotone is an area where range limits and ecotone dynamics can be studied in tandem as recent decreases in winter temperature extremes have allowed for mangrove expansion at the expense of salt marsh. In this study, we assessed aboveground and belowground plant-soil dynamics across the salt marsh-mangrove ecotone quantifying micro-spatial patterns in horizontal extent. Specifically, we studied vegetation and rooting dynamics of large and small trees, the impact of salt marshes (e.g. species and structure) on mangroves, and the influence of vegetation on soil properties along transects from underneath the mangrove canopy into the surrounding salt marsh. Vegetation and rooting dynamics differed in horizontal reach, and there was a positive relationship between mangrove tree height and rooting extent. We found that the horizontal expansion of mangrove roots into salt marsh extended up to eight meters beyond the aboveground boundary. Variation in vegetation structure and local hydrology appear to control mangrove seedling dynamics. Finally, soil carbon density and organic matter did not differ within locations across the salt marsh-mangrove interface. By studying aboveground and belowground variation across the ecotone, we can better predict the ecological effects of continued range expansion in response to climate change.

ATMOSPHERIC DYNAMICS OF TERRESTRIAL EXOPLANETS OVER A WIDE RANGE OF ORBITAL AND ATMOSPHERIC PARAMETERS

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

Kaspi, Yohai; Showman, Adam P., E-mail: yohai.kaspi@weizmann.ac.il

The recent discoveries of terrestrial exoplanets and super-Earths extending over a broad range of orbital and physical parameters suggest that these planets will span a wide range of climatic regimes. Characterization of the atmospheres of warm super-Earths has already begun and will be extended to smaller and more distant planets over the coming decade. The habitability of these worlds may be strongly affected by their three-dimensional atmospheric circulation regimes, since the global climate feedbacks that control the inner and outer edges of the habitable zone—including transitions to Snowball-like states and runaway-greenhouse feedbacks—depend on the equator-to-pole temperature differences, patterns of relativemore » humidity, and other aspects of the dynamics. Here, using an idealized moist atmospheric general circulation model including a hydrological cycle, we study the dynamical principles governing the atmospheric dynamics on such planets. We show how the planetary rotation rate, stellar flux, atmospheric mass, surface gravity, optical thickness, and planetary radius affect the atmospheric circulation and temperature distribution on such planets. Our simulations demonstrate that equator-to-pole temperature differences, meridional heat transport rates, structure and strength of the winds, and the hydrological cycle vary strongly with these parameters, implying that the sensitivity of the planet to global climate feedbacks will depend significantly on the atmospheric circulation. We elucidate the possible climatic regimes and diagnose the mechanisms controlling the formation of atmospheric jet streams, Hadley and Ferrel cells, and latitudinal temperature differences. Finally, we discuss the implications for understanding how the atmospheric circulation influences the global climate.« less

HEVC for high dynamic range services

NASA Astrophysics Data System (ADS)

Kim, Seung-Hwan; Zhao, Jie; Misra, Kiran; Segall, Andrew

2015-09-01

Displays capable of showing a greater range of luminance values can render content containing high dynamic range information in a way such that the viewers have a more immersive experience. This paper introduces the design aspects of a high dynamic range (HDR) system, and examines the performance of the HDR processing chain in terms of compression efficiency. Specifically it examines the relation between recently introduced Society of Motion Picture and Television Engineers (SMPTE) ST 2084 transfer function and the High Efficiency Video Coding (HEVC) standard. SMPTE ST 2084 is designed to cover the full range of an HDR signal from 0 to 10,000 nits, however in many situations the valid signal range of actual video might be smaller than SMPTE ST 2084 supported range. The above restricted signal range results in restricted range of code values for input video data and adversely impacts compression efficiency. In this paper, we propose a code value remapping method that extends the restricted range code values into the full range code values so that the existing standards such as HEVC may better compress the video content. The paper also identifies related non-normative encoder-only changes that are required for remapping method for a fair comparison with anchor. Results are presented comparing the efficiency of the current approach versus the proposed remapping method for HM-16.2.

Functional importance of short-range binding and long-range solvent interactions in helical antifreeze peptides.

PubMed

Ebbinghaus, Simon; Meister, Konrad; Prigozhin, Maxim B; Devries, Arthur L; Havenith, Martina; Dzubiella, Joachim; Gruebele, Martin

2012-07-18

Short-range ice binding and long-range solvent perturbation both have been implicated in the activity of antifreeze proteins and antifreeze glycoproteins. We study these two mechanisms for activity of winter flounder antifreeze peptide. Four mutants are characterized by freezing point hysteresis (activity), circular dichroism (secondary structure), Förster resonance energy transfer (end-to-end rigidity), molecular dynamics simulation (structure), and terahertz spectroscopy (long-range solvent perturbation). Our results show that the short-range model is sufficient to explain the activity of our mutants, but the long-range model provides a necessary condition for activity: the most active peptides in our data set all have an extended dynamical hydration shell. It appears that antifreeze proteins and antifreeze glycoproteins have reached different evolutionary solutions to the antifreeze problem, utilizing either a few precisely positioned OH groups or a large quantity of OH groups for ice binding, assisted by long-range solvent perturbation. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Extending the Community Multiscale Air Quality (CMAQ) Modeling System to Hemispheric Scales: Overview of Process Considerations and Initial Applications

PubMed Central

Mathur, Rohit; Xing, Jia; Gilliam, Robert; Sarwar, Golam; Hogrefe, Christian; Pleim, Jonathan; Pouliot, George; Roselle, Shawn; Spero, Tanya L.; Wong, David C.; Young, Jeffrey

2018-01-01

The Community Multiscale Air Quality (CMAQ) modeling system is extended to simulate ozone, particulate matter, and related precursor distributions throughout the Northern Hemisphere. Modelled processes were examined and enhanced to suitably represent the extended space and time scales for such applications. Hemispheric scale simulations with CMAQ and the Weather Research and Forecasting (WRF) model are performed for multiple years. Model capabilities for a range of applications including episodic long-range pollutant transport, long-term trends in air pollution across the Northern Hemisphere, and air pollution-climate interactions are evaluated through detailed comparison with available surface, aloft, and remotely sensed observations. The expansion of CMAQ to simulate the hemispheric scales provides a framework to examine interactions between atmospheric processes occurring at various spatial and temporal scales with physical, chemical, and dynamical consistency. PMID:29681922

Finite Element Model Development and Validation for Aircraft Fuselage Structures

NASA Technical Reports Server (NTRS)

Buehrle, Ralph D.; Fleming, Gary A.; Pappa, Richard S.; Grosveld, Ferdinand W.

2000-01-01

The ability to extend the valid frequency range for finite element based structural dynamic predictions using detailed models of the structural components and attachment interfaces is examined for several stiffened aircraft fuselage structures. This extended dynamic prediction capability is needed for the integration of mid-frequency noise control technology. Beam, plate and solid element models of the stiffener components are evaluated. Attachment models between the stiffener and panel skin range from a line along the rivets of the physical structure to a constraint over the entire contact surface. The finite element models are validated using experimental modal analysis results. The increased frequency range results in a corresponding increase in the number of modes, modal density and spatial resolution requirements. In this study, conventional modal tests using accelerometers are complemented with Scanning Laser Doppler Velocimetry and Electro-Optic Holography measurements to further resolve the spatial response characteristics. Whenever possible, component and subassembly modal tests are used to validate the finite element models at lower levels of assembly. Normal mode predictions for different finite element representations of components and assemblies are compared with experimental results to assess the most accurate techniques for modeling aircraft fuselage type structures.

A dynamic pressure source for the calibration of pressure transducers

NASA Technical Reports Server (NTRS)

Vezzetti, C. F.; Hilten, J. S.; Mayo-Wells, J. F.; Lederer, P. S.

1976-01-01

A dynamic pressure source is described for producing sinusoidally varying pressures of up to 34 kPa zero to peak, over the frequency range of approximately 50 Hz to 2 kHz. The source is intended for the dynamic calibration of pressure transducers. The transducer to be calibrated is mounted near the base of the thick walled aluminum tube forming the vessel so that the pressure sensitive element is in contact with the liquid in the tube. A section of the tube is filled with small steel balls to damp the motion of the 10-St dimethyl siloxane working fluid in order to extend the useful frquency range to higher frequencies than would be provided by an undamped system. The dynamic response of six transducers provided by the sponsor was evaluated using the pressure sources; the results of these calibrations are given.

Dynamically Reconfigurable Systolic Array Accelorators

NASA Technical Reports Server (NTRS)

Dasu, Aravind (Inventor); Barnes, Robert C. (Inventor)

2014-01-01

A polymorphic systolic array framework that works in conjunction with an embedded microprocessor on an FPGA, that allows for dynamic and complimentary scaling of acceleration levels of two algorithms active concurrently on the FPGA. Use is made of systolic arrays and hardware-software co-design to obtain an efficient multi-application acceleration system. The flexible and simple framework allows hosting of a broader range of algorithms and extendable to more complex applications in the area of aerospace embedded systems.

Interfacial mixing in high energy-density matter with a multiphysics kinetic model

NASA Astrophysics Data System (ADS)

Haack, Jeff; Hauck, Cory; Murillo, Michael

2017-10-01

We have extended a recently-developed multispecies, multitemperature BGK model to include multiphysics capability that allows modeling of a wider range of plasma conditions. In particular, we have extended the model to describe one spatial dimension, and included a multispecies atomic ionization model, accurate collision physics across coupling regimes, self-consistent electric fields, and degeneracy in the electronic screening. We apply the new model to a warm dense matter scenario in which the ablator-fuel interface of an inertial confinement fusion target is heated, similar to a recent molecular dynamics study, but for larger length and time scales and for much higher temperatures. From our numerical results we are able to explore a variety of phenomena, including hydrogen jetting, kinetic effects (non-Maxwellian and anisotropic distributions), plasma physics (size, persistence and role of electric fields) and transport (relative sizes of Fickean diffision, electrodiffusion and barodiffusion). As compared with the recent molecular dynamics work the kinetic model greatly extends the accessible physical domains we are able to model.

Phase-slope and phase measurements of tunable CW-THz radiation with terahertz comb for wide-dynamic-range, high-resolution, distance measurement of optically rough object.

PubMed

Yasui, Takeshi; Fujio, Makoto; Yokoyama, Shuko; Araki, Tsutomu

2014-07-14

Phase measurement of continuous-wave terahertz (CW-THz) radiation is a potential tool for direct distance and imaging measurement of optically rough objects due to its high robustness to optical rough surfaces. However, the 2π phase ambiguity in the phase measurement of single-frequency CW-THz radiation limits the dynamic range of the measured distance to the order of the wavelength used. In this article, phase-slope measurement of tunable CW-THz radiation with a THz frequency comb was effectively used to extend the dynamic range up to 1.834 m while maintaining an error of a few tens µm in the distance measurement of an optically rough object. Furthermore, a combination of phase-slope measurement of tunable CW-THz radiation and phase measurement of single-frequency CW-THz radiation enhanced the distance error to a few µm within the dynamic range of 1.834 m without any influence from the 2π phase ambiguity. The proposed method will be a powerful tool for the construction and maintenance of large-scale structures covered with optically rough surfaces.

High Dynamic Range Spectral Imaging Pipeline For Multispectral Filter Array Cameras.

PubMed

Lapray, Pierre-Jean; Thomas, Jean-Baptiste; Gouton, Pierre

2017-06-03

Spectral filter arrays imaging exhibits a strong similarity with color filter arrays. This permits us to embed this technology in practical vision systems with little adaptation of the existing solutions. In this communication, we define an imaging pipeline that permits high dynamic range (HDR)-spectral imaging, which is extended from color filter arrays. We propose an implementation of this pipeline on a prototype sensor and evaluate the quality of our implementation results on real data with objective metrics and visual examples. We demonstrate that we reduce noise, and, in particular we solve the problem of noise generated by the lack of energy balance. Data are provided to the community in an image database for further research.

When human walking becomes random walking: fractal analysis and modeling of gait rhythm fluctuations

NASA Astrophysics Data System (ADS)

Hausdorff, Jeffrey M.; Ashkenazy, Yosef; Peng, Chang-K.; Ivanov, Plamen Ch.; Stanley, H. Eugene; Goldberger, Ary L.

2001-12-01

We present a random walk, fractal analysis of the stride-to-stride fluctuations in the human gait rhythm. The gait of healthy young adults is scale-free with long-range correlations extending over hundreds of strides. This fractal scaling changes characteristically with maturation in children and older adults and becomes almost completely uncorrelated with certain neurologic diseases. Stochastic modeling of the gait rhythm dynamics, based on transitions between different “neural centers”, reproduces distinctive statistical properties of the gait pattern. By tuning one model parameter, the hopping (transition) range, the model can describe alterations in gait dynamics from childhood to adulthood - including a decrease in the correlation and volatility exponents with maturation.

Characteristics of endemic-level mountain pine beetle populations in south-central Wyoming

Treesearch

Dale L. Bartos; Richard F. Schmitz

1998-01-01

This study was conducted to evaluate the dynamics of endemic populations of mountain pine beetle (Dendroctonus ponderosae Hopkins). In addition, we extended the geographical range of an existing data base recorded in Utah with similar data from Wyoming. This work was accomplished in lodgepole pine (Pinus contorta Dougl. Var.

Nanoparticle-enhanced fluorescence emission for non-separation assays of carbohydrates using a boronic acid-alizarin complex.

PubMed

Li, Qianjin; Kamra, Tripta; Ye, Lei

2016-03-04

Addition of crosslinked polymer nanoparticles into a solution of a 3-nitrophenylboronic acid-alizarin complex leads to significant enhancement of fluorescence emission. Using the nanoparticle-enhanced boronic acid-alizarin system has improved greatly the sensitivity and extended the dynamic range of separation-free fluorescence assays for carbohydrates.

High resolution beam profiling of X-ray free electron laser radiation by polymer imprint development.

PubMed

Rösner, Benedikt; Döring, Florian; Ribič, Primož R; Gauthier, David; Principi, Emiliano; Masciovecchio, Claudio; Zangrando, Marco; Vila-Comamala, Joan; De Ninno, Giovanni; David, Christian

2017-11-27

High resolution metrology of beam profiles is presently a major challenge at X-ray free electron lasers. We demonstrate a characterization method based on beam imprints in poly (methyl methacrylate). By immersing the imprints formed at 47.8 eV into organic solvents, the regions exposed to the beam are removed similar to resist development in grayscale lithography. This allows for extending the sensitivity of the method by more than an order of magnitude compared to the established analysis of imprints created solely by ablation. Applying the Beer-Lambert law for absorption, the intensity distribution in a micron-sized focus can be reconstructed from one single shot with a high dynamic range, exceeding 10 3 . The procedure described here allows for beam characterization at free electron lasers revealing even faint beam tails, which are not accessible when using ablation imprint methods. We demonstrate the greatly extended dynamic range on developed imprints taken in focus of conventional Fresnel zone plates and spiral zone plates producing beams with a topological charge.

A research on radiation calibration of high dynamic range based on the dual channel CMOS

NASA Astrophysics Data System (ADS)

Ma, Kai; Shi, Zhan; Pan, Xiaodong; Wang, Yongsheng; Wang, Jianghua

2017-10-01

The dual channel complementary metal-oxide semiconductor (CMOS) can get high dynamic range (HDR) image through extending the gray level of the image by using image fusion with high gain channel image and low gain channel image in a same frame. In the process of image fusion with dual channel, it adopts the coefficients of radiation response of a pixel from dual channel in a same frame, and then calculates the gray level of the pixel in the HDR image. For the coefficients of radiation response play a crucial role in image fusion, it has to find an effective method to acquire these parameters. In this article, it makes a research on radiation calibration of high dynamic range based on the dual channel CMOS, and designs an experiment to calibrate the coefficients of radiation response for the sensor it used. In the end, it applies these response parameters in the dual channel CMOS which calibrates, and verifies the correctness and feasibility of the method mentioned in this paper.

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

Shanks, Katherine S.; Philipp, Hugh T.; Weiss, Joel T.

Experiments at storage ring light sources as well as at next-generation light sources increasingly require detectors capable of high dynamic range operation, combining low-noise detection of single photons with large pixel well depth. XFEL sources in particular provide pulse intensities sufficiently high that a purely photon-counting approach is impractical. The High Dynamic Range Pixel Array Detector (HDR-PAD) project aims to provide a dynamic range extending from single-photon sensitivity to 10{sup 6} photons/pixel in a single XFEL pulse while maintaining the ability to tolerate a sustained flux of 10{sup 11} ph/s/pixel at a storage ring source. Achieving these goals involves themore » development of fast pixel front-end electronics as well as, in the XFEL case, leveraging the delayed charge collection due to plasma effects in the sensor. A first prototype of essential electronic components of the HDR-PAD readout ASIC, exploring different options for the pixel front-end, has been fabricated. Here, the HDR-PAD concept and preliminary design will be described.« less

A CMOS image sensor with programmable pixel-level analog processing.

PubMed

Massari, Nicola; Gottardi, Massimo; Gonzo, Lorenzo; Stoppa, David; Simoni, Andrea

2005-11-01

A prototype of a 34 x 34 pixel image sensor, implementing real-time analog image processing, is presented. Edge detection, motion detection, image amplification, and dynamic-range boosting are executed at pixel level by means of a highly interconnected pixel architecture based on the absolute value of the difference among neighbor pixels. The analog operations are performed over a kernel of 3 x 3 pixels. The square pixel, consisting of 30 transistors, has a pitch of 35 microm with a fill-factor of 20%. The chip was fabricated in a 0.35 microm CMOS technology, and its power consumption is 6 mW with 3.3 V power supply. The device was fully characterized and achieves a dynamic range of 50 dB with a light power density of 150 nW/mm2 and a frame rate of 30 frame/s. The measured fixed pattern noise corresponds to 1.1% of the saturation level. The sensor's dynamic range can be extended up to 96 dB using the double-sampling technique.

Varying-energy CT imaging method based on EM-TV

NASA Astrophysics Data System (ADS)

Chen, Ping; Han, Yan

2016-11-01

For complicated structural components with wide x-ray attenuation ranges, conventional fixed-energy computed tomography (CT) imaging cannot obtain all the structural information. This limitation results in a shortage of CT information because the effective thickness of the components along the direction of x-ray penetration exceeds the limit of the dynamic range of the x-ray imaging system. To address this problem, a varying-energy x-ray CT imaging method is proposed. In this new method, the tube voltage is adjusted several times with the fixed lesser interval. Next, the fusion of grey consistency and logarithm demodulation are applied to obtain full and lower noise projection with a high dynamic range (HDR). In addition, for the noise suppression problem of the analytical method, EM-TV (expectation maximization-total Jvariation) iteration reconstruction is used. In the process of iteration, the reconstruction result obtained at one x-ray energy is used as the initial condition of the next iteration. An accompanying experiment demonstrates that this EM-TV reconstruction can also extend the dynamic range of x-ray imaging systems and provide a higher reconstruction quality relative to the fusion reconstruction method.

First Principles Simulations of P-V-T Unreacted Equation of State of LLM-105

NASA Astrophysics Data System (ADS)

Manaa, Riad; Kuo, I.-Feng; Fried, Laurence

2015-03-01

Equations of states (EOS) of unreacted energetic materials extending to high-pressure and temperatures regimes are of particular interest since they provide fundamental information about the associated thermodynamic properties of these materials at extreme conditions. Very often, experimental and computational studies focus only on determining a pressure-volume relationship at ambient to moderate temperatures. Adding elevated temperature data to construct a P-V-T EOS is highly desirable to extend the range of materials properties. Atomic scale molecular dynamics simulations are particularly suited for such a construct since EOSs are the manifestation of the underlying atomic interactions. In this work, we report dispersion-corrected density functional theoretical calculations of unreacted equation of state (EOS) of the energetic material 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105). We performed large-scale constant-volume and temperature molecular dynamics simulations for pressures ranging from ambient to 35 GPa, and temperatures ranging from 300 K to 1000 K. These calculations allowed us to construct an unreacted P-V-T EOS and obtain bulk modulus for each P-V isotherm. We also report the thermal expansion coefficient of LLM-105 in the temperature range of this study. This work performed under the auspices of the U.S. Department of Energy Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins.

PubMed

Mercadante, Davide; Wagner, Johannes A; Aramburu, Iker V; Lemke, Edward A; Gräter, Frauke

2017-09-12

Molecular dynamics (MD) simulations have valuably complemented experiments describing the dynamics of intrinsically disordered proteins (IDPs), particularly since the proposal of models to solve the artificial collapse of IDPs in silico. Such models suggest redefining nonbonded interactions, by either increasing water dispersion forces or adopting the Kirkwood-Buff force field. These approaches yield extended conformers that better comply with experiments, but it is unclear if they all sample the same intrachain dynamics of IDPs. We have tested this by employing MD simulations and single-molecule Förster resonance energy transfer spectroscopy to sample the dimensions of systems with different sequence compositions, namely strong and weak polyelectrolytes. For strong polyelectrolytes in which charge effects dominate, all the proposed solutions equally reproduce the expected ensemble's dimensions. For weak polyelectrolytes, at lower cutoffs, force fields abnormally alter intrachain dynamics, overestimating excluded volume over chain flexibility or reporting no difference between the dynamics of different chains. The TIP4PD water model alone can reproduce experimentally observed changes in extensions (dimensions), but not quantitatively and with only weak statistical significance. Force field limitations are reversed with increased interaction cutoffs, showing that chain dynamics are critically defined by the presence of long-range interactions. Force field analysis aside, our study provides the first insights into how long-range interactions critically define IDP dimensions and raises the question of which length range is crucial to correctly sample the overall dimensions and internal dynamics of the large group of weakly charged yet highly polar IDPs.

Unifying latitudinal gradients in range size and richness across marine and terrestrial systems

PubMed Central

Tomašových, Adam; Kennedy, Jonathan D.; Betzner, Tristan J.; Kuehnle, Nicole Bitler; Edie, Stewart; Kim, Sora; Supriya, K.; White, Alexander E.; Rahbek, Carsten; Huang, Shan; Price, Trevor D.; Jablonski, David

2016-01-01

Many marine and terrestrial clades show similar latitudinal gradients in species richness, but opposite gradients in range size—on land, ranges are the smallest in the tropics, whereas in the sea, ranges are the largest in the tropics. Therefore, richness gradients in marine and terrestrial systems do not arise from a shared latitudinal arrangement of species range sizes. Comparing terrestrial birds and marine bivalves, we find that gradients in range size are concordant at the level of genera. Here, both groups show a nested pattern in which narrow-ranging genera are confined to the tropics and broad-ranging genera extend across much of the gradient. We find that (i) genus range size and its variation with latitude is closely associated with per-genus species richness and (ii) broad-ranging genera contain more species both within and outside of the tropics when compared with tropical- or temperate-only genera. Within-genus species diversification thus promotes genus expansion to novel latitudes. Despite underlying differences in the species range-size gradients, species-rich genera are more likely to produce a descendant that extends its range relative to the ancestor's range. These results unify species richness gradients with those of genera, implying that birds and bivalves share similar latitudinal dynamics in net species diversification. PMID:27147094

Improving the Dynamic Emissivity Measurement Above 1000 K by Extending the Spectral Range

NASA Astrophysics Data System (ADS)

Urban, D.; Krenek, S.; Anhalt, K.; Taubert, D. R.

2018-01-01

To improve the dynamic emissivity measurement, which is based on the laser-flash method, an array spectrometer is characterized regarding its spectral radiance responsivity for a spectrally resolved emissivity measurement above 1000 K in the wavelength range between 550 nm and 1100 nm. Influences like dark signals, the nonlinearity of the detector, the size-of-source effect, wavelength calibration and the spectral radiance responsivity of the system are investigated to obtain an uncertainty budget for the spectral radiance and emissivity measurements. Uncertainties for the spectral radiance of lower than a relative 2 % are achieved for wavelengths longer than 550 nm. Finally, the spectral emissivity of a graphite sample was determined in the temperature range between 1000 K and 1700 K, and the experimental data show a good repeatability and agreement with literature data.

Synaptic dynamics contribute to long-term single neuron response fluctuations.

PubMed

Reinartz, Sebastian; Biro, Istvan; Gal, Asaf; Giugliano, Michele; Marom, Shimon

2014-01-01

Firing rate variability at the single neuron level is characterized by long-memory processes and complex statistics over a wide range of time scales (from milliseconds up to several hours). Here, we focus on the contribution of non-stationary efficacy of the ensemble of synapses-activated in response to a given stimulus-on single neuron response variability. We present and validate a method tailored for controlled and specific long-term activation of a single cortical neuron in vitro via synaptic or antidromic stimulation, enabling a clear separation between two determinants of neuronal response variability: membrane excitability dynamics vs. synaptic dynamics. Applying this method we show that, within the range of physiological activation frequencies, the synaptic ensemble of a given neuron is a key contributor to the neuronal response variability, long-memory processes and complex statistics observed over extended time scales. Synaptic transmission dynamics impact on response variability in stimulation rates that are substantially lower compared to stimulation rates that drive excitability resources to fluctuate. Implications to network embedded neurons are discussed.

Coarsening dynamics in condensing zero-range processes and size-biased birth death chains

NASA Astrophysics Data System (ADS)

Jatuviriyapornchai, Watthanan; Grosskinsky, Stefan

2016-05-01

Zero-range processes with decreasing jump rates are well known to exhibit a condensation transition under certain conditions on the jump rates, and the dynamics of this transition continues to be a subject of current research interest. Starting from homogeneous initial conditions, the time evolution of the condensed phase exhibits an interesting coarsening phenomenon of mass transport between cluster sites characterized by a power law. We revisit the approach in Godrèche (2003 J. Phys. A: Math. Gen. 36 6313) to derive effective single site dynamics which form a nonlinear birth death chain describing the coarsening behavior. We extend these results to a larger class of parameter values, and introduce a size-biased version of the single site process, which provides an effective tool to analyze the dynamics of the condensed phase without finite size effects and is the main novelty of this paper. Our results are based on a few heuristic assumptions and exact computations, and are corroborated by detailed simulation data.

Small Stirling dynamic isotope power system for multihundred-watt robotic missions

NASA Technical Reports Server (NTRS)

Bents, David J.

1991-01-01

Free Piston Stirling Engine (FPSE) and linear alternator (LA) technology is combined with radioisotope heat sources to produce a compact dynamic isotope power system (DIPS) suitable for multihundred watt space application which appears competitive with advance radioisotope thermoelectric generators (RTGs). The small Stirling DIPS is scalable to multihundred watt power levels or lower. The FPSE/LA is a high efficiency convertor in sizes ranging from tens of kilowatts down to only a few watts. At multihundred watt unit size, the FPSE can be directly integrated with the General Purpose Heat Source (GPHS) via radiative coupling; the resulting dynamic isotope power system has a size and weight that compares favorably with the advanced modular (Mod) RTG, but requires less than a third the amount of isotope fuel. Thus the FPSE extends the high efficiency advantage of dynamic systems into a power range never previously considered competitive for DIPS. This results in lower fuel cost and reduced radiological hazard per delivered electrical watt.

Small Stirling dynamic isotope power system for multihundred-watt robotic missions

NASA Technical Reports Server (NTRS)

Bents, David J.

1991-01-01

Free piston Stirling Engine (FPSE) and linear alternator (LA) technology is combined with radioisotope heat sources to produce a compact dynamic isotope power system (DIPS) suitable for multihundred watt space application which appears competitive with advanced radioisotope thermoelectric generators (RTGs). The small Stirling DIPS is scalable to multihundred watt power levels or lower. The FPSE/LA is a high efficiency convertor in sizes ranging from tens of kilowatts down to only a few watts. At multihundred watt unit size, the FPSE can be directly integrated with the General Purpose Heat Source (GPHS) via radiative coupling; the resulting dynamic isotope power system has a size and weight that compares favorably with the advanced modular (Mod) RTG, but requires less than a third the amount of isotope fuel. Thus the FPSE extends the high efficiency advantage of dynamic systems into a power range never previously considered competitive for DIPS. This results in lower fuel cost and reduced radiological hazard per delivered electrical watt.

Balancing Dynamic Strength of Spur Gears Operated at Extended Center Distance

NASA Technical Reports Server (NTRS)

Lin, Hsiang Hsi; Liou, Chuen-Huei; Oswald, Fred B.; Townsend, Dennis P.

1996-01-01

This paper presents an analytical study on using hob offset to balance the dynamic tooth strength of spur gears operated at a center distance greater than the standard value. This study is an extension of a static study by Mabie and others. The study was limited to the offset values that assure the pinion and gear teeth will neither be undercut nor become pointed. The analysis presented in this paper was performed using DANST-PC, a new version of the NASA gear dynamics code. The operating speed of the transmission influences the amount of hob offset required to equalize the dynamic stresses in the pinion and gear. The optimum hob offset for the pinion was found to vary within a small range as the speed changes. The optimum value is generally greater than the optimum value found by static procedures. For gears that must operate over a wide range of speeds, an average offset value may be used.

A Dynamic Range Enhanced Readout Technique with a Two-Step TDC for High Speed Linear CMOS Image Sensors.

PubMed

Gao, Zhiyuan; Yang, Congjie; Xu, Jiangtao; Nie, Kaiming

2015-11-06

This paper presents a dynamic range (DR) enhanced readout technique with a two-step time-to-digital converter (TDC) for high speed linear CMOS image sensors. A multi-capacitor and self-regulated capacitive trans-impedance amplifier (CTIA) structure is employed to extend the dynamic range. The gain of the CTIA is auto adjusted by switching different capacitors to the integration node asynchronously according to the output voltage. A column-parallel ADC based on a two-step TDC is utilized to improve the conversion rate. The conversion is divided into coarse phase and fine phase. An error calibration scheme is also proposed to correct quantization errors caused by propagation delay skew within -T(clk)~+T(clk). A linear CMOS image sensor pixel array is designed in the 0.13 μm CMOS process to verify this DR-enhanced high speed readout technique. The post simulation results indicate that the dynamic range of readout circuit is 99.02 dB and the ADC achieves 60.22 dB SNDR and 9.71 bit ENOB at a conversion rate of 2 MS/s after calibration, with 14.04 dB and 2.4 bit improvement, compared with SNDR and ENOB of that without calibration.

The drama of illumination: artist's approaches to the creation of HDR in paintings and prints

NASA Astrophysics Data System (ADS)

Parraman, Carinna

2010-02-01

For many centuries artists have considered and depicted illumination in art, from the effect of sunlight on objects at different times of the day, of shadows and highlights as cast by the moon, through indirect light as that through an open window or the artificial light of the candle or firelight. The presentation will consider artists who were fascinated by the phenomena of natural and artificial illumination and how they were able to render the natural world as a form of dynamic range through pigment. Artists have been long aware of the psychological aspects of the juxtaposition of colour in exploiting the optical qualities and arranging visual effects in painting and prints. Artists in the 16th century were attempting to develop an extended dynamic range through multi-colour, wood-block printing. Artists working at the height of naturalist realism in the 17th through the 19th century were fascinated by the illusory nature of light on objects. The presentation will also consider the interpretation of dynamic range through the medium of mezzotint, possibly the most subtle of printing methods, which was used by printers to copy paintings, and to create highly original works of art containing a dynamic range of tones.

Long-range tertiary interactions in single hammerhead ribozymes bias motional sampling toward catalytically active conformations

PubMed Central

McDowell, S. Elizabeth; Jun, Jesse M.; Walter, Nils G.

2010-01-01

Enzymes generally are thought to derive their functional activity from conformational motions. The limited chemical variation in RNA suggests that such structural dynamics may play a particularly important role in RNA function. Minimal hammerhead ribozymes are known to cleave efficiently only in ∼10-fold higher than physiologic concentrations of Mg2+ ions. Extended versions containing native loop–loop interactions, however, show greatly enhanced catalytic activity at physiologically relevant Mg2+ concentrations, for reasons that are still ill-understood. Here, we use Mg2+ titrations, activity assays, ensemble, and single molecule fluorescence resonance energy transfer (FRET) approaches, combined with molecular dynamics (MD) simulations, to ask what influence the spatially distant tertiary loop–loop interactions of an extended hammerhead ribozyme have on its structural dynamics. By comparing hammerhead variants with wild-type, partially disrupted, and fully disrupted loop–loop interaction sequences we find that the tertiary interactions lead to a dynamic motional sampling that increasingly populates catalytically active conformations. At the global level the wild-type tertiary interactions lead to more frequent, if transient, encounters of the loop-carrying stems, whereas at the local level they lead to an enrichment in favorable in-line attack angles at the cleavage site. These results invoke a linkage between RNA structural dynamics and function and suggest that loop–loop interactions in extended hammerhead ribozymes—and Mg2+ ions that bind to minimal ribozymes—may generally allow more frequent access to a catalytically relevant conformation(s), rather than simply locking the ribozyme into a single active state. PMID:20921269

The Global Optimization of Pt13 Cluster Using the First-Principle Molecular Dynamics with the Quenching Technique

NASA Astrophysics Data System (ADS)

Chen, Xiangping; Duan, Haiming; Cao, Biaobing; Long, Mengqiu

2018-03-01

The high-temperature first-principle molecular dynamics method used to obtain the low energy configurations of clusters [L. L. Wang and D. D. Johnson, PRB 75, 235405 (2007)] is extended to a considerably large temperature range by combination with the quenching technique. Our results show that there are strong correlations between the possibilities for obtaining the ground-state structure and the temperatures. Larger possibilities can be obtained at relatively low temperatures (as corresponds to the pre-melting temperature range). Details of the structural correlation with the temperature are investigated by taking the Pt13 cluster as an example, which suggests a quite efficient method to obtain the lowest-energy geometries of metal clusters.

Molecular dynamics simulations of dense plasmas

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

Collins, L.A.; Kress, J.D.; Kwon, I.

1993-12-31

We have performed quantum molecular dynamics simulations of hot, dense plasmas of hydrogen over a range of temperatures(0.1-5eV) and densities(0.0625-5g/cc). We determine the forces quantum mechanically from density functional, extended Huckel, and tight binding techniques and move the nuclei according to the classical equations of motion. We determine pair-correlation functions, diffusion coefficients, and electrical conductivities. We find that many-body effects predominate in this regime. We begin to obtain agreement with the OCP and Thomas-Fermi models only at the higher temperatures and densities.

Far-IR transparency and dynamic infrared signature control with novel conducting polymer systems

NASA Astrophysics Data System (ADS)

Chandrasekhar, Prasanna; Dooley, T. J.

1995-09-01

Materials which possess transparency, coupled with active controllability of this transparency in the infrared (IR), are today an increasingly important requirement, for varied applications. These applications include windows for IR sensors, IR-region flat panel displays used in camouflage as well as in communication and sight through night-vision goggles, coatings with dynamically controllable IR-emissivity, and thermal conservation coatings. Among stringent requirements for these applications are large dynamic ranges (color contrast), 'multi-color' or broad-band characteristics, extended cyclability, long memory retention, matrix addressability, small area fabricability, low power consumption, and environmental stability. Among materials possessing the requirements for variation of IR signature, conducting polymers (CPs) appear to be the only materials with dynamic, actively controllable signature and acceptable dynamic range. Conventional CPs such as poly(alkyl thiophene), poly(pyrrole) or poly(aniline) show very limited dynamic range, especially in the far-IR, while also showing poor transparency. We have developed a number of novel CP systems ('system' implying the CP, the selected dopant, the synthesis method, and the electrolyte) with very wide dynamic range (up to 90% in both important IR regions, 3 - 5 (mu) and 8 - 12 (mu) ), high cyclability (to 105 cycles with less than 10% optical degradation), nearly indefinite optical memory retention, matrix addressability of multi-pixel displays, very wide operating temperature and excellent environmental stability, low charge capacity, and processability into areas from less than 1 mm2 to more than 100 cm2. The criteria used to design and arrive at these CP systems, together with representative IR signature data, are presented in this paper.

Extended vertical range roughness measurements in non-ideal environments

NASA Astrophysics Data System (ADS)

Creath, Katherine

2011-09-01

This paper describes recent research into developing an extended range dynamic interferometry technique where the range is extended vertically to enhance surface roughness measurements made in non-ideal environments. Utilizing short pulses from two sources on either side of a frame transfer in a CCD sensor, data can be taken fast enough in noisy shop environments to make measurements in the presence of vibration, and air turbulence. A key application of this technique is monitoring of surface roughness of large optics during the polishing process by making in situ measurements from fine grind through to the final polish. It is anticipated that this monitoring can help speed up what is now a very lengthy process. This same technique is applicable to many other types of measurements including MEMS devices, as it is not affected by dispersion in windows covering devices, and for measuring features on flat panel display glass or semiconductor wafers. This paper describes the technique, and presents results of a variety of sample measurements including: bare glass in various states of polish from fine grind to final polish, scratches and pits in a roughened semiconductor wafer, a DMD MEMS device, and various calibration standards. Performance in terms of repeatabilitity of step heights and roughness for this proof of concept is in the +/-2% range.

Self-consistent approach to many-body localization and subdiffusion

NASA Astrophysics Data System (ADS)

Prelovšek, P.; Herbrych, J.

2017-07-01

An analytical theory, based on the perturbative treatment of the disorder and extended into a self-consistent set of equations for the dynamical density correlations, is developed and applied to the prototype one-dimensional model of many-body localization. Results show a qualitative agreement with the numerically obtained dynamical structure factor in the whole range of frequencies and wave vectors, as well as across the transition to nonergodic behavior. The theory reveals the singular nature of the one-dimensional problem, whereby on the ergodic side the dynamics is subdiffusive with dynamical conductivity σ (ω ) ∝|ω| α , i.e., with vanishing dc limit σ0=0 and α <1 varying with disorder, while we get α >1 in the localized phase.

Simulation of hydrodynamically interacting particles near a no-slip boundary

NASA Astrophysics Data System (ADS)

Swan, James W.; Brady, John F.

2007-11-01

The dynamics of spherical particles near a single plane wall are computed using an extension of the Stokesian dynamics method that includes long-range many-body and pairwise lubrication interactions between the spheres and the wall in Stokes flow. Extra care is taken to ensure that the mobility and resistance tensors are symmetric, positive, and definite—something which is ineluctable for particles in low-Reynolds-number flows. We discuss why two previous simulation methods for particles near a plane wall, one using multipole expansions and the other using the Rotne-Prager tensor, fail to produce symmetric resistance and mobility tensors. Additionally, we offer some insight on how the Stokesian dynamics paradigm might be extended to study the dynamics of particles in any confining geometry.

Extended-Range High-Resolution Dynamical Downscaling over a Continental-Scale Domain

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

High-resolution mesoscale simulations, when applied for downscaling meteorological fields over large spatial domains and for extended time periods, can provide valuable information for many practical application scenarios including the weather-dependent renewable energy industry. In the present study, a strategy has been proposed to dynamically downscale coarse-resolution meteorological fields from Environment Canada's regional analyses for a period of multiple years over the entire Canadian territory. The study demonstrates that a continuous mesoscale simulation over the entire domain is the most suitable approach in this regard. Large-scale deviations in the different meteorological fields pose the biggest challenge for extended-range simulations over continental scale domains, and the enforcement of the lateral boundary conditions is not sufficient to restrict such deviations. A scheme has therefore been developed to spectrally nudge the simulated high-resolution meteorological fields at the different model vertical levels towards those embedded in the coarse-resolution driving fields derived from the regional analyses. A series of experiments were carried out to determine the optimal nudging strategy including the appropriate nudging length scales, nudging vertical profile and temporal relaxation. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil-moisture, and snow conditions, towards their expected values obtained from a high-resolution offline surface scheme was also devised to limit any considerable deviation in the evolving surface fields due to extended-range temporal integrations. The study shows that ensuring large-scale atmospheric similarities helps to deliver near-surface statistical scores for temperature, dew point temperature and horizontal wind speed that are better or comparable to the operational regional forecasts issued by Environment Canada. Furthermore, the meteorological fields resulting from the proposed downscaling strategy have significantly improved spatiotemporal variance compared to those from the operational forecasts, and any time series generated from the downscaled fields do not suffer from discontinuities due to switching between the consecutive forecasts.

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

Durazo, R.; Hernandez, X.; Sánchez, S. F.

For any MONDian extended theory of gravity where the rotation curves of spiral galaxies are explained through a change in physics rather than the hypothesis of dark matter, a generic dynamical behavior is expected for pressure supported systems: an outer flattening of the velocity dispersion profile occurring at a characteristic radius, where both the amplitude of this flat velocity dispersion and the radius at which it appears are predicted to show distinct scalings with the total mass of the system. By carefully analyzing the dynamics of globular clusters and elliptical galaxies, we are able to significantly extend the astronomical diversitymore » of objects in which MONDian gravity has been tested, from spiral galaxies to the much larger mass range covered by pressure supported systems. We show that a universal projected velocity dispersion profile accurately describes various classes of pressure supported systems, and further, that the expectations of extended gravity are met across seven orders of magnitude in mass. These observed scalings are not expected under dark matter cosmology, and would require particular explanations tuned at the scales of each distinct astrophysical system.« less

Slope-assisted BOTDA based on vector SBS and frequency-agile technique for wide-strain-range dynamic measurements.

PubMed

Zhou, Dengwang; Dong, Yongkang; Wang, Benzhang; Jiang, Taofei; Ba, Dexin; Xu, Pengbai; Zhang, Hongying; Lu, Zhiwei; Li, Hui

2017-02-06

We present a slope-assisted BOTDA system based on the vector stimulated Brillouin scattering (SBS) and frequency-agile technique (FAT) for the wide-strain-range dynamic measurement. A dimensionless coefficient K defined as the ratio of Brillouin phase-shift to gain is employed to demodulate the strain of the fiber, and it is immune to the power fluctuation of pump pulse and has a linear relation of the frequency detuning for the continuous pump and Stokes waves. For a 30ns-square pump pulse, the available frequency span of the K spectrum can reach up to 200MHz, which is larger than fourfold of 48MHz-linewidth of Brillouin gain spectrum. For a single-slope assisted BOTDA, dynamic strain measurement with the maximum strain of 2467.4με and the vibration frequency components of 10.44Hz and 20.94Hz is obtained. For a multi-slope-assisted BOTDA, dynamic measurement with the strain variation up to 5372.9με and the vibration frequency components of 5.58Hz and 11.14Hz is achieved by using FAT to extend the strain range.

Dynamic Grover search: applications in recommendation systems and optimization problems

NASA Astrophysics Data System (ADS)

Chakrabarty, Indranil; Khan, Shahzor; Singh, Vanshdeep

2017-06-01

In the recent years, we have seen that Grover search algorithm (Proceedings, 28th annual ACM symposium on the theory of computing, pp. 212-219, 1996) by using quantum parallelism has revolutionized the field of solving huge class of NP problems in comparisons to classical systems. In this work, we explore the idea of extending Grover search algorithm to approximate algorithms. Here we try to analyze the applicability of Grover search to process an unstructured database with a dynamic selection function in contrast to the static selection function used in the original work (Grover in Proceedings, 28th annual ACM symposium on the theory of computing, pp. 212-219, 1996). We show that this alteration facilitates us to extend the application of Grover search to the field of randomized search algorithms. Further, we use the dynamic Grover search algorithm to define the goals for a recommendation system based on which we propose a recommendation algorithm which uses binomial similarity distribution space giving us a quadratic speedup over traditional classical unstructured recommendation systems. Finally, we see how dynamic Grover search can be used to tackle a wide range of optimization problems where we improve complexity over existing optimization algorithms.

Reaching extended length-scales with accelerated dynamics

NASA Astrophysics Data System (ADS)

Hubartt, Bradley; Shim, Yunsic; Amar, Jacques

2012-02-01

While temperature-accelerated dynamics (TAD) has been quite successful in extending the time-scales for non-equilibrium simulations of small systems, the computational time increases rapidly with system size. One possible solution to this problem, which we refer to as parTAD^1 is to use spatial decomposition combined with our previously developed semi-rigorous synchronous sublattice algorithm^2. However, while such an approach leads to significantly better scaling as a function of system-size, it also artificially limits the size of activated events and is not completely rigorous. Here we discuss progress we have made in developing an alternative approach in which localized saddle-point searches are combined with parallel GPU-based molecular dynamics in order to improve the scaling behavior. By using this method, along with the use of an adaptive method to determine the optimal high-temperature^3, we have been able to significantly increase the range of time- and length-scales over which accelerated dynamics simulations may be carried out. [1] Y. Shim et al, Phys. Rev. B 76, 205439 (2007); ibid, Phys. Rev. Lett. 101, 116101 (2008). [2] Y. Shim and J.G. Amar, Phys. Rev. B 71, 125432 (2005). [3] Y. Shim and J.G. Amar, J. Chem. Phys. 134, 054127 (2011).

Ergodic theory and visualization. II. Fourier mesochronic plots visualize (quasi)periodic sets

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

Levnajić, Zoran; Department of Mechanical Engineering, University of California Santa Barbara, Santa Barbara, California 93106; Mezić, Igor

We present an application and analysis of a visualization method for measure-preserving dynamical systems introduced by I. Mezić and A. Banaszuk [Physica D 197, 101 (2004)], based on frequency analysis and Koopman operator theory. This extends our earlier work on visualization of ergodic partition [Z. Levnajić and I. Mezić, Chaos 20, 033114 (2010)]. Our method employs the concept of Fourier time average [I. Mezić and A. Banaszuk, Physica D 197, 101 (2004)], and is realized as a computational algorithms for visualization of periodic and quasi-periodic sets in the phase space. The complement of periodic phase space partition contains chaotic zone,more » and we show how to identify it. The range of method's applicability is illustrated using well-known Chirikov standard map, while its potential in illuminating higher-dimensional dynamics is presented by studying the Froeschlé map and the Extended Standard Map.« less

Ergodic theory and visualization. II. Fourier mesochronic plots visualize (quasi)periodic sets.

PubMed

Levnajić, Zoran; Mezić, Igor

2015-05-01

We present an application and analysis of a visualization method for measure-preserving dynamical systems introduced by I. Mezić and A. Banaszuk [Physica D 197, 101 (2004)], based on frequency analysis and Koopman operator theory. This extends our earlier work on visualization of ergodic partition [Z. Levnajić and I. Mezić, Chaos 20, 033114 (2010)]. Our method employs the concept of Fourier time average [I. Mezić and A. Banaszuk, Physica D 197, 101 (2004)], and is realized as a computational algorithms for visualization of periodic and quasi-periodic sets in the phase space. The complement of periodic phase space partition contains chaotic zone, and we show how to identify it. The range of method's applicability is illustrated using well-known Chirikov standard map, while its potential in illuminating higher-dimensional dynamics is presented by studying the Froeschlé map and the Extended Standard Map.

Autostereoscopic 3D display system with dynamic fusion of the viewing zone under eye tracking: principles, setup, and evaluation [Invited].

PubMed

Yoon, Ki-Hyuk; Kang, Min-Koo; Lee, Hwasun; Kim, Sung-Kyu

2018-01-01

We study optical technologies for viewer-tracked autostereoscopic 3D display (VTA3D), which provides improved 3D image quality and extended viewing range. In particular, we utilize a technique-the so-called dynamic fusion of viewing zone (DFVZ)-for each 3D optical line to realize image quality equivalent to that achievable at optimal viewing distance, even when a viewer is moving in a depth direction. In addition, we examine quantitative properties of viewing zones provided by the VTA3D system that adopted DFVZ, revealing that the optimal viewing zone can be formed at viewer position. Last, we show that the comfort zone is extended due to DFVZ. This is demonstrated by a viewer's subjective evaluation of the 3D display system that employs both multiview autostereoscopic 3D display and DFVZ.

Responding to Gendered Dynamics: Experiences of Women Working over 25 Years at One University

ERIC Educational Resources Information Center

Broido, Ellen M.; Brown, Kirsten R.; Stygles, Katherine N.; Bronkema, Ryan H.

2015-01-01

In this feminist, constructivist case study we explored how 28 classified, administrative, and faculty women's experiences working at one university for 25-40 years have changed. Participants ranged from 45- to 70-years-old at the time of their interview, with more than half older than 60, and 84% identified as White. Women with extended history…

Benefits of Spacecraft Level Vibration Testing

NASA Technical Reports Server (NTRS)

Gordon, Scott; Kern, Dennis L.

2015-01-01

NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.

Selfish mothers indeed! Resource-dependent conflict over extended parental care in free-ranging dogs

PubMed Central

2015-01-01

Parent–offspring conflict (POC) theory provides an interesting premise for understanding social dynamics in facultatively social species. In free-ranging dogs, mothers increase conflict over extended parental care with their pups beyond the weaning stage. In this study, we investigated whether resource quality affects POC in the dogs that typically live in a highly competitive environment as scavengers. We built a theoretical model to predict the alternative options available to the mother in the context of food sharing with her pups when protein-rich food (meat) is provided, as compared to carbohydrate-rich food (biscuits). We fit the mothers’ response from experimental data to the model and show that the mothers choose a selfish strategy, which can in turn ensure higher lifetime reproductive success, while depriving the current litter access to better resources. These results have interesting implications for understanding the social dynamics of the dogs, and the emergence of facultative sociality in a species that evolved from strongly social ancestors. We speculate that the tendency of increased conflict in resource-rich conditions might have driven the process of domestication in the ancestors of dogs which defected from their groups in favour of richer resources around human settlements. PMID:27019741

Hybrid Ion-Detector/Data-Acquisition System for a TOF-MS

NASA Technical Reports Server (NTRS)

Burton, William D., Jr.; Schultz, J. Albert; Vaughn, Valentine; McCully, Michael; Ulrich, Steven; Egan, Thomas F.

2006-01-01

A modified ion-detector/data-acquisition system has been devised to increase the dynamic range of a time-of-flight mass spectrometer (TOF-MS) that, previously, included a microchannel-plate detector and a data-acquisition system based on counting pulses and time-tagging them by use of a time-to-digital converter (TDC). The dynamic range of the TOF-MS was limited by saturation of the microchannel plate detector, which can handle no more than a few million counts per second. The modified system includes (1) a combined microchannel plate/discrete ion multiplier and (2) a hybrid data-acquisition system that simultaneously performs analog current or voltage measurements and multianode single-ion-pulse-counting time-of-flight measurements to extend the dynamic range of a TDC into the regime in which a mass peak comprises multiple ions arriving simultaneously at the detector. The multianode data are used to determine, in real time, whether the detector is saturated. When saturation is detected, the data-acquisition system selectively enables circuitry that simultaneously determines the ion-peak intensity by measuring the time profile of the analog current or voltage detector-output signal.

Correlations between dynamics and atomic structures in Cu64.5Zr35.5 metallic glass

NASA Astrophysics Data System (ADS)

Wang, C. Z.; Zhang, Y.; Zhang, F.; Mendelev, M. I.; Kramer, M. J.; Ho, K. M.

2015-03-01

The atomic structure of Cu-Zr metallic glasses (MGs) has been widely accepted to be heterogeneous and dominated by icosahedral short range order (ISRO). However, the correlations between dynamics and atomic structures in Cu-Zr MGs remain an enigma. Using molecular dynamics (MD) simulations, we investigated the correlations between dynamics and atomic structures in Cu64.5Zr35.5 MG. The atomic structures are characterized using ISRO and the Bergman-type medium range order (BMRO). The simulation and analysis results show that the majority of the mobile atoms are not involved in ISRO or BMRO, indicating that the dynamical heterogeneity has a strong correlation to structural heterogeneity. Moreover, we found that the localized soft vibration modes below 1.0 THz are mostly concentrated on the mobile atoms. The diffusion was studied using the atomic trajectory collected in an extended time interval of 1.2 μs at 700 K in MD simulations. It was found that the long range diffusion in MGs is highly heterogeneous, which is confined to the liquid-like regions and strongly avoids the ISRO and the Bergman-type MRO. All These results clearly demonstrate strong correlations between dynamics (in terms of dynamical heterogeneity and diffusion) and atomic structures in Cu64.5Zr35.5 MGs. This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering under the Contract No. DE-AC02-07CH11358.

Dynamics of polydots: Soft luminescent polymeric nanoparticles

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

Maskey, Sabina; Osti, Naresh C.; Grest, Gary S.

The conformation and dynamics of luminescent polymers collapsed into nanoparticles or polydots were studied using fully atomistic molecular dynamics (MD) simulations, providing a first insight into their internal dynamics. Controlling the conformation and dynamics of confined polymers is essential for realization of the full potential of polydots in nanomedicine and biotechnology. Specifically, the shape and internal dynamics of polydots that consist of highly rigid dialkyl p-phenylene ethynylene (PPE) are probed as a function of temperature. At room temperature, the polydots are spherical without any correlations between the aromatic rings on the PPE backbone. With increasing temperature, they expand and becomemore » slightly aspherical; however, the polymers remain confined. The coherent dynamic structure factor reveals that the internal motion of the polymer backbone is arrested, and the side chains dominate the internal dynamics of the polydots. Lastly, these new soft nanoparticles retain their overall shape and dynamics over an extended temperature range, and their conformation is tunable via their degree of expansion.« less

Dynamics of polydots: Soft luminescent polymeric nanoparticles

DOE PAGES

Maskey, Sabina; Osti, Naresh C.; Grest, Gary S.; ...

2016-03-04

The conformation and dynamics of luminescent polymers collapsed into nanoparticles or polydots were studied using fully atomistic molecular dynamics (MD) simulations, providing a first insight into their internal dynamics. Controlling the conformation and dynamics of confined polymers is essential for realization of the full potential of polydots in nanomedicine and biotechnology. Specifically, the shape and internal dynamics of polydots that consist of highly rigid dialkyl p-phenylene ethynylene (PPE) are probed as a function of temperature. At room temperature, the polydots are spherical without any correlations between the aromatic rings on the PPE backbone. With increasing temperature, they expand and becomemore » slightly aspherical; however, the polymers remain confined. The coherent dynamic structure factor reveals that the internal motion of the polymer backbone is arrested, and the side chains dominate the internal dynamics of the polydots. Lastly, these new soft nanoparticles retain their overall shape and dynamics over an extended temperature range, and their conformation is tunable via their degree of expansion.« less

Concepts and application of dynamic separation for agility and super-maneuverability of aircraft: An assessment

NASA Technical Reports Server (NTRS)

Freymuth, Peter

1992-01-01

Aims for improvement of fighter aircraft pursued by the unsteady flow community are high agility (the ability of the aircraft to make close turns in a low-speed regime) and super maneuverability (the ability of the aircraft to operate at high angles of attack in a post stall regime during quick maneuvers in a more extended speed range). High agility requires high lift coefficients at low speeds in a dynamic situation and this requirement can be met by dynamically forced separation or by quasistatic stall control. The competing methods will be assessed based on the known physics. Maneuvering into the post stall regime also involves dynamic separation but because even fast maneuvers involving the entire aircraft are 'aerodynamically slow' the resulting dynamic vortex structures should be considered 'elicited' rather than 'forced.' More work seems to be needed in this area of elicited dynamic separation.

SpectraCAM SPM: a camera system with high dynamic range for scientific and medical applications

NASA Astrophysics Data System (ADS)

Bhaskaran, S.; Baiko, D.; Lungu, G.; Pilon, M.; VanGorden, S.

2005-08-01

A scientific camera system having high dynamic range designed and manufactured by Thermo Electron for scientific and medical applications is presented. The newly developed CID820 image sensor with preamplifier-per-pixel technology is employed in this camera system. The 4 Mega-pixel imaging sensor has a raw dynamic range of 82dB. Each high-transparent pixel is based on a preamplifier-per-pixel architecture and contains two photogates for non-destructive readout of the photon-generated charge (NDRO). Readout is achieved via parallel row processing with on-chip correlated double sampling (CDS). The imager is capable of true random pixel access with a maximum operating speed of 4MHz. The camera controller consists of a custom camera signal processor (CSP) with an integrated 16-bit A/D converter and a PowerPC-based CPU running a Linux embedded operating system. The imager is cooled to -40C via three-stage cooler to minimize dark current. The camera housing is sealed and is designed to maintain the CID820 imager in the evacuated chamber for at least 5 years. Thermo Electron has also developed custom software and firmware to drive the SpectraCAM SPM camera. Included in this firmware package is the new Extreme DRTM algorithm that is designed to extend the effective dynamic range of the camera by several orders of magnitude up to 32-bit dynamic range. The RACID Exposure graphical user interface image analysis software runs on a standard PC that is connected to the camera via Gigabit Ethernet.

From terrestrial to aquatic fluxes: Integrating stream dynamics within a dynamic global vegetation modeling framework

NASA Astrophysics Data System (ADS)

Hoy, Jerad; Poulter, Benjamin; Emmett, Kristen; Cross, Molly; Al-Chokhachy, Robert; Maneta, Marco

2016-04-01

Integrated terrestrial ecosystem models simulate the dynamics and feedbacks between climate, vegetation, disturbance, and hydrology and are used to better understand biogeography and biogeochemical cycles. Extending dynamic vegetation models to the aquatic interface requires coupling surface and sub-surface runoff to catchment routing schemes and has the potential to enhance how researchers and managers investigate how changes in the environment might impact the availability of water resources for human and natural systems. In an effort towards creating such a coupled model, we developed catchment-based hydrologic routing and stream temperature model to pair with LPJ-GUESS, a dynamic global vegetation model. LPJ-GUESS simulates detailed stand-level vegetation dynamics such as growth, carbon allocation, and mortality, as well as various physical and hydrologic processes such as canopy interception and through-fall, and can be applied at small spatial scales, i.e., 1 km. We demonstrate how the coupled model can be used to investigate the effects of transient vegetation dynamics and CO2 on seasonal and annual stream discharge and temperature regimes. As a direct management application, we extend the modeling framework to predict habitat suitability for fish habitat within the Greater Yellowstone Ecosystem, a 200,000 km2 region that provides critical habitat for a range of aquatic species. The model is used to evaluate, quantitatively, the effects of management practices aimed to enhance hydrologic resilience to climate change, and benefits for water storage and fish habitat in the coming century.

The UOSAT magnetometer experiment

NASA Technical Reports Server (NTRS)

Acuna, M. H.

1982-01-01

The magnetometer aboard the University of Surrey satellite (UOSAT) and its associated electronics are described. The basic fluxgate magnetometer employed has a dynamic range of plus or minus 8000 nT with outputs digitized by a 12-bit successive approximation A-D converter having a resolution of plus or minus 2 nT. Noise in the 3-13 Hz bandwidth is less than 1 nT. A bias field generator extends the dynamic range to plus or minus 64,000 nT with quantization steps of 8000 nT. The magnetometer experiment is expected to provide information on the secular variation of the geomagnetic field, and the decay rate of the dipole term. Special emphasis will be placed on the acquisition of real time and memory data over the poles which can be correlated with that from Magsat.

Monoclonal Antibodies Attached to Carbon Nanotube Transistors for Paclitaxel Detection

NASA Astrophysics Data System (ADS)

Lee, Wonbae; Lau, Calvin; Richardson, Mark; Rajapakse, Arith; Weiss, Gregory; Collins, Philip; UCI, Molecular Biology; Biochemistry Collaboration; UCI, Departments of Physics; Astronomy Collaboration

Paclitaxel is a naturally-occurring pharmaceutical used in numerous cancer treatments, despite its toxic side effects. Partial inhibition of this toxicity has been demonstrated using weakly interacting monoclonal antibodies (3C6 and 8A10), but accurate monitoring of antibody and paclitaxel concentrations remains challenging. Here, single-molecule studies of the kinetics of antibody-paclitaxel interactions have been performed using single-walled carbon nanotube field-effect transistors. The devices were sensitized with single antibody attachments to record the single-molecule binding dynamics of paclitaxel. This label-free technique recorded a range of dynamic interactions between the antibody and paclitaxel, and it provided sensitive paclitaxel detection for pM to nM concentrations. Measurements with two different antibodies suggest ways of extending this working range and uncovering the mechanistic differences among different antibodies.

Body area network--a key infrastructure element for patient-centered telemedicine.

PubMed

Norgall, Thomas; Schmidt, Robert; von der Grün, Thomas

2004-01-01

The Body Area Network (BAN) extends the range of existing wireless network technologies by an ultra-low range, ultra-low power network solution optimised for long-term or continuous healthcare applications. It enables wireless radio communication between several miniaturised, intelligent Body Sensor (or actor) Units (BSU) and a single Body Central Unit (BCU) worn at the human body. A separate wireless transmission link from the BCU to a network access point--using different technology--provides for online access to BAN components via usual network infrastructure. The BAN network protocol maintains dynamic ad-hoc network configuration scenarios and co-existence of multiple networks.BAN is expected to become a basic infrastructure element for electronic health services: By integrating patient-attached sensors and mobile actor units, distributed information and data processing systems, the range of medical workflow can be extended to include applications like wireless multi-parameter patient monitoring and therapy support. Beyond clinical use and professional disease management environments, private personal health assistance scenarios (without financial reimbursement by health agencies / insurance companies) enable a wide range of applications and services in future pervasive computing and networking environments.

The nonlinear wave equation for higher harmonics in free-electron lasers

NASA Technical Reports Server (NTRS)

Colson, W. B.

1981-01-01

The nonlinear wave equation and self-consistent pendulum equation are generalized to describe free-electron laser operation in higher harmonics; this can significantly extend their tunable range to shorter wavelengths. The dynamics of the laser field's amplitude and phase are explored for a wide range of parameters using families of normalized gain curves applicable to both the fundamental and harmonics. The electron phase-space displays the fundamental physics driving the wave, and this picture is used to distinguish between the effects of high gain and Coulomb forces.

Next generation extended Lagrangian first principles molecular dynamics

NASA Astrophysics Data System (ADS)

Niklasson, Anders M. N.

2017-08-01

Extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] is formulated for general Hohenberg-Kohn density-functional theory and compared with the extended Lagrangian framework of first principles molecular dynamics by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]. It is shown how extended Lagrangian Born-Oppenheimer molecular dynamics overcomes several shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while improving or maintaining important features of Car-Parrinello simulations. The accuracy of the electronic degrees of freedom in extended Lagrangian Born-Oppenheimer molecular dynamics, with respect to the exact Born-Oppenheimer solution, is of second-order in the size of the integration time step and of fourth order in the potential energy surface. Improved stability over recent formulations of extended Lagrangian Born-Oppenheimer molecular dynamics is achieved by generalizing the theory to finite temperature ensembles, using fractional occupation numbers in the calculation of the inner-product kernel of the extended harmonic oscillator that appears as a preconditioner in the electronic equations of motion. Material systems that normally exhibit slow self-consistent field convergence can be simulated using integration time steps of the same order as in direct Born-Oppenheimer molecular dynamics, but without the requirement of an iterative, non-linear electronic ground-state optimization prior to the force evaluations and without a systematic drift in the total energy. In combination with proposed low-rank and on the fly updates of the kernel, this formulation provides an efficient and general framework for quantum-based Born-Oppenheimer molecular dynamics simulations.

Next generation extended Lagrangian first principles molecular dynamics.

PubMed

Niklasson, Anders M N

2017-08-07

Extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] is formulated for general Hohenberg-Kohn density-functional theory and compared with the extended Lagrangian framework of first principles molecular dynamics by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]. It is shown how extended Lagrangian Born-Oppenheimer molecular dynamics overcomes several shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while improving or maintaining important features of Car-Parrinello simulations. The accuracy of the electronic degrees of freedom in extended Lagrangian Born-Oppenheimer molecular dynamics, with respect to the exact Born-Oppenheimer solution, is of second-order in the size of the integration time step and of fourth order in the potential energy surface. Improved stability over recent formulations of extended Lagrangian Born-Oppenheimer molecular dynamics is achieved by generalizing the theory to finite temperature ensembles, using fractional occupation numbers in the calculation of the inner-product kernel of the extended harmonic oscillator that appears as a preconditioner in the electronic equations of motion. Material systems that normally exhibit slow self-consistent field convergence can be simulated using integration time steps of the same order as in direct Born-Oppenheimer molecular dynamics, but without the requirement of an iterative, non-linear electronic ground-state optimization prior to the force evaluations and without a systematic drift in the total energy. In combination with proposed low-rank and on the fly updates of the kernel, this formulation provides an efficient and general framework for quantum-based Born-Oppenheimer molecular dynamics simulations.

Structure and Dynamics of Interfaces: Drops and Films

NASA Technical Reports Server (NTRS)

Mann, J. Adin, Jr.; Mann, Elizabeth K.; Meyer, William V.; Neumann, A. Wilhelm; Tavana, Hossein

2015-01-01

We aim to acquire measurements of the structure and dynamics of certain liquid-fluid interfaces using an ensemble of techniques in collaboration: (1) Total internal reflection (TIR) Surface light scattering spectroscopy (SLSS), (2) Brewster angle microscopy (BAM), and (3) Drop-shape analysis. SLSS and BAM can be done on a shared interfacial footprint. Results using a 50-50 mixture of pentane-isohexane, which extends the range of NASA's Confined Vapor Bubble (CVB) experiment, yield surface tension results that differ from the expected Langmuir Fit. These results were confirmed using both the SLSS and drop-shape analysis approaches.

Pairwise alignment of chromatograms using an extended Fisher-Rao metric.

PubMed

Wallace, W E; Srivastava, A; Telu, K H; Simón-Manso, Y

2014-09-02

A conceptually new approach for aligning chromatograms is introduced and applied to examples of metabolite identification in human blood plasma by liquid chromatography-mass spectrometry (LC-MS). A square-root representation of the chromatogram's derivative coupled with an extended Fisher-Rao metric enables the computation of relative differences between chromatograms. Minimization of these differences using a common dynamic programming algorithm brings the chromatograms into alignment. Application to a complex sample, National Institute of Standards and Technology (NIST) Standard Reference Material 1950, Metabolites in Human Plasma, analyzed by two different LC-MS methods having significantly different ranges of elution time is described. Published by Elsevier B.V.

Promoting Affordability in Defense Acquisitions: A Multi-Period Portfolio Approach

DTIC Science & Technology

2014-04-30

has evolved out of many areas of research, ranging from economics to modern control theory (Powell, 2011). The general form of a dynamic programming...states 5 School of Aeronautics & Astronautics A Portfolio Approach: Background • Balance expected profit (performance) against risk ( variance ) in...investments (Markowitz 1952) • Efficiency frontier of optimal portfolios given investor risk averseness • Extends to multi-period case with various

Redistribution of caveolae during mitosis

PubMed Central

Boucrot, Emmanuel; Howes, Mark T.; Kirchhausen, Tomas; Parton, Robert G.

2011-01-01

Caveolae form a specialized platform within the plasma membrane that is crucial for an array of important biological functions, ranging from signaling to endocytosis. Using total internal reflection fluorescence (TIRF) and 3D fast spinning-disk confocal imaging to follow caveola dynamics for extended periods, and electron microscopy to obtain high resolution snapshots, we found that the vast majority of caveolae are dynamic with lifetimes ranging from a few seconds to several minutes. Use of these methods revealed a change in the dynamics and localization of caveolae during mitosis. During interphase, the equilibrium between the arrival and departure of caveolae from the cell surface maintains the steady-state distribution of caveolin-1 (Cav1) at the plasma membrane. During mitosis, increased dynamics coupled to an imbalance between the arrival and departure of caveolae from the cell surface induces a redistribution of Cav1 from the plasma membrane to intracellular compartments. These changes are reversed during cytokinesis. The observed redistribution of Cav1 was reproduced by treatment of interphase cells with nocodazole, suggesting that microtubule rearrangements during mitosis can mediate caveolin relocalization. This study provides new insights into the dynamics of caveolae and highlights precise regulation of caveola budding and recycling during mitosis. PMID:21625007

Application of ultra-small-angle X-ray scattering / X-ray photon correlation spectroscopy to relate equilibrium or non-equilibrium dynamics to microstructure

NASA Astrophysics Data System (ADS)

Allen, Andrew; Zhang, Fan; Levine, Lyle; Ilavsky, Jan

2013-03-01

Ultra-small-angle X-ray scattering (USAXS) can probe microstructures over the nanometer-to-micrometer scale range. Through use of a small instrument entrance slit, X-ray photon correlation spectroscopy (XPCS) exploits the partial coherence of an X-ray synchrotron undulator beam to provide unprecedented sensitivity to the dynamics of microstructural change. In USAXS/XPCS studies, the dynamics of local structures in a scale range of 100 nm to 1000 nm can be related to an overall hierarchical microstructure extending from 1 nm to more than 1000 nm. Using a point-detection scintillator mode, the equilibrium dynamics at ambient temperature of small particles (which move more slowly than nanoparticles) in aqueous suspension have been quantified directly for the first time. Using a USAXS-XPCS scanning mode for non-equilibrium dynamics incipient processes within dental composites have been elucidated, prior to effects becoming detectable using any other technique. Use of the Advanced Photon Source, an Office of Science User Facility operated for the United States Department of Energy (U.S. DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.

Are Long-Range Structural Correlations Behind the Aggregration Phenomena of Polyglutamine Diseases?

PubMed Central

Moradi, Mahmoud; Babin, Volodymyr; Roland, Christopher; Sagui, Celeste

2012-01-01

We have characterized the conformational ensembles of polyglutamine peptides of various lengths (ranging from to ), both with and without the presence of a C-terminal polyproline hexapeptide. For this, we used state-of-the-art molecular dynamics simulations combined with a novel statistical analysis to characterize the various properties of the backbone dihedral angles and secondary structural motifs of the glutamine residues. For (i.e., just above the pathological length for Huntington's disease), the equilibrium conformations of the monomer consist primarily of disordered, compact structures with non-negligible -helical and turn content. We also observed a relatively small population of extended structures suitable for forming aggregates including - and -strands, and - and -hairpins. Most importantly, for we find that there exists a long-range correlation (ranging for at least residues) among the backbone dihedral angles of the Q residues. For polyglutamine peptides below the pathological length, the population of the extended strands and hairpins is considerably smaller, and the correlations are short-range (at most residues apart). Adding a C-terminal hexaproline to suppresses both the population of these rare motifs and the long-range correlation of the dihedral angles. We argue that the long-range correlation of the polyglutamine homopeptide, along with the presence of these rare motifs, could be responsible for its aggregation phenomena. PMID:22577357

Magnetic Excitations and Continuum of a Possibly Field-Induced Quantum Spin Liquid in α -RuCl3

NASA Astrophysics Data System (ADS)

Wang, Zhe; Reschke, S.; Hüvonen, D.; Do, S.-H.; Choi, K.-Y.; Gensch, M.; Nagel, U.; Rõõm, T.; Loidl, A.

2017-12-01

We report on terahertz spectroscopy of quantum spin dynamics in α -RuCl3 , a system proximate to the Kitaev honeycomb model, as a function of temperature and magnetic field. We follow the evolution of an extended magnetic continuum below the structural phase transition at Ts 2=62 K . With the onset of a long-range magnetic order at TN=6.5 K , spectral weight is transferred to a well-defined magnetic excitation at ℏω1=2.48 meV , which is accompanied by a higher-energy band at ℏω2=6.48 meV . Both excitations soften in a magnetic field, signaling a quantum phase transition close to Bc=7 T , where a broad continuum dominates the dynamical response. Above Bc, the long-range order is suppressed, and on top of the continuum, emergent magnetic excitations evolve. These excitations follow clear selection rules and exhibit distinct field dependencies, characterizing the dynamical properties of a possibly field-induced quantum spin liquid.

Probing conformational dynamics by photoinduced electron transfer

NASA Astrophysics Data System (ADS)

Neuweiler, Hannes; Herten, Dirk P.; Marme, N.; Knemeyer, J. P.; Piestert, Oliver; Tinnefeld, Philip; Sauer, Marcus

2004-07-01

We demonstrate how photoinduced electron transfer (PET) reactions can be successfully applied to monitor conformational dynamics in individual biopolymers. Single-pair fluorescence resonance energy transfer (FRET) experiments are ideally suited to study conformational dynamics occurring on the nanometer scale, e.g. during protein folding or unfolding. In contrast, conformational dynamics with functional significance, for example occurring in enzymes at work, often appear on much smaller spatial scales of up to several Angströms. Our results demonstrate that selective PET-reactions between fluorophores and amino acids or DNA nucleotides represent a versatile tool to measure small-scale conformational dynamics in biopolymers on a wide range of time scales, extending from nanoseconds to seconds, at the single-molecule level under equilibrium conditions. That is, the monitoring of conformational dynamics of biopolymers with temporal resolutions comparable to those within reach using new techniques of molecular dynamic simulations. We present data about structural changes of single biomolecules like DNA hairpins and peptides by using quenching electron transfer reactions between guanosine or tryptophan residues in close proximity to fluorescent dyes. Furthermore, we demonstrate that the strong distance dependence of charge separation reactions on the sub-nanometer scale can be used to develop conformationally flexible PET-biosensors. These sensors enable the detection of specific target molecules in the sub-picomolar range and allow one to follow their molecular binding dynamics with temporal resolution.

Dynamic control of magnetic nanowires by light-induced domain-wall kickoffs

NASA Astrophysics Data System (ADS)

Heintze, Eric; El Hallak, Fadi; Clauß, Conrad; Rettori, Angelo; Pini, Maria Gloria; Totti, Federico; Dressel, Martin; Bogani, Lapo

2013-03-01

Controlling the speed at which systems evolve is a challenge shared by all disciplines, and otherwise unrelated areas use common theoretical frameworks towards this goal. A particularly widespread model is Glauber dynamics, which describes the time evolution of the Ising model and can be applied to any binary system. Here we show, using molecular nanowires under irradiation, that Glauber dynamics can be controlled by a novel domain-wall kickoff mechanism. In contrast to known processes, the kickoff has unambiguous fingerprints, slowing down the spin-flip attempt rate by several orders of magnitude, and following a scaling law. The required irradiance is very low, a substantial improvement over present methods of magneto-optical switching. These results provide a new way to control and study stochastic dynamic processes. Being general for Glauber dynamics, they can be extended to different kinds of magnetic nanowires and to numerous fields, ranging from social evolution to neural networks and chemical reactivity.

Operational planning using Climatological Observations for Maritime Prediction and Analysis Support Service (COMPASS)

NASA Astrophysics Data System (ADS)

O'Connor, Alison; Kirtman, Benjamin; Harrison, Scott; Gorman, Joe

2016-05-01

The US Navy faces several limitations when planning operations in regard to forecasting environmental conditions. Currently, mission analysis and planning tools rely heavily on short-term (less than a week) forecasts or long-term statistical climate products. However, newly available data in the form of weather forecast ensembles provides dynamical and statistical extended-range predictions that can produce more accurate predictions if ensemble members can be combined correctly. Charles River Analytics is designing the Climatological Observations for Maritime Prediction and Analysis Support Service (COMPASS), which performs data fusion over extended-range multi-model ensembles, such as the North American Multi-Model Ensemble (NMME), to produce a unified forecast for several weeks to several seasons in the future. We evaluated thirty years of forecasts using machine learning to select predictions for an all-encompassing and superior forecast that can be used to inform the Navy's decision planning process.

Method to Enhance the Operation of an Optical Inspection Instrument Using Spatial Light Modulators

NASA Technical Reports Server (NTRS)

Trolinger, James; Lal, Amit; Jo, Joshua; Kupiec, Stephen

2012-01-01

For many aspheric and freeform optical components, existing interferometric solutions require a custom computer-generated hologram (CGH) to characterize the part. The overall objective of this research is to develop hardware and a procedure to produce a combined, dynamic, Hartmann/ Digital Holographic interferometry inspection system for a wide range of advanced optical components, including aspheric and freeform optics. This new instrument would have greater versatility and dynamic range than currently available measurement systems. The method uses a spatial light modulator to pre-condition wavefronts for imaging, interferometry, and data processing to improve the resolution and versatility of an optical inspection instrument. Existing interferometers and Hartmann inspection systems have either too small a dynamic range or insufficient resolution to characterize conveniently unusual optical surfaces like aspherical and freeform optics. For interferometers, a specially produced, computer-generated holographic optical element is needed to transform the wavefront to within the range of the interferometer. A new hybrid wavefront sensor employs newly available spatial light modulators (SLMs) as programmable holographic optical elements (HOEs). The HOE is programmed to enable the same instrument to inspect an optical element in stages, first by a Hartmann measurement, which has a very large dynamic range but less resolution. The first measurement provides the information required to precondition a reference wave that avails the measurement process to the more precise phase shifting interferometry. The SLM preconditions a wavefront before it is used to inspect an optical component. This adds important features to an optical inspection system, enabling not just wavefront conditioning for null testing and dynamic range extension, but also the creation of hybrid measurement procedures. This, for example, allows the combination of dynamic digital holography and Hartmann sensing procedures to cover a virtually unlimited dynamic range with high resolution. Digital holography technology brings all of the power and benefits of digital holographic interferometry to the requirement, while Hartmann-type wavefront sensors bring deflectometry technologies to the solution. The SLM can be used to generate arbitrary wavefronts in one leg of the interferometer, thereby greatly simplifying its use and extending its range. The SLM can also be used to modify the system into a dynamic Shack-Hartmann system, which is useful for optical components with large amounts of slope. By integrating these capabilities into a single instrument, the system will have tremendous flexibility to measure a variety of optical shapes accurately.

Dynamical sensitivity control of a single-spin quantum sensor.

PubMed

Lazariev, Andrii; Arroyo-Camejo, Silvia; Rahane, Ganesh; Kavatamane, Vinaya Kumar; Balasubramanian, Gopalakrishnan

2017-07-26

The Nitrogen-Vacancy (NV) defect in diamond is a unique quantum system that offers precision sensing of nanoscale physical quantities at room temperature beyond the current state-of-the-art. The benchmark parameters for nanoscale magnetometry applications are sensitivity, spectral resolution, and dynamic range. Under realistic conditions the NV sensors controlled by conventional sensing schemes suffer from limitations of these parameters. Here we experimentally show a new method called dynamical sensitivity control (DYSCO) that boost the benchmark parameters and thus extends the practical applicability of the NV spin for nanoscale sensing. In contrast to conventional dynamical decoupling schemes, where π pulse trains toggle the spin precession abruptly, the DYSCO method allows for a smooth, analog modulation of the quantum probe's sensitivity. Our method decouples frequency selectivity and spectral resolution unconstrained over the bandwidth (1.85 MHz-392 Hz in our experiments). Using DYSCO we demonstrate high-accuracy NV magnetometry without |2π| ambiguities, an enhancement of the dynamic range by a factor of 4 · 10 3 , and interrogation times exceeding 2 ms in off-the-shelf diamond. In a broader perspective the DYSCO method provides a handle on the inherent dynamics of quantum systems offering decisive advantages for NV centre based applications notably in quantum information and single molecule NMR/MRI.

Subducted Slab Dynamics: Toward Understanding the Causes of Slab Stagnation

NASA Astrophysics Data System (ADS)

King, S. D.; Frost, D. J.; Rubie, D. C.

2013-12-01

The evolution and dynamics of subducted slabs are controlled by a number of factors, including rheology and composition. The correlation of the transformations from olivine to wadslayite and ringwoodite to perovskite plus magnesiowüstite with the seismic velocity discontinuities at 410 and 660 km depth, along with the density changes have been extensively investigated in terms of their impact on slab dynamics. Owing to the relatively smaller changes in density extending over a broader depth range, the impact of the pyroxene-garnet system has received less attention. Recent experimental work has found that the majorite component in garnet--a product of the transition from pyroxene into garnet--is one of the slowest-diffusing components in Earth's mantle. At the relatively low temperatures of the slab, this slow diffusion inhibits the dissolution of pyroxene into garnet, so that the slab remains buoyant relative to the ambient mantle and stagnates. We present dynamic subduction calculations that illustrate the effect of the non-equilibrium pyroxene to garnet transition on slab dynamics. If the transition between equilibrium and non-equilibrium behavior is below 1000 K, we find no impact on slab dynamics. If the transition occurs at 1200 K, it is enough to cause the slab to thicken and stagnate in the transition zone for an extended period of time. Our analysis suggests that cold slabs should be more likely to stagnate in the transition zone and we will compare a global compilation of slab geometries with slab thermal structure to evaluate.

Dynamic thermal expansivity of liquids near the glass transition.

PubMed

Niss, Kristine; Gundermann, Ditte; Christensen, Tage; Dyre, Jeppe C

2012-04-01

Based on previous works on polymers by Bauer et al. [Phys. Rev. E 61, 1755 (2000)], this paper describes a capacitative method for measuring the dynamical expansion coefficient of a viscous liquid. Data are presented for the glass-forming liquid tetramethyl tetraphenyl trisiloxane (DC704) in the ultraviscous regime. Compared to the method of Bauer et al., the dynamical range has been extended by making time-domain experiments and by making very small and fast temperature steps. The modeling of the experiment presented in this paper includes the situation in which the capacitor is not full because the liquid contracts when cooling from room temperature down to around the glass-transition temperature, which is relevant when measuring on a molecular liquid rather than a polymer.

Three-Dimensional Multiscale Modeling of Dendritic Spacing Selection During Al-Si Directional Solidification

NASA Astrophysics Data System (ADS)

Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; Gibbs, Paul J.; Gibbs, John W.; Karma, Alain

2015-08-01

We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. We focus on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues for investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.

Visualizing Chemical Interaction Dynamics of Confined DNA Molecules

NASA Astrophysics Data System (ADS)

Henkin, Gilead; Berard, Daniel; Stabile, Frank; Leslie, Sabrina

We present a novel nanofluidic approach to controllably introducing reagent molecules to interact with confined biopolymers and visualizing the reaction dynamics in real time. By dynamically deforming a flow cell using CLiC (Convex Lens-induced Confinement) microscopy, we are able to tune reaction chamber dimensions from micrometer to nanometer scales. We apply this gentle deformation to load and extend DNA polymers within embedded nanotopographies and visualize their interactions with other molecules in solution. Quantifying the change in configuration of polymers within embedded nanotopographies in response to binding/unbinding of reagent molecules provides new insights into their consequent change in physical properties. CLiC technology enables an ultra sensitive, massively parallel biochemical analysis platform which can acces a broader range of interaction parameters than existing devices.

Finite-element lattice Boltzmann simulations of contact line dynamics

NASA Astrophysics Data System (ADS)

Matin, Rastin; Krzysztof Misztal, Marek; Hernández-García, Anier; Mathiesen, Joachim

2018-01-01

The lattice Boltzmann method has become one of the standard techniques for simulating a wide range of fluid flows. However, the intrinsic coupling of momentum and space discretization restricts the traditional lattice Boltzmann method to regular lattices. Alternative off-lattice Boltzmann schemes exist for both single- and multiphase flows that decouple the velocity discretization from the underlying spatial grid. The current study extends the applicability of these off-lattice methods by introducing a finite element formulation that enables simulating contact line dynamics for partially wetting fluids. This work exemplifies the implementation of the scheme and furthermore presents benchmark experiments that show the scheme reduces spurious currents at the liquid-vapor interface by at least two orders of magnitude compared to a nodal implementation and allows for predicting the equilibrium states accurately in the range of moderate contact angles.

Importing super-resolution imaging into nanoscale puzzles of materials dynamics

NASA Astrophysics Data System (ADS)

King, John; Tsang, Chi Hang Boyce; Wilson, William; Granick, Steve

2014-03-01

A limitation of the exciting recent advances in sub-diffraction microscopy is that they focus on imaging rather than dynamical changes. We are engaged in extending this technique beyond the usual biological applications to address materials problems instead. To this end, we employ stimulated emission depletion (STED) microscopy, which relies on selectively turning off fluorescence emitters through stimulated emission, allowing only a small subset of emitters to be detected, such that the excitation spot size can be downsized to tens of nanometers. By coupling the STED excitation scheme to fluorescence correlation spectroscopy (FCS), diffusive processes are studied with nanoscale resolution. Here, we demonstrate the benefits of such experimental capabilities in a diverse range of complex systems, ranging from the diffusion of nano-objects in crowded 3D environments to the study of polymer diffusion on 2D surfaces.

Extended-Range Prediction with Low-Dimensional, Stochastic-Dynamic Models: A Data-driven Approach

DTIC Science & Technology

2013-09-30

statistically extratropical storms and extremes, and link these to LFV modes. Mingfang Ting, Yochanan Kushnir, Andrew W. Robertson, Lei Wang...forecast models, as well as in the understanding they have generated. Adam Sobel, Daehyun Kim and Shuguang Wang. Extratropical variability and...predictability. Determine the extent to which extratropical monthly and seasonal low-frequency variability (LFV, i.e. PNA, NAO, as well as other regional

Extending the Dynamic Range of the Ion Trap by Differential Mobility Filtration

PubMed Central

Hall, Adam B.; Coy, Stephen L.; Kafle, Amol; Glick, James; Nazarov, Erkinjon

2013-01-01

A miniature, planar, differential ion mobility spectrometer (DMS) was interfaced to an LCQ classic ion trap to conduct selective ion filtration prior to mass analysis in order to extend the dynamic range of the trap. Space charge effects are known to limit the functional ion storage capacity of ion trap mass analyzers and this, in turn, can affect the quality of the mass spectral data generated. This problem is further exacerbated in the analysis of mixtures where the indiscriminate introduction of matrix ions results in premature trap saturation with non-targeted species, thereby reducing the number of parent ions that may be used to conduct MS/MS experiments for quantitation or other diagnostic studies. We show that conducting differential mobility-based separations prior to mass analysis allows the isolation of targeted analytes from electrosprayed mixtures preventing the indiscriminate introduction of matrix ions and premature trap saturation with analytically unrelated species. Coupling these two analytical techniques is shown to enhance the detection of a targeted drug metabolite from a biological matrix. In its capacity as a selective ion filter, the DMS can improve the analytical performance of analyzers such as quadrupole (3-D or linear) and ion cyclotron resonance (FT-ICR) ion traps that depend on ion accumulation. PMID:23797861

Simultaneous broadband laser ranging and photonic Doppler velocimetry for dynamic compression experiments

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

La Lone, B. M., E-mail: lalonebm@nv.doe.gov; Marshall, B. R.; Miller, E. K.

2015-02-15

A diagnostic was developed to simultaneously measure both the distance and velocity of rapidly moving surfaces in dynamic compression experiments, specifically non-planar experiments where integrating the velocity in one direction does not always give the material position accurately. The diagnostic is constructed mainly from fiber-optic telecommunications components. The distance measurement is based on a technique described by Xia and Zhang [Opt. Express 18, 4118 (2010)], which determines the target distance every 20 ns and is independent of the target speed. We have extended the full range of the diagnostic to several centimeters to allow its use in dynamic experiments, andmore » we multiplexed it with a photonic Doppler velocimetry (PDV) system so that distance and velocity histories can be measured simultaneously using one fiber-optic probe. The diagnostic was demonstrated on a spinning square cylinder to show how integrating a PDV record can give an incorrect surface position and how the ranging diagnostic described here obtains it directly. The diagnostic was also tested on an explosive experiment where copper fragments and surface ejecta were identified in both the distance and velocity signals. We show how the distance measurements complement the velocity data. Potential applications are discussed.« less

An Overview of NASA Space Cryocooler Programs--2006

NASA Technical Reports Server (NTRS)

Ross, Ronald G., Jr.; Boyle, R. F.

2006-01-01

Mechanical cryocoolers represent a significant enabling technology for NASA's Earth and Space Science Enterprises. Many of NASA's space instruments require cryogenic refrigeration to improve dynamic range, extend wavelength coverage, or enable the use of advanced detectors to observe a wide range of phenomena--from crop dynamics to stellar birth. Reflecting the relative maturity of the technology at these temperatures, the largest utilization of coolers over the last fifteen years has been for instruments operating at medium to high cryogenic temperatures (55 to 150K). For the future, important new developments are focusing on the lower temperature range, from 6 to 20 K, in support of studies of the origin of the Universe and the search for planets around distant stars. NASA's development of a 20K cryocooler for the European Planck spacecraft and a 6 K cryocooler for the MIRI instrument on the James Webb Space Telescope (JWST) are examples of the thrust to provide low-temperature cooling for this class of future missions.

Bioconvection in spatially extended domains

NASA Astrophysics Data System (ADS)

Karimi, A.; Paul, M. R.

2013-05-01

We numerically explore gyrotactic bioconvection in large spatially extended domains of finite depth using parameter values from available experiments with the unicellular alga Chlamydomonas nivalis. We numerically integrate the three-dimensional, time-dependent continuum model of Pedley [J. Fluid Mech.10.1017/S0022112088002393 195, 223 (1988)] using a high-order, parallel, spectral-element approach. We explore the long-time nonlinear patterns and dynamics found for layers with an aspect ratio of 10 over a range of Rayleigh numbers. Our results yield the pattern wavelength and pattern dynamics which we compare with available theory and experimental measurement. There is good agreement for the pattern wavelength at short times between numerics, experiment, and a linear stability analysis. At long times we find that the general sequence of patterns given by the nonlinear evolution of the governing equations correspond qualitatively to what has been described experimentally. However, at long times the patterns in numerics grow to larger wavelengths, in contrast to what is observed in experiment where the wavelength is found to decrease with time.

Empirical intrinsic geometry for nonlinear modeling and time series filtering.

PubMed

Talmon, Ronen; Coifman, Ronald R

2013-07-30

In this paper, we present a method for time series analysis based on empirical intrinsic geometry (EIG). EIG enables one to reveal the low-dimensional parametric manifold as well as to infer the underlying dynamics of high-dimensional time series. By incorporating concepts of information geometry, this method extends existing geometric analysis tools to support stochastic settings and parametrizes the geometry of empirical distributions. However, the statistical models are not required as priors; hence, EIG may be applied to a wide range of real signals without existing definitive models. We show that the inferred model is noise-resilient and invariant under different observation and instrumental modalities. In addition, we show that it can be extended efficiently to newly acquired measurements in a sequential manner. These two advantages enable us to revisit the Bayesian approach and incorporate empirical dynamics and intrinsic geometry into a nonlinear filtering framework. We show applications to nonlinear and non-Gaussian tracking problems as well as to acoustic signal localization.

A reconfigurable visual-programming library for real-time closed-loop cellular electrophysiology

PubMed Central

Biró, István; Giugliano, Michele

2015-01-01

Most of the software platforms for cellular electrophysiology are limited in terms of flexibility, hardware support, ease of use, or re-configuration and adaptation for non-expert users. Moreover, advanced experimental protocols requiring real-time closed-loop operation to investigate excitability, plasticity, dynamics, are largely inaccessible to users without moderate to substantial computer proficiency. Here we present an approach based on MATLAB/Simulink, exploiting the benefits of LEGO-like visual programming and configuration, combined to a small, but easily extendible library of functional software components. We provide and validate several examples, implementing conventional and more sophisticated experimental protocols such as dynamic-clamp or the combined use of intracellular and extracellular methods, involving closed-loop real-time control. The functionality of each of these examples is demonstrated with relevant experiments. These can be used as a starting point to create and support a larger variety of electrophysiological tools and methods, hopefully extending the range of default techniques and protocols currently employed in experimental labs across the world. PMID:26157385

Start-Stop Moment Optimization of Range Extender and Control Strategy Design for Extended -Range Electric Vehicle

NASA Astrophysics Data System (ADS)

Zhao, Jing-bo; Han, Bing-yuan; Bei, Shao-yi

2017-10-01

Range extender is the core component of E-REV, its start-stop control determines the operation modes of vehicle. This paper based on a certain type of E-REV, researched constant power control strategy of range extender in extended-range model, to target range as constraint condition, combined with different driving cycle conditions, by correcting battery SOC for range extender start-stop moment, optimized the control strategy of range extender, and established the vehicle and range extender start-stop control simulation model. Selected NEDC and UDDS conditions simulation results show that: under certain target mileage, the range extender running time reduced by 37.2% and 28.2% in the NEDC condition, and running time UDDS conditions were reduced by 40.6% and 33.5% in the UDDS condition, reached the purpose of meeting the vehicle mileage and reducing consumption and emission.

Numerical integration of the extended variable generalized Langevin equation with a positive Prony representable memory kernel.

PubMed

Baczewski, Andrew D; Bond, Stephen D

2013-07-28

Generalized Langevin dynamics (GLD) arise in the modeling of a number of systems, ranging from structured fluids that exhibit a viscoelastic mechanical response, to biological systems, and other media that exhibit anomalous diffusive phenomena. Molecular dynamics (MD) simulations that include GLD in conjunction with external and/or pairwise forces require the development of numerical integrators that are efficient, stable, and have known convergence properties. In this article, we derive a family of extended variable integrators for the Generalized Langevin equation with a positive Prony series memory kernel. Using stability and error analysis, we identify a superlative choice of parameters and implement the corresponding numerical algorithm in the LAMMPS MD software package. Salient features of the algorithm include exact conservation of the first and second moments of the equilibrium velocity distribution in some important cases, stable behavior in the limit of conventional Langevin dynamics, and the use of a convolution-free formalism that obviates the need for explicit storage of the time history of particle velocities. Capability is demonstrated with respect to accuracy in numerous canonical examples, stability in certain limits, and an exemplary application in which the effect of a harmonic confining potential is mapped onto a memory kernel.

Chandra Observations of Extended X-Ray Emission in ARP 220

NASA Technical Reports Server (NTRS)

McDowell, J. C.; Clements, D. L.; Lamb, S. A.; Shaked, S.; Hearn, N. C.; Colina, L.; Mundell, C.; Borne, K.; Baker, A. C.; Arribas, S.

2003-01-01

We resolve the extended X-ray emission from the prototypical ultraluminous infrared galaxy Arp 220. Extended, faint, edge-brightened, soft X-ray lobes outside the optical galaxy are observed to a distance of 1CL 15 kpc on each side of the nuclear region. Bright plumes inside the optical isophotes coincide with the optical line emission and extend 1 1 kpc from end to end across the nucleus. The data for the plumes cannot be fitted by a single-temperature plasma and display a range of temperatures from 0.2 to 1 keV. The plumes emerge from bright, diffuse circumnuclear emission in the inner 3 kpc centered on the Ha peak, which is displaced from the radio nuclei. There is a close morphological correspondence between the Ha and soft X-ray emission on all spatial scales. We interpret the plumes as a starburst-driven superwind and discuss two interpretations of the emission from the lobes in the context of simulations of the merger dynamics of Arp 220.

Motion detection using extended fractional Fourier transform and digital speckle photography.

PubMed

Bhaduri, Basanta; Tay, C J; Quan, C; Sheppard, Colin J R

2010-05-24

Digital speckle photography is a useful tool for measuring the motion of optically rough surfaces from the speckle shift that takes place at the recording plane. A simple correlation based digital speckle photographic system has been proposed that implements two simultaneous optical extended fractional Fourier transforms (EFRTs) of different orders using only a single lens and detector to simultaneously detect both the magnitude and direction of translation and tilt by capturing only two frames: one before and another after the object motion. The dynamic range and sensitivity of the measurement can be varied readily by altering the position of the mirror/s used in the optical setup. Theoretical analysis and experiment results are presented.

Wide-Field Imaging Using Nitrogen Vacancies

NASA Technical Reports Server (NTRS)

Englund, Dirk Robert (Inventor); Trusheim, Matthew Edwin (Inventor)

2017-01-01

Nitrogen vacancies in bulk diamonds and nanodiamonds can be used to sense temperature, pressure, electromagnetic fields, and pH. Unfortunately, conventional sensing techniques use gated detection and confocal imaging, limiting the measurement sensitivity and precluding wide-field imaging. Conversely, the present sensing techniques do not require gated detection or confocal imaging and can therefore be used to image temperature, pressure, electromagnetic fields, and pH over wide fields of view. In some cases, wide-field imaging supports spatial localization of the NVs to precisions at or below the diffraction limit. Moreover, the measurement range can extend over extremely wide dynamic range at very high sensitivity.

Extending HHG spectroscopy to new molecular species

NASA Astrophysics Data System (ADS)

McGrath, F.; Hawkins, P.; Simpson, E.; Siegel, T.; Diveki, Z.; Austin, D.; Zair, A.; Castillejo, M.; Marangos, J. P.

2014-03-01

We present technical and experimental advances for performing HHG experiments in a range of substituted benzene molecules starting in the liquid phase. We demonstrate sub 3% fluctutaions in the harmonic signal generated in a benzene vapour backed continuous flow gas jet using a mid-IR laser source. The longer drive wavelength is necessary as the target molecules have low ionization potential and exhibit femtosecond timescale dynamics. We present the acquisition of stable and reproducible harmonic spectra from a range of substituted benzene molecules and the dependence of HHG upon the ellipticity of the laser beam was measured for a number of molecules.

Digital PCR Modeling for Maximal Sensitivity, Dynamic Range and Measurement Precision

PubMed Central

Majumdar, Nivedita; Wessel, Thomas; Marks, Jeffrey

2015-01-01

The great promise of digital PCR is the potential for unparalleled precision enabling accurate measurements for genetic quantification. A challenge associated with digital PCR experiments, when testing unknown samples, is to perform experiments at dilutions allowing the detection of one or more targets of interest at a desired level of precision. While theory states that optimal precision (Po) is achieved by targeting ~1.59 mean copies per partition (λ), and that dynamic range (R) includes the space spanning one positive (λL) to one negative (λU) result from the total number of partitions (n), these results are tempered for the practitioner seeking to construct digital PCR experiments in the laboratory. A mathematical framework is presented elucidating the relationships between precision, dynamic range, number of partitions, interrogated volume, and sensitivity in digital PCR. The impact that false reaction calls and volumetric variation have on sensitivity and precision is next considered. The resultant effects on sensitivity and precision are established via Monte Carlo simulations reflecting the real-world likelihood of encountering such scenarios in the laboratory. The simulations provide insight to the practitioner on how to adapt experimental loading concentrations to counteract any one of these conditions. The framework is augmented with a method of extending the dynamic range of digital PCR, with and without increasing n, via the use of dilutions. An example experiment demonstrating the capabilities of the framework is presented enabling detection across 3.33 logs of starting copy concentration. PMID:25806524

Backward bifurcation and optimal control of Plasmodium Knowlesi malaria

NASA Astrophysics Data System (ADS)

Abdullahi, Mohammed Baba; Hasan, Yahya Abu; Abdullah, Farah Aini

2014-07-01

A deterministic model for the transmission dynamics of Plasmodium Knowlesi malaria with direct transmission is developed. The model is analyzed using dynamical system techniques and it shows that the backward bifurcation occurs for some range of parameters. The model is extended to assess the impact of time dependent preventive (biological and chemical control) against the mosquitoes and vaccination for susceptible humans, while treatment for infected humans. The existence of optimal control is established analytically by the use of optimal control theory. Numerical simulations of the problem, suggest that applying the four control measure can effectively reduce if not eliminate the spread of Plasmodium Knowlesi in a community.

Comparison of full-field interferometric measurement techniques applied to small vibration amplitudes determination

NASA Astrophysics Data System (ADS)

Styk, Adam

2014-07-01

Classical time-averaging and stroboscopic interferometry are widely used for MEMS/MOEMS dynamic behavior investigations. Unfortunately both methods require an amplitude magnitude of at least 0.19λ to be able to detect resonant frequency of the object. Moreover the precision of measurement is limited. That puts strong constrains on the type of element to be tested. In this paper the comparison of two methods of microobject vibration measurements that overcome aforementioned problems are presented. Both methods maintain high speed measurement time and extend the range of amplitudes to be measured (below 0.19λ), moreover can be easily applied to MEMS/MOEMS dynamic parameters measurements.

Environment spectrum and coherence behaviours in a rare-earth doped crystal for quantum memory.

PubMed

Gong, Bo; Tu, Tao; Zhou, Zhong-Quan; Zhu, Xing-Yu; Li, Chuan-Feng; Guo, Guang-Can

2017-12-21

We theoretically investigate the dynamics of environment and coherence behaviours of the central ion in a quantum memory based on a rare-earth doped crystal. The interactions between the central ion and the bath spins suppress the flip-flop rate of the neighbour bath spins and yield a specific environment spectral density S(ω). Under dynamical decoupling pulses, this spectrum provides a general scaling for the coherence envelope and coherence time, which significantly extend over a range on an hour-long time scale. The characterized environment spectrum with ultra-long coherence time can be used to implement various quantum communication and information processing protocols.

An inviscid-viscous interaction approach to the calculation of dynamic stall initiation on airfoils

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

Cebeci, T.; Platzer, M.F.; Jang, H.M.

An interactive boundary-layer method is described for computing unsteady incompressible flow over airfoils, including the initiation of dynamic stall. The inviscid unsteady panel method developed by Platzer and Teng is extended to include viscous effects. The solutions of the boundary-layer equations are obtained with an inverse finite-difference method employing an interaction law based on the Hilbert integral, and the algebraic eddy-viscosity formulation of Cebeci and Smith. The method is applied to airfoils subject to periodic and ramp-type motions and its abilities are examined for a range of angles of attack, reduced frequency, and pitch rate.

Temperature drives abundance fluctuations, but spatial dynamics is constrained by landscape configuration: Implications for climate-driven range shift in a butterfly.

PubMed

Fourcade, Yoan; Ranius, Thomas; Öckinger, Erik

2017-10-01

Prediction of species distributions in an altered climate requires knowledge on how global- and local-scale factors interact to limit their current distributions. Such knowledge can be gained through studies of spatial population dynamics at climatic range margins. Here, using a butterfly (Pyrgus armoricanus) as model species, we first predicted based on species distribution modelling that its climatically suitable habitats currently extend north of its realized range. Projecting the model into scenarios of future climate, we showed that the distribution of climatically suitable habitats may shift northward by an additional 400 km in the future. Second, we used a 13-year monitoring dataset including the majority of all habitat patches at the species northern range margin to assess the synergetic impact of temperature fluctuations and spatial distribution of habitat, microclimatic conditions and habitat quality, on abundance and colonization-extinction dynamics. The fluctuation in abundance between years was almost entirely determined by the variation in temperature during the species larval development. In contrast, colonization and extinction dynamics were better explained by patch area, between-patch connectivity and host plant density. This suggests that the response of the species to future climate change may be limited by future land use and how its host plants respond to climate change. It is, thus, probable that dispersal limitation will prevent P. armoricanus from reaching its potential future distribution. We argue that models of range dynamics should consider the factors influencing metapopulation dynamics, especially at the range edges, and not only broad-scale climate. It includes factors acting at the scale of habitat patches such as habitat quality and microclimate and landscape-scale factors such as the spatial configuration of potentially suitable patches. Knowledge of population dynamics under various environmental conditions, and the incorporation of realistic scenarios of future land use, appears essential to provide predictions useful for actions mitigating the negative effects of climate change. © 2017 The Authors. Journal of Animal Ecology © 2017 British Ecological Society.

ImSyn: photonic image synthesis applied to synthetic aperture radar, microscopy, and ultrasound imaging

NASA Astrophysics Data System (ADS)

Turpin, Terry M.; Lafuse, James L.

1993-02-01

ImSynTM is an image synthesis technology, developed and patented by Essex Corporation. ImSynTM can provide compact, low cost, and low power solutions to some of the most difficult image synthesis problems existing today. The inherent simplicity of ImSynTM enables the manufacture of low cost and reliable photonic systems for imaging applications ranging from airborne reconnaissance to doctor's office ultrasound. The initial application of ImSynTM technology has been to SAR processing; however, it has a wide range of applications such as: image correlation, image compression, acoustic imaging, x-ray tomographic (CAT, PET, SPECT), magnetic resonance imaging (MRI), microscopy, range- doppler mapping (extended TDOA/FDOA). This paper describes ImSynTM in terms of synthetic aperture microscopy and then shows how the technology can be extended to ultrasound and synthetic aperture radar. The synthetic aperture microscope (SAM) enables high resolution three dimensional microscopy with greater dynamic range than real aperture microscopes. SAM produces complex image data, enabling the use of coherent image processing techniques. Most importantly SAM produces the image data in a form that is easily manipulated by a digital image processing workstation.

Multiscale spectroscopy using a monolithic liquid core waveguide with laterally attached fiber ports.

PubMed

Kröckel, Lars; Frosch, Torsten; Schmidt, Markus A

2015-05-22

In conventional absorption spectrometers, the range of accessible concentrations of analytes in aqueous solution is significantly limited by the dynamic range of the measurement system. Here we introduce the concept of multiscale spectroscopy allowing extending that range by orders of magnitude within one single device. The concept relies on using multiple light-sample interaction lengths, boosting the accessible concentration range by a particular extension factor. We experimentally implement our concept by a liquid core waveguide having multiple fiber ports side-wise attached to the waveguide, thus probing the light propagating inside the core at predefined distances from the input. This configuration provides three orders of magnitude of interaction length in one device. To verify the concept we exemplarily determine the concentrations of nitrate and of Rhodamine 6G in water, showing one hundred times improved measurement capabilities. The multiscale spectrometer uses the entire sample volume and allows the simultaneous measurement of fluorescence and attenuance. Due to its integrated design and the extended measurements capabilities, we anticipate application of our device in many application-relevant areas such as water quality analysis or environmental science. Copyright © 2015 Elsevier B.V. All rights reserved.

Applications of high-frequency radar

NASA Astrophysics Data System (ADS)

Headrick, J. M.; Thomason, J. F.

1998-07-01

Efforts to extend radar range by an order of magnitude with use of the ionosphere as a virtual mirror started after the end of World War II. A number of HF radar programs were pursued, with long-range nuclear burst and missile launch detection demonstrated by 1956. Successful east coast radar aircraft detect and track tests extending across the Atlantic were conducted by 1961. The major obstacles to success, the large target-to-clutter ratio and low signal-to-noise ratio, were overcome with matched filter Doppler processing. To search the areas that a 2000 nautical mile (3700 km) radar can reach, very complex and high dynamic range processing is required. The spectacular advances in digital processing technology have made truly wide-area surveillance possible. Use of the surface attached wave over the oceans can enable HF radar to obtain modest extension of range beyond the horizon. The decameter wavelengths used by both skywave and surface wave radars require large physical antenna apertures, but they have unique capabilities for air and surface targets, many of which are of resonant scattering dimensions. Resonant scattering from the ocean permits sea state and direction estimation. Military and commercial applications of HF radar are in their infancy.

Enhanced Graphics for Extended Scale Range

NASA Technical Reports Server (NTRS)

Hanson, Andrew J.; Chi-Wing Fu, Philip

2012-01-01

Enhanced Graphics for Extended Scale Range is a computer program for rendering fly-through views of scene models that include visible objects differing in size by large orders of magnitude. An example would be a scene showing a person in a park at night with the moon, stars, and galaxies in the background sky. Prior graphical computer programs exhibit arithmetic and other anomalies when rendering scenes containing objects that differ enormously in scale and distance from the viewer. The present program dynamically repartitions distance scales of objects in a scene during rendering to eliminate almost all such anomalies in a way compatible with implementation in other software and in hardware accelerators. By assigning depth ranges correspond ing to rendering precision requirements, either automatically or under program control, this program spaces out object scales to match the precision requirements of the rendering arithmetic. This action includes an intelligent partition of the depth buffer ranges to avoid known anomalies from this source. The program is written in C++, using OpenGL, GLUT, and GLUI standard libraries, and nVidia GEForce Vertex Shader extensions. The program has been shown to work on several computers running UNIX and Windows operating systems.

System and method for reducing combustion dynamics in a combustor

DOEpatents

Uhm, Jong Ho; Ziminsky, Willy Steve; Johnson, Thomas Edward; Srinivasan, Shiva; York, William David

2016-11-29

A system for reducing combustion dynamics in a combustor includes an end cap that extends radially across the combustor and includes an upstream surface axially separated from a downstream surface. A combustion chamber is downstream of the end cap, and tubes extend from the upstream surface through the downstream surface. Each tube provides fluid communication through the end cap to the combustion chamber. The system further includes means for reducing combustion dynamics in the combustor. A method for reducing combustion dynamics in a combustor includes flowing a working fluid through tubes that extend axially through an end cap that extends radially across the combustor and obstructing at least a portion of the working fluid flowing through a first set of the tubes.

Spinfoam cosmology with the proper vertex amplitude

NASA Astrophysics Data System (ADS)

Vilensky, Ilya

2017-11-01

The proper vertex amplitude is derived from the Engle-Pereira-Rovelli-Livine vertex by restricting to a single gravitational sector in order to achieve the correct semi-classical behaviour. We apply the proper vertex to calculate a cosmological transition amplitude that can be viewed as the Hartle-Hawking wavefunction. To perform this calculation we deduce the integral form of the proper vertex and use extended stationary phase methods to estimate the large-volume limit. We show that the resulting amplitude satisfies an operator constraint whose classical analogue is the Hamiltonian constraint of the Friedmann-Robertson-Walker cosmology. We find that the constraint dynamically selects the relevant family of coherent states and demonstrate a similar dynamic selection in standard quantum mechanics. We investigate the effects of dynamical selection on long-range correlations.

Three-dimensional multiscale modeling of dendritic spacing selection during Al-Si directional solidification

DOE PAGES

Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; ...

2015-05-27

We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. The focus is on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues formore » investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.« less

Comparison of three different scales techniques for the dynamic mechanical characterization of two polymers (PDMS and SU8)

NASA Astrophysics Data System (ADS)

Le Rouzic, J.; Delobelle, P.; Vairac, P.; Cretin, B.

2009-10-01

In this article the dynamic mechanical characterization of PDMS and SU8 resin using dynamic mechanical analysis, nanoindentation and the scanning microdeformation microscope have been presented. The methods are hereby explained, extended for viscoelastic behaviours, and their compatibility underlined. The storage and loss moduli of these polymers over a wide range of frequencies (from 0.01 Hz to somekHz) have been measured. These techniques are shown fairly matching and the two different viscoelastic behaviours of these two polymers have been exhibited. Indeed, PDMS shows moduli which still increase at 5kHz whereas SU8 ones decrease much sooner. From a material point of view, the Havriliak and Negami model to estimate instantaneous, relaxed moduli and time constant of these materials has been identified.

Variable optical attenuator and dynamic mode group equalizer for few mode fibers.

PubMed

Blau, Miri; Weiss, Israel; Gerufi, Jonathan; Sinefeld, David; Bin-Nun, Moran; Lingle, Robert; Grüner-Nielsen, Lars; Marom, Dan M

2014-12-15

Variable optical attenuation (VOA) for three-mode fiber is experimentally presented, utilizing an amplitude spatial light modulator (SLM), achieving up to -28dB uniform attenuation for all modes. Using the ability to spatially vary the attenuation distribution with the SLM, we also achieve up to 10dB differential attenuation between the fiber's two supported mode group (LP₀₁ and LP₁₁). The spatially selective attenuation serves as the basis of a dynamic mode-group equalizer (DME), potentially gain-balancing mode dependent optical amplification. We extend the experimental three mode DME functionality with a performance analysis of a fiber supporting 6 spatial modes in four mode groups. The spatial modes' distribution and overlap limit the available dynamic range and performance of the DME in the higher mode count case.

Dynamically Reconfigurable Systolic Array Accelerator

NASA Technical Reports Server (NTRS)

Dasu, Aravind; Barnes, Robert

2012-01-01

A polymorphic systolic array framework has been developed that works in conjunction with an embedded microprocessor on a field-programmable gate array (FPGA), which allows for dynamic and complimentary scaling of acceleration levels of two algorithms active concurrently on the FPGA. Use is made of systolic arrays and a hardware-software co-design to obtain an efficient multi-application acceleration system. The flexible and simple framework allows hosting of a broader range of algorithms, and is extendable to more complex applications in the area of aerospace embedded systems. FPGA chips can be responsive to realtime demands for changing applications needs, but only if the electronic fabric can respond fast enough. This systolic array framework allows for rapid partial and dynamic reconfiguration of the chip in response to the real-time needs of scalability, and adaptability of executables.

Doppler-broadened NICE-OHMS beyond the cavity-limited weak absorption condition - I. Theoretical description

NASA Astrophysics Data System (ADS)

Ma, Weiguang; Silander, Isak; Hausmaninger, Thomas; Axner, Ove

2016-01-01

Doppler-broadened (Db) noise-immune cavity-enhanced optical heterodyne molecular spectrometry (NICE-OHMS) is conventionally described by an expression (here referred to as the CONV expression) that is restricted to the case when the single-pass absorbance, α0L, is much smaller than the empty cavity losses, π/F [here termed the conventional cavity-limited weak absorption (CCLWA) condition]. This limits the applicability of the technique, primarily its dynamic range and calibration capability. To remedy this, this work derives extended descriptions of Db NICE-OHMS that are not restricted to the CCLWA condition. First, the general principles of Db NICE-OHMS are scrutinized in some detail. Based solely upon a set of general assumptions, predominantly that it is appropriate to linearize the Beer-Lambert law, that the light is modulated to a triplet, and that the Pound-Drever-Hall sidebands are fully reflected, a general description of Db NICE-OHMS that is not limited to any specific restriction on α0L vs. π/F, here referred to as the FULL description, is derived. However, this description constitutes a set of equations to which no closed form solution has been found. Hence, it needs to be solved numerically (by iterations), which is inconvenient. To circumvent this, for the cases when α0L<π/F but without the requirement that the stronger CCLWA condition needs to be fulfilled, a couple of simplified extended expressions that are expressible in closed analytical form, referred to as the extended locking and extended transmission description, ELET, and the extended locking and full transmission description, ELFT, have been derived. An analysis based on simulations validates the various descriptions and assesses to which extent they agree. It is shown that in the CCLWA limit, all extended descriptions revert to the CONV expression. The latter one deviates though from the extended ones for α0L around and above 0.1π/F. The two simplified extended descriptions agree with the FULL description for a larger range of α0 L than the CONV expression, viz. for the ELET description for α0L up to 0.3π/F and for ELFT for α0L up to 0.6 or 1.0 π/F (depending on the mode of detection). It is then demonstrated that the conventional view of Db NICE-OHMS, which states that the out-of-phase and the in-phase signals can be referred to as a pure absorption and dispersion signal, respectively, breaks down when the CCLWA condition does not hold. In this case, the out-of-phase signal is additionally affected by the phase shifts of the laser components (i.e. dispersion) while the in-phase signal is also influenced by their attenuation. Access to new descriptions broadens considerably the dynamic range of Db NICE-OHMS and facilitates calibration using standard references samples, and thereby its applicability.

Dynamic Properties of Human Tympanic Membrane Based on Frequency-Temperature Superposition

PubMed Central

Zhang, Xiangming; Gan, Rong Z.

2012-01-01

The human tympanic membrane (TM) transfers sound in the ear canal into the mechanical vibration of the ossicles in the middle ear. The dynamic properties of TM directly affect the middle ear transfer function. The static or quasi-static mechanical properties of TM were reported in the literature, but the dynamic properties of TM over the auditory frequency range are very limited. In this paper, a new method was developed to measure the dynamic properties of human TM using the Dynamic-Mechanical Analyzer (DMA). The test was conducted at the frequency range of 1 to 40 Hz at three different temperatures: 5°, 25° and 37°C. The frequency-temperature superposition was applied to extend the testing frequency range to a much higher level (at least 3800 Hz). The generalized linear solid model was employed to describe the constitutive relation of the TM. The storage modulus E’ and the loss modulus E” were obtained from 11 specimens. The mean storage modulus was 15.1 MPa at 1 Hz and 27.6 MPa at 3800 Hz. The mean loss modulus was 0.28 MPa at 1 Hz and 4.1 MPa at 3800 Hz. The results show that the frequency-temperature superposition is a feasible approach to study the dynamic properties of the ear soft tissues. The dynamic properties of human TM obtained in this study provide a better description of the damping behavior of ear tissues. The properties can be transferred into the finite element (FE) model of the human ear to replace the Rayleigh type damping. The data reported here contribute to the biomechanics of the middle ear and improve the accuracy of the FE model for the human ear. PMID:22820983

Study of multiple hologram recording in lithium niobate

NASA Technical Reports Server (NTRS)

Gaylord, T. K.; Callen, W. R.

1976-01-01

The results of a number of theoretical and experimental studies relating to multiple hologram recording in lithium niobate are reported. The analysis of holographic gratings stored in lithium niobate has been extended to cover a more realistic range of physical situations. A new successful dynamic (feedback) theory for describing recording, nondestructive reading, erasure, enhancement, and angular sensitivity has been developed. In addition, the possible architectures of mass data storage systems have been studied.

Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method

PubMed Central

2016-01-01

We report a theoretical description and numerical tests of the extended-system adaptive biasing force method (eABF), together with an unbiased estimator of the free energy surface from eABF dynamics. Whereas the original ABF approach uses its running estimate of the free energy gradient as the adaptive biasing force, eABF is built on the idea that the exact free energy gradient is not necessary for efficient exploration, and that it is still possible to recover the exact free energy separately with an appropriate estimator. eABF does not directly bias the collective coordinates of interest, but rather fictitious variables that are harmonically coupled to them; therefore is does not require second derivative estimates, making it easily applicable to a wider range of problems than ABF. Furthermore, the extended variables present a smoother, coarse-grain-like sampling problem on a mollified free energy surface, leading to faster exploration and convergence. We also introduce CZAR, a simple, unbiased free energy estimator from eABF trajectories. eABF/CZAR converges to the physical free energy surface faster than standard ABF for a wide range of parameters. PMID:27959559

Quantum molecular dynamics of warm dense iron and a five-phase equation of state

NASA Astrophysics Data System (ADS)

Sjostrom, Travis; Crockett, Scott

2018-05-01

Through quantum molecular dynamics (QMD), utilizing both Kohn-Sham (orbital-based) and orbital-free density functional theory, we calculate the equation of state of warm dense iron in the density range 7 -30 g/cm 3 and temperatures from 1 to 100 eV. A critical examination of the iron pseudopotential is made, from which we find a significant improvement at high pressure to the previous QMD calculations of Wang et al. [Phys. Rev. E 89, 023101 (2014), 10.1103/PhysRevE.89.023101]. Our results also significantly extend the ranges of density and temperature that were attempted in that prior work. We calculate the shock Hugoniot and find very good agreement with experimental results to pressures over 20 TPa. These results are then incorporated with previous studies to generate a five-phase equation of state for iron.

Evolutionary dynamics of a rapidly receding southern range boundary in the threatened California red-legged frog (Rana draytonii)

USGS Publications Warehouse

Richmond, Jonathan Q.; Barr, Kelly R.; Backlin, Adam R.; Vandergast, Amy G.; Fisher, Robert N.

2013-01-01

Populations forming the edge of a species range are often imperiled by isolation and low genetic diversity, with proximity to human population centers being a major determinant of edge stability in modern landscapes. Since the 1960s, the California red-legged frog (Rana draytonii) has undergone extensive declines in heavily urbanized southern California, where the range edge has rapidly contracted northward while shifting its cardinal orientation to an east-west trending axis. We studied the genetic structure and diversity of these frontline populations, tested for signatures of contemporary disturbance, specifically fire, and attempted to disentangle these signals from demographic events extending deeper into the past. Consistent with the genetic expectations of the ‘abundant-center’ model, we found that diversity, admixture, and opportunity for random mating increases in populations sampled successively further away from the range boundary. Demographic simulations indicate that bottlenecks in peripheral isolates are associated with processes extending tens to a few hundred generations in the past, despite the demographic collapse of some due to recent fire-flood events. While the effects of recent disturbance have left little genetic imprint on these populations, they likely contribute to an extinction debt that will lead to continued range contraction unless management intervenes to stall or reverse the process.

A wide linear range Eddy Current Displacement Sensor equipped with dual-coil probe applied in the Magnetic Suspension Flywheel.

PubMed

Fang, Jiancheng; Wen, Tong

2012-01-01

The Eddy Current Displacement Sensor (ECDS) is widely used in the Magnetic Suspension Flywheel (MSFW) to measure the tiny clearance between the rotor and the magnetic bearings. The linear range of the ECDS is determined by the diameter of its probe coil. Wide clearances must be measured in some new MSFWs recently designed for the different space missions, but the coil diameter is limited by some restrictions. In this paper, a multi-channel ECDS equipped with dual-coil probes is proposed to extend the linear range to satisfy the demands of such MSFWs. In order to determine the best configuration of the dual-coil probe, the quality factors of the potential types of the dual-coil probes, the induced eddy current and the magnetic intensity on the surface of the measuring object are compared with those of the conventional single-coil probe. The linear range of the ECDS equipped with the selected dual-coil probe is extended from 1.1 mm to 2.4 mm under the restrictions without adding any cost for additional compensation circuits or expensive coil materials. The effectiveness of the linear range extension ability and the dynamic response of the designed ECDS are confirmed by the testing and the applications in the MSFW.

Two-rate periodic protocol with dynamics driven through many cycles

NASA Astrophysics Data System (ADS)

Kar, Satyaki

2017-02-01

We study the long time dynamics in closed quantum systems periodically driven via time dependent parameters with two frequencies ω1 and ω2=r ω1 . Tuning of the ratio r there can unleash plenty of dynamical phenomena to occur. Our study includes integrable models like Ising and X Y models in d =1 and the Kitaev model in d =1 and 2 and can also be extended to Dirac fermions in graphene. We witness the wave-function overlap or dynamic freezing that occurs within some small/ intermediate frequency regimes in the (ω1,r ) plane (with r ≠0 ) when the ground state is evolved through a single cycle of driving. However, evolved states soon become steady with long driving, and the freezing scenario gets rarer. We extend the formalism of adiabatic-impulse approximation for many cycle driving within our two-rate protocol and show the near-exact comparisons at small frequencies. An extension of the rotating wave approximation is also developed to gather an analytical framework of the dynamics at high frequencies. Finally we compute the entanglement entropy in the stroboscopically evolved states within the gapped phases of the system and observe how it gets tuned with the ratio r in our protocol. The minimally entangled states are found to fall within the regime of dynamical freezing. In general, the results indicate that the entanglement entropy in our driven short-ranged integrable systems follow a genuine nonarea law of scaling and show a convergence (with a r dependent pace) towards volume scaling behavior as the driving is continued for a long time.

Estimating Power System Dynamic States Using Extended Kalman Filter

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

Huang, Zhenyu; Schneider, Kevin P.; Nieplocha, Jaroslaw

2014-10-31

Abstract—The state estimation tools which are currently deployed in power system control rooms are based on a steady state assumption. As a result, the suite of operational tools that rely on state estimation results as inputs do not have dynamic information available and their accuracy is compromised. This paper investigates the application of Extended Kalman Filtering techniques for estimating dynamic states in the state estimation process. The new formulated “dynamic state estimation” includes true system dynamics reflected in differential equations, not like previously proposed “dynamic state estimation” which only considers the time-variant snapshots based on steady state modeling. This newmore » dynamic state estimation using Extended Kalman Filter has been successfully tested on a multi-machine system. Sensitivity studies with respect to noise levels, sampling rates, model errors, and parameter errors are presented as well to illustrate the robust performance of the developed dynamic state estimation process.« less

Cassini limb images of hazes in Saturn’s northern hemisphere

NASA Astrophysics Data System (ADS)

Sanchez-Lavega, Agustin M.; Garcia, Daniel; del Rio-Gaztelurrutia, Teresa; Garcia-Muñoz, Antonio; Perez-Hoyos, Santiago; Hueso, Ricardo

2017-10-01

We have used high resolution Cassini ISS images of the limb of Saturn to study the vertical distribution, altitude location, thickness and optical properties of the haze layers in the northern hemisphere (1°S to 82°N) in 2013 and 2015. The images cover an ample spectral range from the ultraviolet (UV1 filter, 264 nm) to the near infrared (CB3 filter, 938 nm) including methane absorption bands at 619 nm, 724 nm and 890 nm. Spatial resolution ranges from 1.6 to 13 km/pixel depending on wavelength and latitude. Three latitude bands were selected for the analysis according to the background zonal wind profile measured at cloud level and known dynamical activity: (a) North Polar Region encompassing the Hexagon latitude (74°N) (b) Mid-latitudes (45°N-52°N), and (3) Equator (1°N-3°S). The best defined haze structures and most extended haze layers were found at the latitude of the Hexagon. Up to 6-8 haze layers extending up to 400 km in altitude above clouds (in the pressure range from about 0.7 bar to 0.1 mbar) were detected. The vertical thickness of the layers is in the range 3-15 km compared to the scale height which is about 40 km. The spectral reflectivity is relatively uniform between the layers in the blue and red continuum wavelengths coming from the backward light scattering from the haze particles, while the brightness in the methane bands (relative to red continuum) and in the ultraviolet shows the effects of methane absorption and Rayleigh scattering by the gas, respectively. At mid-latitudes 3-4 haze layers are found spanning up to altitudes 200 km above the clouds. At the Equator 5-6 layers are found extending up to altitudes 250 km above the clouds (up to 2 mbar in pressure level) in a region of great dynamical interest because of the particular structure of the zonal winds and their known oscillations. We comment on the possible nature of the haze layers on the basis of condensing species and photochemistry.

Interfacial mixing in high-energy-density matter with a multiphysics kinetic model

NASA Astrophysics Data System (ADS)

Haack, Jeffrey R.; Hauck, Cory D.; Murillo, Michael S.

2017-12-01

We have extended a recently developed multispecies, multitemperature Bhatnagar-Gross-Krook model [Haack et al., J. Stat. Phys. 168, 822 (2017), 10.1007/s10955-017-1824-9], to include multiphysics capabilities that enable modeling of a wider range of physical conditions. In terms of geometry, we have extended from the spatially homogeneous setting to one spatial dimension. In terms of the physics, we have included an atomic ionization model, accurate collision physics across coupling regimes, self-consistent electric fields, and degeneracy in the electronic screening. We apply the model to a warm dense matter scenario in which the ablator-fuel interface of an inertial confinement fusion target is heated, but for larger length and time scales and for much higher temperatures than can be simulated using molecular dynamics. Relative to molecular dynamics, the kinetic model greatly extends the temperature regime and the spatiotemporal scales over which we are able to model. In our numerical results we observe hydrogen from the ablator material jetting into the fuel during the early stages of the implosion and compare the relative size of various diffusion components (Fickean diffusion, electrodiffusion, and barodiffusion) that drive this process. We also examine kinetic effects, such as anisotropic distributions and velocity separation, in order to determine when this problem can be described with a hydrodynamic model.

Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

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

Zhao, Xujun; Li, Jiyuan; Jiang, Xikai

An efficient parallel Stokes’s solver is developed towards the complete inclusion of hydrodynamic interactions of Brownian particles in any geometry. A Langevin description of the particle dynamics is adopted, where the long-range interactions are included using a Green’s function formalism. We present a scalable parallel computational approach, where the general geometry Stokeslet is calculated following a matrix-free algorithm using the General geometry Ewald-like method. Our approach employs a highly-efficient iterative finite element Stokes’ solver for the accurate treatment of long-range hydrodynamic interactions within arbitrary confined geometries. A combination of mid-point time integration of the Brownian stochastic differential equation, the parallelmore » Stokes’ solver, and a Chebyshev polynomial approximation for the fluctuation-dissipation theorem result in an O(N) parallel algorithm. We also illustrate the new algorithm in the context of the dynamics of confined polymer solutions in equilibrium and non-equilibrium conditions. Our method is extended to treat suspended finite size particles of arbitrary shape in any geometry using an Immersed Boundary approach.« less

An Adaptive Scheme for Robot Localization and Mapping with Dynamically Configurable Inter-Beacon Range Measurements

PubMed Central

Torres-González, Arturo; Martinez-de Dios, Jose Ramiro; Ollero, Anibal

2014-01-01

This work is motivated by robot-sensor network cooperation techniques where sensor nodes (beacons) are used as landmarks for range-only (RO) simultaneous localization and mapping (SLAM). This paper presents a RO-SLAM scheme that actuates over the measurement gathering process using mechanisms that dynamically modify the rate and variety of measurements that are integrated in the SLAM filter. It includes a measurement gathering module that can be configured to collect direct robot-beacon and inter-beacon measurements with different inter-beacon depth levels and at different rates. It also includes a supervision module that monitors the SLAM performance and dynamically selects the measurement gathering configuration balancing SLAM accuracy and resource consumption. The proposed scheme has been applied to an extended Kalman filter SLAM with auxiliary particle filters for beacon initialization (PF-EKF SLAM) and validated with experiments performed in the CONET Integrated Testbed. It achieved lower map and robot errors (34% and 14%, respectively) than traditional methods with a lower computational burden (16%) and similar beacon energy consumption. PMID:24776938

An adaptive scheme for robot localization and mapping with dynamically configurable inter-beacon range measurements.

PubMed

Torres-González, Arturo; Martinez-de Dios, Jose Ramiro; Ollero, Anibal

2014-04-25

This work is motivated by robot-sensor network cooperation techniques where sensor nodes (beacons) are used as landmarks for range-only (RO) simultaneous localization and mapping (SLAM). This paper presents a RO-SLAM scheme that actuates over the measurement gathering process using mechanisms that dynamically modify the rate and variety of measurements that are integrated in the SLAM filter. It includes a measurement gathering module that can be configured to collect direct robot-beacon and inter-beacon measurements with different inter-beacon depth levels and at different rates. It also includes a supervision module that monitors the SLAM performance and dynamically selects the measurement gathering configuration balancing SLAM accuracy and resource consumption. The proposed scheme has been applied to an extended Kalman filter SLAM with auxiliary particle filters for beacon initialization (PF-EKF SLAM) and validated with experiments performed in the CONET Integrated Testbed. It achieved lower map and robot errors (34% and 14%, respectively) than traditional methods with a lower computational burden (16%) and similar beacon energy consumption.

Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

DOE PAGES

Zhao, Xujun; Li, Jiyuan; Jiang, Xikai; ...

2017-06-29

An efficient parallel Stokes’s solver is developed towards the complete inclusion of hydrodynamic interactions of Brownian particles in any geometry. A Langevin description of the particle dynamics is adopted, where the long-range interactions are included using a Green’s function formalism. We present a scalable parallel computational approach, where the general geometry Stokeslet is calculated following a matrix-free algorithm using the General geometry Ewald-like method. Our approach employs a highly-efficient iterative finite element Stokes’ solver for the accurate treatment of long-range hydrodynamic interactions within arbitrary confined geometries. A combination of mid-point time integration of the Brownian stochastic differential equation, the parallelmore » Stokes’ solver, and a Chebyshev polynomial approximation for the fluctuation-dissipation theorem result in an O(N) parallel algorithm. We also illustrate the new algorithm in the context of the dynamics of confined polymer solutions in equilibrium and non-equilibrium conditions. Our method is extended to treat suspended finite size particles of arbitrary shape in any geometry using an Immersed Boundary approach.« less

Confounded winter and spring phenoclimatology on large herbivore ranges

USGS Publications Warehouse

Christianson, David; Klaver, Robert W.; Middleton, Arthur; Kauffman, Matthew

2013-01-01

Annual variation in winter severity and growing season vegetation dynamics appear to influence the demography of temperate herbivores but parsing winter from spring effects requires independent metrics of environmental conditions specific to each season. We tested for independence in annual variation amongst four common metrics used to describe winter severity and early growing season vegetation dynamics across the entire spatial distribution of elk (Cervus elaphus) in Wyoming from 1989 to 2006. Winter conditions and early growing season dynamics were correlated in a specific way. Winters with snow cover that ended early tended to be followed by early, but slow, rises in the normalized difference vegetation index (NDVI), while long winters with extended periods of snow cover were often followed by late and rapid rises in NDVI. Across the 35 elk ranges, 0.4–86.8 % of the variation in the rate of increase in NDVI’s in spring was explained by the date snow cover disappeared from SNOTEL stations. Because phenoclimatological metrics are correlated across seasons and shifting due to climate change, identifying environmental constraints on herbivore fitness, particularly migratory species, is more difficult than previously recognized.

A fast integrated mobility spectrometer for rapid measurement of sub-micrometer aerosol size distribution, Part I: Design and model evaluation

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

Wang, Jian; Pikridas, Michael; Spielman, Steven R.

This study discusses, a fast integrated mobility spectrometer (FIMS) was previously developed to characterize submicron aerosol size distributions at a frequency of 1 Hz and with high size resolution and counting statistics. However, the dynamic size range of the FIMS was limited to one decade in particle electrical mobility. It was proposed that the FIMS dynamic size range can be greatly increased by using a spatially varying electric field. This electric field creates regions with drastically different field strengths in the separator, such that particles of a wide diameter range can be simultaneously classified and subsequently measured. A FIMS incorporatingmore » this spatially varying electric field is developed. This paper describes the theoretical frame work and numerical simulations of the FIMS with extended dynamic size range, including the spatially varying electric field, particle trajectories, activation of separated particles in the condenser, and the transfer function, transmission efficiency, and mobility resolution. The influences of the particle Brownian motion on FIMS transfer function and mobility resolution are examined. The simulation results indicate that the FIMS incorporating the spatially varying electric field is capable of measuring aerosol size distribution from 8 to 600 nm with high time resolution. As a result, the experimental characterization of the FIMS is presented in an accompanying paper.« less

A fast integrated mobility spectrometer for rapid measurement of sub-micrometer aerosol size distribution, Part I: Design and model evaluation

DOE PAGES

Wang, Jian; Pikridas, Michael; Spielman, Steven R.; ...

2017-06-01

This study discusses, a fast integrated mobility spectrometer (FIMS) was previously developed to characterize submicron aerosol size distributions at a frequency of 1 Hz and with high size resolution and counting statistics. However, the dynamic size range of the FIMS was limited to one decade in particle electrical mobility. It was proposed that the FIMS dynamic size range can be greatly increased by using a spatially varying electric field. This electric field creates regions with drastically different field strengths in the separator, such that particles of a wide diameter range can be simultaneously classified and subsequently measured. A FIMS incorporatingmore » this spatially varying electric field is developed. This paper describes the theoretical frame work and numerical simulations of the FIMS with extended dynamic size range, including the spatially varying electric field, particle trajectories, activation of separated particles in the condenser, and the transfer function, transmission efficiency, and mobility resolution. The influences of the particle Brownian motion on FIMS transfer function and mobility resolution are examined. The simulation results indicate that the FIMS incorporating the spatially varying electric field is capable of measuring aerosol size distribution from 8 to 600 nm with high time resolution. As a result, the experimental characterization of the FIMS is presented in an accompanying paper.« less

Collective hydration dynamics of guanidinium chloride solutions and its possible role in protein denaturation: a terahertz spectroscopic study.

PubMed

Samanta, Nirnay; Mahanta, Debasish Das; Mitra, Rajib Kumar

2014-11-14

The remarkable ability of guanidinium chloride (GdmCl) to denature proteins is a well studied yet controversial phenomenon; the exact molecular mechanism is still debatable, especially the role of hydration dynamics, which has been paid less attention. In the present contribution, we have addressed the issue of whether the collective hydrogen bond dynamics of water gets perturbed in the presence of GdmCl and its possible impact on the denaturation of a globular protein human serum albumin (HSA), using terahertz (THz) time domain spectroscopy (TTDS) in the frequency range of 0.3-2.0 THz. The collective hydrogen bond dynamics is determined by fitting the obtained complex dielectric response in a multiple Debye relaxation model. To compare the results, the studies were extended to two more salts: tetramethylguanidinium chloride (TMGdmCl) and sodium chloride (NaCl). It was concluded that the change in hydration dynamics plays a definite role in the protein denaturation process.

Coherent inflationary dynamics for Bose-Einstein condensates crossing a quantum critical point

NASA Astrophysics Data System (ADS)

Feng, Lei; Clark, Logan W.; Gaj, Anita; Chin, Cheng

2018-03-01

Quantum phase transitions, transitions between many-body ground states, are of extensive interest in research ranging from condensed-matter physics to cosmology1-4. Key features of the phase transitions include a stage with rapidly growing new order, called inflation in cosmology5, followed by the formation of topological defects6-8. How inflation is initiated and evolves into topological defects remains a hot topic of debate. Ultracold atomic gas offers a pristine and tunable platform to investigate quantum critical dynamics9-21. We report the observation of coherent inflationary dynamics across a quantum critical point in driven Bose-Einstein condensates. The inflation manifests in the exponential growth of density waves and populations in well-resolved momentum states. After the inflation stage, extended coherent dynamics is evident in both real and momentum space. We present an intuitive description of the quantum critical dynamics in our system and demonstrate the essential role of phase fluctuations in the formation of topological defects.

Short-range correlation in high-momentum antisymmetrized molecular dynamics

NASA Astrophysics Data System (ADS)

Myo, Takayuki

2018-03-01

We propose a new variational method for treating short-range repulsion of bare nuclear force for nuclei in antisymmetrized molecular dynamics (AMD). In AMD, the short-range correlation is described in terms of large imaginary centroids of Gaussian wave packets of nucleon pairs in opposite signs, causing high-momentum components in the nucleon pairs. We superpose these AMD basis states and call this method "high-momentum AMD" (HM-AMD), which is capable of describing the strong tensor correlation [T. Myo et al., Prog. Theor. Exp. Phys., 2017, 111D01 (2017)]. In this letter, we extend HM-AMD by including up to two kinds of nucleon pairs in each AMD basis state utilizing the cluster expansion, which produces many-body correlations involving high-momentum components. We investigate how well HM-AMD describes the short-range correlation by showing the results for ^3H using the Argonne V4^' central potential. It is found that HM-AMD reproduces the results of few-body calculations and also the tensor-optimized AMD. This means that HM-AMD is a powerful approach to describe the short-range correlation in nuclei. In HM-AMD, the momentum directions of nucleon pairs isotropically contribute to the short-range correlation, which is different from the tensor correlation.

High Precision Sunphotometer using Wide Dynamic Range (WDR) Camera Tracking

NASA Astrophysics Data System (ADS)

Liss, J.; Dunagan, S. E.; Johnson, R. R.; Chang, C. S.; LeBlanc, S. E.; Shinozuka, Y.; Redemann, J.; Flynn, C. J.; Segal-Rosenhaimer, M.; Pistone, K.; Kacenelenbogen, M. S.; Fahey, L.

2016-12-01

High Precision Sunphotometer using Wide Dynamic Range (WDR) Camera TrackingThe NASA Ames Sun-photometer-Satellite Group, DOE, PNNL Atmospheric Sciences and Global Change Division, and NASA Goddard's AERONET (AErosol RObotic NETwork) team recently collaborated on the development of a new airborne sunphotometry instrument that provides information on gases and aerosols extending far beyond what can be derived from discrete-channel direct-beam measurements, while preserving or enhancing many of the desirable AATS features (e.g., compactness, versatility, automation, reliability). The enhanced instrument combines the sun-tracking ability of the current 14-Channel NASA Ames AATS-14 with the sky-scanning ability of the ground-based AERONET Sun/sky photometers, while extending both AATS-14 and AERONET capabilities by providing full spectral information from the UV (350 nm) to the SWIR (1,700 nm). Strengths of this measurement approach include many more wavelengths (isolated from gas absorption features) that may be used to characterize aerosols and detailed (oversampled) measurements of the absorption features of specific gas constituents. The Sky Scanning Sun Tracking Airborne Radiometer (3STAR) replicates the radiometer functionality of the AATS-14 instrument but incorporates modern COTS technologies for all instruments subsystems. A 19-channel radiometer bundle design is borrowed from a commercial water column radiance instrument manufactured by Biospherical Instruments of San Diego California (ref, Morrow and Hooker)) and developed using NASA funds under the Small Business Innovative Research (SBIR) program. The 3STAR design also incorporates the latest in robotic motor technology embodied in Rotary actuators from Oriental motor Corp. having better than 15 arc seconds of positioning accuracy. Control system was designed, tested and simulated using a Hybrid-Dynamical modeling methodology. The design also replaces the classic quadrant detector tracking sensor with a wide dynamic range camera that provides a high precision solar position tracking signal as well as an image of the sky in the 45° field of view around the solar axis, which can be of great assistance in flagging data for cloud effects or other factors that might impact data quality.

TU-CD-304-04: Scanning Field Total Body Irradiation Using Dynamic Arc with Variable Dose Rate and Gantry Speed

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

Yi, B; Xu, H; Mutaf, Y

2015-06-15

Purpose: Enable a scanning field total body irradiation (TBI) technique, using dynamic arcs, which is biologically equivalent to a moving couch TBI. Methods: Patient is treated slightly above the floor and the treatment field scans across the patient by a moving gantry. MLC positions change during gantry motion to keep same field opening at the level of the treatment plane (170 cm). This is done to mimic the same geometry as the moving couch TBI technique which has been used in our institution for over 10 years. The dose rate and the gantry speed are determined considering a constant speedmore » of the moving field, variations in SSD and slanted depths resulting from oblique gantry angles. An Eclipse (Varian) planning system is commissioned to accommodate the extended SSD. The dosimetric foundations of the technique have been thoroughly investigated using phantom measurements. Results: Dose uniformity better than 2% across 180 cm length at 10cm depth is achieved by moving the gantry from −55 to +55 deg. Treatment range can be extended by increasing gantry range. No device such as a gravity-oriented compensator is needed to achieve a uniform dose. It is feasible to modify the dose distribution by adjusting the dose rate at each gantry angle to compensate for body thickness differences. Total treatment time for 2 Gy AP/PA fields is 40–50 minutes excluding patient set up time, at the machine dose rate of 100 MU/min. Conclusion: This novel yet transportable moving field technique enables TBI treatment in a small treatment room with less program development preparation than other techniques. Treatment length can be extended per need, and. MLC-based thickness compensation and partial lung blocking are also possible.« less

Fiber optic shape sensing for monitoring of flexible structures

NASA Astrophysics Data System (ADS)

Lally, Evan M.; Reaves, Matt; Horrell, Emily; Klute, Sandra; Froggatt, Mark E.

2012-04-01

Recent advances in materials science have resulted in a proliferation of flexible structures for high-performance civil, mechanical, and aerospace applications. Large aspect-ratio aircraft wings, composite wind turbine blades, and suspension bridges are all designed to meet critical performance targets while adapting to dynamic loading conditions. By monitoring the distributed shape of a flexible component, fiber optic shape sensing technology has the potential to provide valuable data during design, testing, and operation of these smart structures. This work presents a demonstration of such an extended-range fiber optic shape sensing technology. Three-dimensional distributed shape and position sensing is demonstrated over a 30m length using a monolithic silica fiber with multiple optical cores. A novel, helicallywound geometry endows the fiber with the capability to convert distributed strain measurements, made using Optical Frequency-Domain Reflectometry (OFDR), to a measurement of curvature, twist, and 3D shape along its entire length. Laboratory testing of the extended-range shape sensing technology shows

Fractal mechanisms and heart rate dynamics. Long-range correlations and their breakdown with disease

NASA Technical Reports Server (NTRS)

Peng, C. K.; Havlin, S.; Hausdorff, J. M.; Mietus, J. E.; Stanley, H. E.; Goldberger, A. L.

1995-01-01

Under healthy conditions, the normal cardiac (sinus) interbeat interval fluctuates in a complex manner. Quantitative analysis using techniques adapted from statistical physics reveals the presence of long-range power-law correlations extending over thousands of heartbeats. This scale-invariant (fractal) behavior suggests that the regulatory system generating these fluctuations is operating far from equilibrium. In contrast, it is found that for subjects at high risk of sudden death (e.g., congestive heart failure patients), these long-range correlations break down. Application of fractal scaling analysis and related techniques provides new approaches to assessing cardiac risk and forecasting sudden cardiac death, as well as motivating development of novel physiologic models of systems that appear to be heterodynamic rather than homeostatic.

Enforcing dust mass conservation in 3D simulations of tightly coupled grains with the PHANTOM SPH code

NASA Astrophysics Data System (ADS)

Ballabio, G.; Dipierro, G.; Veronesi, B.; Lodato, G.; Hutchison, M.; Laibe, G.; Price, D. J.

2018-06-01

We describe a new implementation of the one-fluid method in the SPH code PHANTOM to simulate the dynamics of dust grains in gas protoplanetary discs. We revise and extend previously developed algorithms by computing the evolution of a new fluid quantity that produces a more accurate and numerically controlled evolution of the dust dynamics. Moreover, by limiting the stopping time of uncoupled grains that violate the assumptions of the terminal velocity approximation, we avoid fatal numerical errors in mass conservation. We test and validate our new algorithm by running 3D SPH simulations of a large range of disc models with tightly and marginally coupled grains.

Femtosecond movies of water near interfaces at sub-Angstrom resolution

NASA Astrophysics Data System (ADS)

Coridan, Robert; Hwee Lai, Ghee; Schmidt, Nathan; Abbamonte, Peter; Wong, Gerard C. L.

2010-03-01

The behavior of liquid water near interfaces with nanoscopic variations in chemistry influences a broad range of phenomena in biology. Using inelastic x-ray scattering (IXS) data from 3rd-generation synchrotron x-ray sources, we reconstruct the Greens function of liquid water, which describes the å-scale spatial and femtosecond-scale temporal evolution of density fluctuations. We extend this response function formalism to reconstruct the evolution of hydration structures near dynamic surfaces with different charge distributions, in order to define more precisely the molecular signature of hydrophilicity and hydrophobicity. Moreover, we investigate modifications to surface hydration structures and dynamics as the size of hydrophilic and hydrophobic patches are varied.

Unveiling the complex network of interactions in Ionic Liquids: a combined EXAFS and Molecular Dynamics approach

NASA Astrophysics Data System (ADS)

Serva, A.; Migliorati, V.; Lapi, A.; D'Angelo, P.

2016-05-01

The structural properties of geminal dicationic ionic liquids ([Cn (mim)2]Br2)/water mixtures have been investigated by means of extended X-ray absorption fine structure (EXAFS) spectroscopy and Molecular Dynamics (MD) simulations. This synergic approach allowed us to assess the reliability of the MD results and to provide accurate structural information about the first coordination shell of the Br- ion. We found that the local environment around the anion changes as a function of the water concentration, while it is the same independently from the length of the bridge-alkyl chain. Moreover, as regards the long-range structural organization, no tail-tail aggregation occurs with increasing alkyl chain length.

Imaging and full-length biometry of the eye during accommodation using spectral domain OCT with an optical switch

PubMed Central

Ruggeri, Marco; Uhlhorn, Stephen R.; De Freitas, Carolina; Ho, Arthur; Manns, Fabrice; Parel, Jean-Marie

2012-01-01

Abstract: An optical switch was implemented in the reference arm of an extended depth SD-OCT system to sequentially acquire OCT images at different depths into the eye ranging from the cornea to the retina. A custom-made accommodation module was coupled with the delivery of the OCT system to provide controlled step stimuli of accommodation and disaccommodation that preserve ocular alignment. The changes in the lens shape were imaged and ocular distances were dynamically measured during accommodation and disaccommodation. The system is capable of dynamic in vivo imaging of the entire anterior segment and eye-length measurement during accommodation in real-time. PMID:22808424

Imaging and full-length biometry of the eye during accommodation using spectral domain OCT with an optical switch.

PubMed

Ruggeri, Marco; Uhlhorn, Stephen R; De Freitas, Carolina; Ho, Arthur; Manns, Fabrice; Parel, Jean-Marie

2012-07-01

An optical switch was implemented in the reference arm of an extended depth SD-OCT system to sequentially acquire OCT images at different depths into the eye ranging from the cornea to the retina. A custom-made accommodation module was coupled with the delivery of the OCT system to provide controlled step stimuli of accommodation and disaccommodation that preserve ocular alignment. The changes in the lens shape were imaged and ocular distances were dynamically measured during accommodation and disaccommodation. The system is capable of dynamic in vivo imaging of the entire anterior segment and eye-length measurement during accommodation in real-time.

United States Air Force Summer Faculty Research Program 1989. Program Technical Report. Volume 2

DTIC Science & Technology

1989-12-01

of an Osmotically Dr. Juin Yu Driven Thermal Transfer Cycle 114 The Influence of Viscoelastically Dr. Lawrence Zavodney Damped Members on the Dynamic...Hormones Effect Upon Dr. Rex Moyer Chlamydomonas Phototaxis 166 Influence of Radio Frequency Dr. Raymond Quock Radiation on Psychotropic Drug Effects 167...systems do not cover. Therefore, the use of SHG for creating coherent light at twice the frequency of an- other laser is one way to extend the range

Dynamics of ultralight aircraft: Motion in vertical gusts

NASA Technical Reports Server (NTRS)

Jones, R. T.

1977-01-01

Gust load calculations are extended to the range of conditions encountered by ultralight aircraft such as hang gliders. Having wing loadings of the order of 5 kg/sq m, these gliders acquire a substantial fraction of the motion of a gust within a distance of 1 or 2 m. Comparative loads and displacements for a small powered airplane having a wing loading of 50 kg sq m and for a commercial jet with 500 kg sq m are shown.

A high gain wide dynamic range transimpedance amplifier for optical receivers

NASA Astrophysics Data System (ADS)

Lianxi, Liu; Jiao, Zou; Yunfei, En; Shubin, Liu; Yue, Niu; Zhangming, Zhu; Yintang, Yang

2014-01-01

As the front-end preamplifiers in optical receivers, transimpedance amplifiers (TIAs) are commonly required to have a high gain and low input noise to amplify the weak and susceptible input signal. At the same time, the TIAs should possess a wide dynamic range (DR) to prevent the circuit from becoming saturated by high input currents. Based on the above, this paper presents a CMOS transimpedance amplifier with high gain and a wide DR for 2.5 Gbit/s communications. The TIA proposed consists of a three-stage cascade pull push inverter, an automatic gain control circuit, and a shunt transistor controlled by the resistive divider. The inductive-series peaking technique is used to further extend the bandwidth. The TIA proposed displays a maximum transimpedance gain of 88.3 dBΩ with the -3 dB bandwidth of 1.8 GHz, exhibits an input current dynamic range from 100 nA to 10 mA. The output voltage noise is less than 48.23 nV/√Hz within the -3 dB bandwidth. The circuit is fabricated using an SMIC 0.18 μm 1P6M RFCMOS process and dissipates a dc power of 9.4 mW with 1.8 V supply voltage.

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.

PubMed

Martínez, Enrique; Cawkwell, Marc J; Voter, Arthur F; Niklasson, Anders M N

2015-04-21

Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached at each time step. The thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.

On the Formation of Extended Galactic Disks by Tidally Disrupted Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Peñarrubia, Jorge; McConnachie, Alan; Babul, Arif

2006-10-01

We explore the possibility that extended disks, such as that recently discovered in M31, are the result of a single dwarf (109-1010 Msolar) satellite merger. We conduct N-body simulations of dwarf NFW halos with embedded spheroidal stellar components on coplanar, prograde orbits in an M31-like host galaxy. As the orbit decays due to dynamical friction and the system is disrupted, the stellar particles relax to form an extended, exponential-disk-like structure that spans the radial range 30-200 kpc. The disk scale length Rd correlates with the initial extent of the stellar component within the satellite halo: the more embedded the stars, the smaller the resulting disk scale length. If the progenitors start on circular orbits, the kinematics of the stars that make up the extended disk have an average rotational motion that is 30-50 km s-1 lower than the host's circular velocity. For dwarf galaxies moving on highly eccentric orbits (e~=0.7), the stellar debris exhibits a much lower rotational velocity. Our results imply that extended galactic disks might be a generic feature of the hierarchical formation of spiral galaxies such as M31 and the Milky Way.

Calibration and assessment of channel-specific biases in microarray data with extended dynamical range.

PubMed

Bengtsson, Henrik; Jönsson, Göran; Vallon-Christersson, Johan

2004-11-12

Non-linearities in observed log-ratios of gene expressions, also known as intensity dependent log-ratios, can often be accounted for by global biases in the two channels being compared. Any step in a microarray process may introduce such offsets and in this article we study the biases introduced by the microarray scanner and the image analysis software. By scanning the same spotted oligonucleotide microarray at different photomultiplier tube (PMT) gains, we have identified a channel-specific bias present in two-channel microarray data. For the scanners analyzed it was in the range of 15-25 (out of 65,535). The observed bias was very stable between subsequent scans of the same array although the PMT gain was greatly adjusted. This indicates that the bias does not originate from a step preceding the scanner detector parts. The bias varies slightly between arrays. When comparing estimates based on data from the same array, but from different scanners, we have found that different scanners introduce different amounts of bias. So do various image analysis methods. We propose a scanning protocol and a constrained affine model that allows us to identify and estimate the bias in each channel. Backward transformation removes the bias and brings the channels to the same scale. The result is that systematic effects such as intensity dependent log-ratios are removed, but also that signal densities become much more similar. The average scan, which has a larger dynamical range and greater signal-to-noise ratio than individual scans, can then be obtained. The study shows that microarray scanners may introduce a significant bias in each channel. Such biases have to be calibrated for, otherwise systematic effects such as intensity dependent log-ratios will be observed. The proposed scanning protocol and calibration method is simple to use and is useful for evaluating scanner biases or for obtaining calibrated measurements with extended dynamical range and better precision. The cross-platform R package aroma, which implements all described methods, is available for free from http://www.maths.lth.se/bioinformatics/.

Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory.

PubMed

Hirakawa, Teruo; Suzuki, Teppei; Bowler, David R; Miyazaki, Tsuyoshi

2017-10-11

We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian Born-Oppenheimer molecular dynamics (BOMD) scheme, using a linear scaling density functional theory (DFT) approach. An integration scheme for this canonical-ensemble extended Lagrangian BOMD is developed and discussed in the context of the Liouville operator formulation. Linear scaling DFT canonical-ensemble extended Lagrangian BOMD simulations are tested on bulk silicon and silicon carbide systems to evaluate our integration scheme. The results show that the conserved quantity remains stable with no systematic drift even in the presence of the thermostat.

Minimal feedback to a rhythm generator improves the robustness to slope variations of a compass biped.

PubMed

Spitz, Jonathan; Evstrachin, Alexandrina; Zacksenhouse, Miriam

2015-08-20

In recent years there has been a growing interest in the field of dynamic walking and bio-inspired robots. However, while walking and running on a flat surface have been studied extensively, walking dynamically over terrains with varying slope remains a challenge. Previously we developed an open loop controller based on a central pattern generator (CPG). The controller applied predefined torque patterns to a compass-gait biped, and achieved stable gaits over a limited range of slopes. In this work, this range is greatly extended by applying a once per cycle feedback to the CPG controller. The terrain's slope is measured and used to modify both the CPG frequency and the torque amplitude once per step. A multi-objective optimization algorithm was used to tune the controller parameters for a simulated CB model. The resulting controller successfully traverses terrains with slopes ranging from +7° to -8°, comparable to most slopes found in human constructed environments. Gait stability was verified by computing the linearized Poincaré Map both numerically and analytically.

NASA Space Cryocooler Programs: A 2003 Overview

NASA Technical Reports Server (NTRS)

Ross, R. G., Jr.; Boyle, R. F.; Kittel, P.

2004-01-01

Mechanical cryocoolers represent a significant enabling technology for NASA's Earth and Space Science missions. An overview is presented of ongoing cryocooler activities within NASA in support of current flight projects, near-term flight instruments, and long-term technology development. NASA programs in Earth and space science observe a wide range of phenomena, from crop dynamics to stellar birth. Many of the instruments require cryogenic refrigeration to improve dynamic range, extend wavelength coverage, and enable the use of advanced detectors. Although, the largest utilization of coolers over the last decade has been for instruments operating at medium to high cryogenic temperatures (55 to 150 K), reflecting the relative maturity of the technology at these temperatures, important new developments are now focusing at the lower temperature range from 4 to 20 K in support of studies of the origin of the universe and the search for planets around distant stars. NASA's development of a 20K cryocooler for the European Planck spacecraft and its new Advanced Cryocooler Technology Development Program (ACTDP) for 6-18 K coolers are examples of the thrust to provide low temperature cooling for this class of missions.

The replicator equation and other game dynamics

PubMed Central

Cressman, Ross; Tao, Yi

2014-01-01

The replicator equation is the first and most important game dynamics studied in connection with evolutionary game theory. It was originally developed for symmetric games with finitely many strategies. Properties of these dynamics are briefly summarized for this case, including the convergence to and stability of the Nash equilibria and evolutionarily stable strategies. The theory is then extended to other game dynamics for symmetric games (e.g., the best response dynamics and adaptive dynamics) and illustrated by examples taken from the literature. It is also extended to multiplayer, population, and asymmetric games. PMID:25024202

Eternal non-Markovianity: from random unitary to Markov chain realisations.

PubMed

Megier, Nina; Chruściński, Dariusz; Piilo, Jyrki; Strunz, Walter T

2017-07-25

The theoretical description of quantum dynamics in an intriguing way does not necessarily imply the underlying dynamics is indeed intriguing. Here we show how a known very interesting master equation with an always negative decay rate [eternal non-Markovianity (ENM)] arises from simple stochastic Schrödinger dynamics (random unitary dynamics). Equivalently, it may be seen as arising from a mixture of Markov (semi-group) open system dynamics. Both these approaches lead to a more general family of CPT maps, characterized by a point within a parameter triangle. Our results show how ENM quantum dynamics can be realised easily in the laboratory. Moreover, we find a quantum time-continuously measured (quantum trajectory) realisation of the dynamics of the ENM master equation based on unitary transformations and projective measurements in an extended Hilbert space, guided by a classical Markov process. Furthermore, a Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) representation of the dynamics in an extended Hilbert space can be found, with a remarkable property: there is no dynamics in the ancilla state. Finally, analogous constructions for two qubits extend these results from non-CP-divisible to non-P-divisible dynamics.

Girsanov reweighting for path ensembles and Markov state models

NASA Astrophysics Data System (ADS)

Donati, L.; Hartmann, C.; Keller, B. G.

2017-06-01

The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules. We present a method to obtain path ensemble averages of a perturbed dynamics from a set of paths generated by a reference dynamics. It is based on the concept of path probability measure and the Girsanov theorem, a result from stochastic analysis to estimate a change of measure of a path ensemble. Since Markov state models (MSMs) of the molecular dynamics can be formulated as a combined phase-space and path ensemble average, the method can be extended to reweight MSMs by combining it with a reweighting of the Boltzmann distribution. We demonstrate how to efficiently implement the Girsanov reweighting in a molecular dynamics simulation program by calculating parts of the reweighting factor "on the fly" during the simulation, and we benchmark the method on test systems ranging from a two-dimensional diffusion process and an artificial many-body system to alanine dipeptide and valine dipeptide in implicit and explicit water. The method can be used to study the sensitivity of molecular dynamics on external perturbations as well as to reweight trajectories generated by enhanced sampling schemes to the original dynamics.

Differential effects of fine root morphology on water dynamics in the root-soil interface

NASA Astrophysics Data System (ADS)

DeCarlo, K. F.; Bilheux, H.; Warren, J.

2017-12-01

Soil water uptake form plants, particularly in the rhizosphere, is a poorly understood question in the plant and soil sciences. Our study analyzed the role of belowground plant morphology on soil structural and water dynamics of 5 different plant species (juniper, grape, maize, poplar, maple), grown in sandy soils. Of these, the poplar system was extended to capture drying dynamics. Neutron radiography was used to characterize in-situ dynamics of the soil-water-plant system. A joint map of root morphology and soil moisture was created for the plant systems using digital image processing, where soil pixels were connected to associated root structures via minimum distance transforms. Results show interspecies emergent behavior - a sigmoidal relationship was observed between root diameter and bulk/rhizosphere soil water content difference. Extending this as a proxy for extent of rhizosphere development with root age, we observed a logistic growth pattern for the rhizosphere: minimal development in the early stages is superceded by rapid onset of rhizosphere formation, which then stabilizes/decays with the likely root suberization. Dynamics analysis of water content differences between the root/rhizosphere, and rhizosphere/bulk soil interface highlight the persistently higher water content in the root at all water content and root size ranges. At the rhizosphere/bulk soil interface, we observe a shift in soil water dynamics by root size: in super fine roots, we observe that water content is primarily lower in the rhizosphere under wetter conditions, which then gradually increases to a relatively higher water content under drier conditions. This shifts to a persistently higher rhizosphere water content relative to bulk soil in both wet/dry conditions with increased root size, suggesting that, by size, the finest root structures may contribute the most to total soil water uptake in plants.

Dry Rainbelts: Understanding Boundary Layer Controls on the ITCZ Using a Dry Dynamical Core

NASA Astrophysics Data System (ADS)

Hill, S. A.; Bordoni, S.; Mitchell, J.

2017-12-01

Though migrations of Earth's Intertropical Convergence Zone (ITCZ) are often interpreted in terms of meridional energy transports, a recent study using an idealized, aquaplanet GCM indicates that the ITCZ's position is also linked to the character of the boundary layer momentum budget. Namely, moist convection within the ITCZ roughly coincides with a transition in the role of relative vorticity advection in the boundary layer, from being of leading-order to lower-order importance. This is insensitive to the presence of mid-latitude eddies or thermal inertia and holds over a range of planetary rotation rates, with this transitional regime and the ITCZ extending farther poleward the slower the planet is rotating. We use an even simpler model, a dry dynamical core, to further refine the theoretical understanding of these results, via simulations analogous to and extending the aforementioned moist cases. The importance of planetary rotation and lack thereof for both baroclinic eddies and thermal inertia emerge in the dry simulations also, implying base causes rooted in simpler, steady-state, solsticial, axisymmetric, dry dynamics. We further elucidate the role of the boundary layer dynamical processes through comparison with arguments dating to at least 1972 (although largely overlooked in recent literature) that convection is forced by convergence driven by a shallowing of the boundary layer depth, with this shallowing resulting from the transition from an advective to an Ekman balance on frictional drag. We discuss the potential links between this dynamical perspective and the popular energetic framework for ITCZ migrations and the resulting implications for moist convection on Earth and other planetary bodies.

Root–root interactions: extending our perspective to be more inclusive of the range of theories in ecology and agriculture using in-vivo analyses

PubMed Central

Faget, Marc; Nagel, Kerstin A.; Walter, Achim; Herrera, Juan M.; Jahnke, Siegfried; Schurr, Ulrich; Temperton, Vicky M.

2013-01-01

Background There is a large body of literature on competitive interactions among plants, but many studies have only focused on above-ground interactions and little is known about root–root dynamics between interacting plants. The perspective on possible mechanisms that explain the outcome of root–root interactions has recently been extended to include non-resource-driven mechanisms (as well as resource-driven mechanisms) of root competition and positive interactions such as facilitation. These approaches have often suffered from being static, partly due to the lack of appropriate methodologies for in-situ non-destructive root characterization. Scope Recent studies show that interactive effects of plant neighbourhood interactions follow non-linear and non-additive paths that are hard to explain. Common outcomes such as accumulation of roots mainly in the topsoil cannot be explained solely by competition theory but require a more inclusive theoretical, as well as an improved methodological framework. This will include the question of whether we can apply the same conceptual framework to crop versus natural species. Conclusions The development of non-invasive methods to dynamically study root–root interactions in vivo will provide the necessary tools to study a more inclusive conceptual framework for root–root interactions. By following the dynamics of root–root interactions through time in a whole range of scenarios and systems, using a wide variety of non-invasive methods, (such as fluorescent protein which now allows us to separately identify the roots of several individuals within soil), we will be much better equipped to answer some of the key questions in root physiology, ecology and agronomy. PMID:23378521

Electron trapping in evolving coronal structures during a large gradual hard X-ray/radio burst

NASA Technical Reports Server (NTRS)

Bruggmann, G.; Vilmer, N.; Klein, K.-L.; Kane, S. R.

1994-01-01

Gradual hard X-ray/radio bursts are characterized by their long duration, smooth time profile, time delays between peaks at different hard X-ray energies and microwaves, and radiation from extended sources in the low and middle corona. Their characteristic properties have been ascribed to the dynamic evolution of the accelerated electrons in coronal magnetic traps or to the separate acceleration of high-energy electrons in a 'second step' process. The information available so far was drawn from quality considerations of time profiles or even only from the common occurrence of emissions in different spectral ranges. This paper presents model computations of the temporal evolution of hard X-ray and microwave spectra, together with a qualitative discussion of radio lightcurves over a wide spectral range, and metric imaging observations. The basis hypothesis investigated is that the peculiar 'gradual' features can be related to the dynamical evolution of electrons injected over an extended time interval in a coronal trap, with electrons up to relativistic energies being injected simultaneously. The analyzed event (26 April. 1981) is particularly challenging to this hypothesis because of the long time delays between peaks at different X-ray energies and microwave frequencies. The observations are shown to be consistent with the hypothesis, provided that the electrons lose their energy by Coulomb collisions and possibly betatron deceleration. The access of the electrons to different coronal structures varies in the course of the event. The evolution and likely destabilization of part of the coronal plasma-magnetic field configuration is of crucial influence in determining the access to these structures and possibly the dynamical evolution of the trapped electrons through betatron deceleration in the late phase of the event.

Design of multihundredwatt DIPS for robotic space missions

NASA Technical Reports Server (NTRS)

Bents, D. J.; Geng, S. M.; Schreiber, J. G.; Withrow, C. A.; Schmitz, P. C.; Mccomas, Thomas J.

1991-01-01

Design of a dynamic isotope power system (DIPS) general purpose heat source (GPHS) and small free piston Stirling engine (FPSE) is being pursued as a potential lower cost alternative to radioisotope thermoelectric generators (RTG's). The design is targeted at the power needs of future unmanned deep space and planetary surface exploration missions ranging from scientific probes to SEI precursor missions. These are multihundredwatt missions. The incentive for any dynamic system is that it can save fuel which reduces cost and radiological hazard. However, unlike a conventional DIPS based on turbomachinery converions, the small Stirling DIPS can be advantageously scaled to multihundred watt unit size while preserving size and weight competitiveness with RTG's. Stirling conversion extends the range where dynamic systems are competitive to hundreds of watts (a power range not previously considered for dynamic systems). The challenge of course is to demonstrate reliability similar to RTG experience. Since the competative potential of FPSE as an isotope converter was first identified, work has focused on the feasibility of directly integrating GPHS with the Stirling heater head. Extensive thermal modeling of various radiatively coupled heat source/heater head geometries were performed using data furnished by the developers of FPSE and GPHS. The analysis indicates that, for the 1050 K heater head configurations considered, GPHS fuel clad temperatures remain within safe operating limits under all conditions including shutdown of one engine. Based on these results, preliminary characterizations of multihundred watt units were established.

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

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

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.; ...

2015-04-21

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Pressure Studies of Protein Dynamics

DTIC Science & Technology

1989-02-26

infrared flash photolysis system with the monitoring light produced by a Spectra-Physics/ Laser Analytics tunable- diode laser and detected by a liquid...refrigerator. Time range extends from about 100 ms to 100 s. The diode laser current is modulated at 10 kHz and the signal is amplified with a PAR 5101...Photolysis is obtained with a Phase-R D 121OOC dye laser using rhodamine 6G (pulse 4 width 500 ns, 0.3 J). Kinetic spectra are obtained from about 10

Progress Report for the Joint Services Electronic Program for the Period April 1, 1989 through March 31, 1990 (Coordinated Science Laboratory, University of Illinois at Urbana-Champaign)

DTIC Science & Technology

1990-06-30

since the projected ion range is of the order of lattice constants. Thus, we have extended our thermal-dopant incorporation model and have developed...bombardment results in residual lattice damage, which degrades electrical and optical properties. Obviously, at sufficiently high acceleration energies...understand the details of collisional lattice dynamics and ion-induced defect for- mation and annihilation. In addition, the simulations are providing, for

A Completely Solid-State Tunable Ti:Sapphire Laser System

NASA Technical Reports Server (NTRS)

Guerra, David V.; Coyle, D. Barry; Krebs, Danny J.

1994-01-01

Compact, completely solid-state tunable pulsed laser system passively cooled developed for potential employment in aircraft and sounding-rocket lidar experiments. Ti:sapphire based laser system pumped with frequency-doubled diode-pumped Nd:YAG. Rugged, self-contained system extremely flexible and provides pulsed output at specific frequencies with low input-power requirements. In-situ measurements enables scientists to study upper-atmosphere dynamics. Tuning range easily extended to bands between 650-950 nm in order to study other atmospheric constituents.

Preparation of a pure molecular quantum gas.

PubMed

Herbig, Jens; Kraemer, Tobias; Mark, Michael; Weber, Tino; Chin, Cheng; Nägerl, Hanns-Christoph; Grimm, Rudolf

2003-09-12

An ultracold molecular quantum gas is created by application of a magnetic field sweep across a Feshbach resonance to a Bose-Einstein condensate of cesium atoms. The ability to separate the molecules from the atoms permits direct imaging of the pure molecular sample. Magnetic levitation enables study of the dynamics of the ensemble on extended time scales. We measured ultralow expansion energies in the range of a few nanokelvin for a sample of 3000 molecules. Our observations are consistent with the presence of a macroscopic molecular matter wave.

Muon spin relaxation study of spin dynamics in the extended kagome systems YBaCo 4 O 7 + δ   ( δ = 0 , 0.1 )

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

Lee, S.; Lee, Wonjun; Lee, K. J.

Here, we present muon spin relaxation (μSR) measurements of the extended kagome systems YBaCo 4O 7+δ (δ = 0,0.1), comprising two interpenetrating kagome sublattice of Co(I) 3+ (S = 3/2) and a triangle sublattice of Co(II) 2+ (S = 2). The zero- and longitudinal-field μ SR spectra of the stoichiometric compound YBaCo 4O 7 unveil that the triangular subsystem orders at TN = 101 K. In contrast, the muon spin relaxation rate pertaining to the kagome subsystem shows persistent spin dynamics down to T = 20 K and then a sublinear decrease λ(T ) ~ T 0.66(5) on cooling towardsmore » T = 4 K. In addition, the introduction of interstitial oxygen (δ = 0.1) is found to drastically affect the magnetism. For the fast-cooling experiment (>10 K/min), YBaCo 4O 7.1 enters a regime characterized by persistent spin dynamics below 90 K. For the slow-cooling experiment (1 K/min), evidence is obtained for the phase separation into interstitial oxygen-poor and oxygen-rich regions with distinct correlation times. The observed temperature, cooling rate, and oxygen content dependencies of spin dynamics are discussed in terms of a broad range of spin-spin correlation times, relying on a different degree of frustration between the kagome and triangle sublattices as well as of oxygen migration.« less

Muon spin relaxation study of spin dynamics in the extended kagome systems YBaCo 4 O 7 + δ   ( δ = 0 , 0.1 )

DOE PAGES

Lee, S.; Lee, Wonjun; Lee, K. J.; ...

2018-03-15

Here, we present muon spin relaxation (μSR) measurements of the extended kagome systems YBaCo 4O 7+δ (δ = 0,0.1), comprising two interpenetrating kagome sublattice of Co(I) 3+ (S = 3/2) and a triangle sublattice of Co(II) 2+ (S = 2). The zero- and longitudinal-field μ SR spectra of the stoichiometric compound YBaCo 4O 7 unveil that the triangular subsystem orders at TN = 101 K. In contrast, the muon spin relaxation rate pertaining to the kagome subsystem shows persistent spin dynamics down to T = 20 K and then a sublinear decrease λ(T ) ~ T 0.66(5) on cooling towardsmore » T = 4 K. In addition, the introduction of interstitial oxygen (δ = 0.1) is found to drastically affect the magnetism. For the fast-cooling experiment (>10 K/min), YBaCo 4O 7.1 enters a regime characterized by persistent spin dynamics below 90 K. For the slow-cooling experiment (1 K/min), evidence is obtained for the phase separation into interstitial oxygen-poor and oxygen-rich regions with distinct correlation times. The observed temperature, cooling rate, and oxygen content dependencies of spin dynamics are discussed in terms of a broad range of spin-spin correlation times, relying on a different degree of frustration between the kagome and triangle sublattices as well as of oxygen migration.« less

Persistent Memory in Single Node Delay-Coupled Reservoir Computing.

PubMed

Kovac, André David; Koall, Maximilian; Pipa, Gordon; Toutounji, Hazem

2016-01-01

Delays are ubiquitous in biological systems, ranging from genetic regulatory networks and synaptic conductances, to predator/pray population interactions. The evidence is mounting, not only to the presence of delays as physical constraints in signal propagation speed, but also to their functional role in providing dynamical diversity to the systems that comprise them. The latter observation in biological systems inspired the recent development of a computational architecture that harnesses this dynamical diversity, by delay-coupling a single nonlinear element to itself. This architecture is a particular realization of Reservoir Computing, where stimuli are injected into the system in time rather than in space as is the case with classical recurrent neural network realizations. This architecture also exhibits an internal memory which fades in time, an important prerequisite to the functioning of any reservoir computing device. However, fading memory is also a limitation to any computation that requires persistent storage. In order to overcome this limitation, the current work introduces an extended version to the single node Delay-Coupled Reservoir, that is based on trained linear feedback. We show by numerical simulations that adding task-specific linear feedback to the single node Delay-Coupled Reservoir extends the class of solvable tasks to those that require nonfading memory. We demonstrate, through several case studies, the ability of the extended system to carry out complex nonlinear computations that depend on past information, whereas the computational power of the system with fading memory alone quickly deteriorates. Our findings provide the theoretical basis for future physical realizations of a biologically-inspired ultrafast computing device with extended functionality.

Persistent Memory in Single Node Delay-Coupled Reservoir Computing

PubMed Central

Pipa, Gordon; Toutounji, Hazem

2016-01-01

Delays are ubiquitous in biological systems, ranging from genetic regulatory networks and synaptic conductances, to predator/pray population interactions. The evidence is mounting, not only to the presence of delays as physical constraints in signal propagation speed, but also to their functional role in providing dynamical diversity to the systems that comprise them. The latter observation in biological systems inspired the recent development of a computational architecture that harnesses this dynamical diversity, by delay-coupling a single nonlinear element to itself. This architecture is a particular realization of Reservoir Computing, where stimuli are injected into the system in time rather than in space as is the case with classical recurrent neural network realizations. This architecture also exhibits an internal memory which fades in time, an important prerequisite to the functioning of any reservoir computing device. However, fading memory is also a limitation to any computation that requires persistent storage. In order to overcome this limitation, the current work introduces an extended version to the single node Delay-Coupled Reservoir, that is based on trained linear feedback. We show by numerical simulations that adding task-specific linear feedback to the single node Delay-Coupled Reservoir extends the class of solvable tasks to those that require nonfading memory. We demonstrate, through several case studies, the ability of the extended system to carry out complex nonlinear computations that depend on past information, whereas the computational power of the system with fading memory alone quickly deteriorates. Our findings provide the theoretical basis for future physical realizations of a biologically-inspired ultrafast computing device with extended functionality. PMID:27783690

Animation control of surface motion capture.

PubMed

Tejera, Margara; Casas, Dan; Hilton, Adrian

2013-12-01

Surface motion capture (SurfCap) of actor performance from multiple view video provides reconstruction of the natural nonrigid deformation of skin and clothing. This paper introduces techniques for interactive animation control of SurfCap sequences which allow the flexibility in editing and interactive manipulation associated with existing tools for animation from skeletal motion capture (MoCap). Laplacian mesh editing is extended using a basis model learned from SurfCap sequences to constrain the surface shape to reproduce natural deformation. Three novel approaches for animation control of SurfCap sequences, which exploit the constrained Laplacian mesh editing, are introduced: 1) space–time editing for interactive sequence manipulation; 2) skeleton-driven animation to achieve natural nonrigid surface deformation; and 3) hybrid combination of skeletal MoCap driven and SurfCap sequence to extend the range of movement. These approaches are combined with high-level parametric control of SurfCap sequences in a hybrid surface and skeleton-driven animation control framework to achieve natural surface deformation with an extended range of movement by exploiting existing MoCap archives. Evaluation of each approach and the integrated animation framework are presented on real SurfCap sequences for actors performing multiple motions with a variety of clothing styles. Results demonstrate that these techniques enable flexible control for interactive animation with the natural nonrigid surface dynamics of the captured performance and provide a powerful tool to extend current SurfCap databases by incorporating new motions from MoCap sequences.

Catalytic diversity in self-propagating peptide assemblies

NASA Astrophysics Data System (ADS)

Omosun, Tolulope O.; Hsieh, Ming-Chien; Childers, W. Seth; Das, Dibyendu; Mehta, Anil K.; Anthony, Neil R.; Pan, Ting; Grover, Martha A.; Berland, Keith M.; Lynn, David G.

2017-08-01

The protein-only infectious agents known as prions exist within cellular matrices as populations of assembled polypeptide phases ranging from particles to amyloid fibres. These phases appear to undergo Darwinian-like selection and propagation, yet remarkably little is known about their accessible chemical and biological functions. Here we construct simple peptides that assemble into well-defined amyloid phases and define paracrystalline surfaces able to catalyse specific enantioselective chemical reactions. Structural adjustments of individual amino acid residues predictably control both the assembled crystalline order and their accessible catalytic repertoire. Notably, the density and proximity of the extended arrays of enantioselective catalytic sites achieve template-directed polymerization of new polymers. These diverse amyloid templates can now be extended as dynamic self-propagating templates for the construction of even more complex functional materials.

The X-33 Extended Flight Test Range

NASA Technical Reports Server (NTRS)

Mackall, Dale A.; Sakahara, Robert; Kremer, Steven E.

1998-01-01

Development of an extended test range, with range instrumentation providing continuous vehicle communications, is required to flight-test the X-33, a scaled version of a reusable launch vehicle. The extended test range provides vehicle communications coverage from California to landing at Montana or Utah. This paper provides an overview of the approaches used to meet X-33 program requirements, including using multiple ground stations, and methods to reduce problems caused by reentry plasma radio frequency blackout. The advances used to develop the extended test range show other hypersonic and access-to-space programs can benefit from the development of the extended test range.

Effects of sample injection amount and time-of-flight mass spectrometric detection dynamic range on metabolome analysis by high-performance chemical isotope labeling LC-MS.

PubMed

Zhou, Ruokun; Li, Liang

2015-04-06

The effect of sample injection amount on metabolome analysis in a chemical isotope labeling (CIL) liquid chromatography-mass spectrometry (LC-MS) platform was investigated. The performance of time-of-flight (TOF) mass spectrometers with and without a high-dynamic-range (HD) detection system was compared in the analysis of (12)C2/(13)C2-dansyl labeled human urine samples. An average of 1635 ± 21 (n = 3) peak pairs or putative metabolites was detected using the HD-TOF-MS, compared to 1429 ± 37 peak pairs from a conventional or non-HD TOF-MS. In both instruments, signal saturation was observed. However, in the HD-TOF-MS, signal saturation was mainly caused by the ionization process, while in the non-HD TOF-MS, it was caused by the detection process. To extend the MS detection range in the non-HD TOF-MS, an automated switching from using (12)C to (13)C-natural abundance peaks for peak ratio calculation when the (12)C peaks are saturated has been implemented in IsoMS, a software tool for processing CIL LC-MS data. This work illustrates that injecting an optimal sample amount is important to maximize the metabolome coverage while avoiding the sample carryover problem often associated with over-injection. A TOF mass spectrometer with an enhanced detection dynamic range can also significantly increase the number of peak pairs detected. In chemical isotope labeling (CIL) LC-MS, relative metabolite quantification is done by measuring the peak ratio of a (13)C2-/(12)C2-labeled peak pair for a given metabolite present in two comparative samples. The dynamic range of peak ratio measurement does not need to be very large, as only subtle changes of metabolite concentrations are encountered in most metabolomic studies where relative metabolome quantification of different groups of samples is performed. However, the absolute concentrations of different metabolites can be very different, requiring a technique to provide a wide detection dynamic range to allow the detection of as many peak pairs as possible. In this work, we demonstrated that controlling the sample injection amount into LC-MS was critical to achieve the optimal detectability while avoiding sample carry-over problem. In addition, the use of a high-dynamic-range TOF system increased the number of peak pairs detected, compared to a conventional TOF system. We also investigated the ionization and detection saturation factors limiting the dynamic range of detection. This article is part of a Special Issue entitled: Protein dynamics in health and disease. Guest Editors: Pierre Thibault and Anne-Claude Gingras. Copyright © 2014 Elsevier B.V. All rights reserved.

The superiority of L3-CCDs in the high-flux and wide dynamic range regimes

NASA Astrophysics Data System (ADS)

Butler, Raymond F.; Sheehan, Brendan J.

2008-02-01

Low Light Level CCD (L3-CCD) cameras have received much attention for high cadence astronomical imaging applications. Efforts to date have concentrated on exploiting them for two scenarios: post-exposure image sharpening and ``lucky imaging'', and rapid variability in astrophysically interesting sources. We demonstrate their marked superiority in a third distinct scenario: observing in the high-flux and wide dynamic range regimes. We realized that the unique features of L3-CCDs would make them ideal for maximizing signal-to-noise in observations of bright objects (whether variable or not), and for high dynamic range scenarios such as faint targets embedded in a crowded field of bright objects. Conventional CCDs have drawbacks in such regimes, due to a poor duty cycle-the combination of short exposure times (for time-series sampling or to avoid saturation) and extended readout times (for minimizing readout noise). For different telescope sizes, we use detailed models to show that a range of conventional imaging systems are photometrically out-performed across a wide range of object brightness, once the operational parameters of the L3-CCD are carefully set. The cross-over fluxes, above which the L3-CCD is operationally superior, are surprisingly faint-even for modest telescope apertures. We also show that the use of L3-CCDs is the optimum strategy for minimizing atmospheric scintillation noise in photometric observations employing a given telescope aperture. This is particularly significant, since scintillation can be the largest source of error in timeseries photometry. These results should prompt a new direction in developing imaging instrumentation solutions for observatories.

SphinX soft X-ray spectrophotometer: Science objectives, design and performance

NASA Astrophysics Data System (ADS)

Gburek, S.; Sylwester, J.; Kowalinski, M.; Bakala, J.; Kordylewski, Z.; Podgorski, P.; Plocieniak, S.; Siarkowski, M.; Sylwester, B.; Trzebinski, W.; Kuzin, S. V.; Pertsov, A. A.; Kotov, Yu. D.; Farnik, F.; Reale, F.; Phillips, K. J. H.

2011-06-01

The goals and construction details of a new design Polish-led X-ray spectrophotometer are described. The instrument is aimed to observe emission from entire solar corona and is placed as a separate block within the Russian TESIS X- and EUV complex aboard the CORONAS-PHOTON solar orbiting observatory. SphinX uses silicon PIN diode detectors for high time resolution measurements of the solar spectra in the range 0.8-15 keV. Its spectral resolution allows for discerning more than hundred separate energy bands in this range. The instrument dynamic range extends two orders of magnitude below and above these representative for GOES. The relative and absolute accuracy of spectral measurements is expected to be better than few percent, as follows from extensive ground laboratory calibrations.

Dynamical Analysis and Visualization of Tornadoes Time Series

PubMed Central

2015-01-01

In this paper we analyze the behavior of tornado time-series in the U.S. from the perspective of dynamical systems. A tornado is a violently rotating column of air extending from a cumulonimbus cloud down to the ground. Such phenomena reveal features that are well described by power law functions and unveil characteristics found in systems with long range memory effects. Tornado time series are viewed as the output of a complex system and are interpreted as a manifestation of its dynamics. Tornadoes are modeled as sequences of Dirac impulses with amplitude proportional to the events size. First, a collection of time series involving 64 years is analyzed in the frequency domain by means of the Fourier transform. The amplitude spectra are approximated by power law functions and their parameters are read as an underlying signature of the system dynamics. Second, it is adopted the concept of circular time and the collective behavior of tornadoes analyzed. Clustering techniques are then adopted to identify and visualize the emerging patterns. PMID:25790281

Dynamical analysis and visualization of tornadoes time series.

PubMed

Lopes, António M; Tenreiro Machado, J A

2015-01-01

In this paper we analyze the behavior of tornado time-series in the U.S. from the perspective of dynamical systems. A tornado is a violently rotating column of air extending from a cumulonimbus cloud down to the ground. Such phenomena reveal features that are well described by power law functions and unveil characteristics found in systems with long range memory effects. Tornado time series are viewed as the output of a complex system and are interpreted as a manifestation of its dynamics. Tornadoes are modeled as sequences of Dirac impulses with amplitude proportional to the events size. First, a collection of time series involving 64 years is analyzed in the frequency domain by means of the Fourier transform. The amplitude spectra are approximated by power law functions and their parameters are read as an underlying signature of the system dynamics. Second, it is adopted the concept of circular time and the collective behavior of tornadoes analyzed. Clustering techniques are then adopted to identify and visualize the emerging patterns.

Motion-Compensated Compression of Dynamic Voxelized Point Clouds.

PubMed

De Queiroz, Ricardo L; Chou, Philip A

2017-05-24

Dynamic point clouds are a potential new frontier in visual communication systems. A few articles have addressed the compression of point clouds, but very few references exist on exploring temporal redundancies. This paper presents a novel motion-compensated approach to encoding dynamic voxelized point clouds at low bit rates. A simple coder breaks the voxelized point cloud at each frame into blocks of voxels. Each block is either encoded in intra-frame mode or is replaced by a motion-compensated version of a block in the previous frame. The decision is optimized in a rate-distortion sense. In this way, both the geometry and the color are encoded with distortion, allowing for reduced bit-rates. In-loop filtering is employed to minimize compression artifacts caused by distortion in the geometry information. Simulations reveal that this simple motion compensated coder can efficiently extend the compression range of dynamic voxelized point clouds to rates below what intra-frame coding alone can accommodate, trading rate for geometry accuracy.

Understanding the plume dynamics of explosive super-eruptions.

PubMed

Costa, Antonio; J Suzuki, Yujiro; Koyaguchi, Takehiro

2018-02-13

Explosive super-eruptions can erupt up to thousands of km 3 of magma with extremely high mass flow rates (MFR). The plume dynamics of these super-eruptions are still poorly understood. To understand the processes operating in these plumes we used a fluid-dynamical model to simulate what happens at a range of MFR, from values generating intense Plinian columns, as did the 1991 Pinatubo eruption, to upper end-members resulting in co-ignimbrite plumes like Toba super-eruption. Here, we show that simple extrapolations of integral models for Plinian columns to those of super-eruption plumes are not valid and their dynamics diverge from current ideas of how volcanic plumes operate. The different regimes of air entrainment lead to different shaped plumes. For the upper end-members can generate local up-lifts above the main plume (over-plumes). These over-plumes can extend up to the mesosphere. Injecting volatiles into such heights would amplify their impact on Earth climate and ecosystems.

Crossing the threshold

NASA Astrophysics Data System (ADS)

Bush, John; Tambasco, Lucas

2017-11-01

First, we summarize the circumstances in which chaotic pilot-wave dynamics gives rise to quantum-like statistical behavior. For ``closed'' systems, in which the droplet is confined to a finite domain either by boundaries or applied forces, quantum-like features arise when the persistence time of the waves exceeds the time required for the droplet to cross its domain. Second, motivated by the similarities between this hydrodynamic system and stochastic electrodynamics, we examine the behavior of a bouncing droplet above the Faraday threshold, where a stochastic element is introduced into the drop dynamics by virtue of its interaction with a background Faraday wave field. With a view to extending the dynamical range of pilot-wave systems to capture more quantum-like features, we consider a generalized theoretical framework for stochastic pilot-wave dynamics in which the relative magnitudes of the drop-generated pilot-wave field and a stochastic background field may be varied continuously. We gratefully acknowledge the financial support of the NSF through their CMMI and DMS divisions.

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

Tamanini, Nicola; Wright, Matthew, E-mail: nicola.tamanini@cea.fr, E-mail: matthew.wright.13@ucl.ac.uk

We investigate the cosmological dynamics of the recently proposed extended chameleon models at both background and linear perturbation levels. Dynamical systems techniques are employed to fully characterize the evolution of the universe at the largest distances, while structure formation is analysed at sub-horizon scales within the quasi-static approximation. The late time dynamical transition from dark matter to dark energy domination can be well described by almost all extended chameleon models considered, with no deviations from ΛCDM results at both background and perturbation levels. The results obtained in this work confirm the cosmological viability of extended chameleons as alternative dark energymore » models.« less

Evacuation dynamics with smoking diffusion in three dimension based on an extended Floor-Field model

NASA Astrophysics Data System (ADS)

Zheng, Ying; Li, Xingang; Zhu, Nuo; Jia, Bin; Jiang, Rui

2018-10-01

This paper proposes an extended Floor-Field (FF) model to study the pedestrian evacuation dynamics under the influence of smoke diffusing in three-dimension (3D). In addition to static and dynamic fields, the extended model adopts the smoke and herding fields to reflect pedestrian's smoke-avoiding behavior and herding behavior. The impact of smoke on pedestrians' health is also considered. The smoke will reduce the pedestrians' health point and finally impact their moving ability. Numerical simulations were carried out to study the evacuation dynamics. The influence of the smoke particles producing rate, the initial health point, the critical smoke concentration value, and the herding field on evacuation dynamics were analyzed in detail. Those results could bring some guidance to make the evacuation strategy in the smoke diffusing environment.

Short-Term Plasticity in a Computational Model of the Tail-Withdrawal Circuit in Aplysia

PubMed Central

Baxter, Douglas A.; Byrne, John H.

2007-01-01

The tail-withdrawal circuit of Aplysia provides a useful model system for investigating synaptic dynamics. Sensory neurons within the circuit manifest several forms of synaptic plasticity. Here, we developed a model of the circuit and investigated the ways in which depression (DEP) and potentiation (POT) contributed to information processing. DEP limited the amount of motor neuron activity that could be elicited by the monosynaptic pathway alone. POT within the monosynaptic pathway did not compensate for DEP. There was, however, a synergistic interaction between POT and the polysynaptic pathway. This synergism extended the dynamic range of the network, and the interplay between DEP and POT made the circuit responded preferentially to long-duration, low-frequency inputs. PMID:17957237

Fast internal dynamics in alcohol dehydrogenase

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

Monkenbusch, M.; Stadler, A., E-mail: a.stadler@fz-juelich.de; Biehl, R.

2015-08-21

Large-scale domain motions in alcohol dehydrogenase (ADH) have been observed previously by neutron spin-echo spectroscopy (NSE). We have extended the investigation on the dynamics of ADH in solution by using high-resolution neutron time-of-flight (TOF) and neutron backscattering (BS) spectroscopy in the incoherent scattering range. The observed hydrogen dynamics were interpreted in terms of three mobility classes, which allowed a simultaneous description of the measured TOF and BS spectra. In addition to the slow global protein diffusion and domain motions observed by NSE, a fast internal process could be identified. Around one third of the protons in ADH participate in themore » fast localized diffusive motion. The diffusion coefficient of the fast internal motions is around two third of the value of the surrounding D{sub 2}O solvent. It is tempting to associate the fast internal process with solvent exposed amino acid residues with dangling side chains.« less

Solution x-ray scattering and structure formation in protein dynamics

NASA Astrophysics Data System (ADS)

Nasedkin, Alexandr; Davidsson, Jan; Niemi, Antti J.; Peng, Xubiao

2017-12-01

We propose a computationally effective approach that builds on Landau mean-field theory in combination with modern nonequilibrium statistical mechanics to model and interpret protein dynamics and structure formation in small- to wide-angle x-ray scattering (S/WAXS) experiments. We develop the methodology by analyzing experimental data in the case of Engrailed homeodomain protein as an example. We demonstrate how to interpret S/WAXS data qualitatively with a good precision and over an extended temperature range. We explain experimental observations in terms of protein phase structure, and we make predictions for future experiments and for how to analyze data at different ambient temperature values. We conclude that the approach we propose has the potential to become a highly accurate, computationally effective, and predictive tool for analyzing S/WAXS data. For this, we compare our results with those obtained previously in an all-atom molecular dynamics simulation.

Dust arcs in the region of Jupiter's Trojan asteroids

NASA Astrophysics Data System (ADS)

Liu, Xiaodong; Schmidt, Jürgen

2018-01-01

Aims: The surfaces of the Trojan asteroids are steadily bombarded by interplanetary micrometeoroids, which releases ejecta of small dust particles. These particles form the faint dust arcs that are associated with asteroid clouds. Here we analyze the particle dynamics and structure of the arc in the region of the L4 Trojan asteroids. Methods: We calculate the total cross section of the L4 Trojan asteroids and the production rate of dust particles. The motion of the particles is perturbed by a variety of forces. We simulate the dynamical evolution of the dust particles, and explore the overall features of the Trojan dust arc. Results: The simulations show that the arc is mainly composed of grains in the size range 4-10 microns. Compared to the L4 Trojan asteroids, the dust arc is distributed more widely in the azimuthal direction, extending to a range of [30, 120] degrees relative to Jupiter. The peak number density does not develop at L4. There exist two peaks that are azimuthally displaced from L4.

Position Estimation for Projectiles Using Low-cost Sensors and Flight Dynamics

DTIC Science & Technology

2012-04-01

GPS/INS Loose-coupling Parameter Estimation ............................................................6 2.6 Extended Kalman Filter ...environment using low-cost measurement devices and projectile flight dynamics. An extended Kalman filter (EKF) was developed to blend accelerometer...kGPSIbias B GPSIkGPSIbias B GPSIGPSIbias B aρaρa ,,1,,, 1    (15) 7 2.6 Extended Kalman Filter A sequential EKF was used to combine

Direct electron transfer of glucose oxidase-boron doped diamond interface: a new solution for a classical problem.

PubMed

Bai, Yan-Feng; Xu, Tai-Bin; Luong, John H T; Cui, Hui-Fang

2014-05-20

A planar boron-doped diamond (BDD) electrode was treated with KOH and functionalized with 3-aminopropyltriethoxysilane (APTES) to serve as a biosensing platform for biomolecule immobilization with glucose oxidase (GOx) as a test model. The free amino groups of GOx and APTES were cross-linked by glutaraldehyde (X), a bifunctional chemical to form a stable enzyme layer (GOx-X-APTES) on BDD. Micrographs obtained by scanning electron microscopy revealed that a mesoporous structure uniformly covered the BDD surface. Cyclic voltammetry of GOx immobilized showed a pair of well-defined redox peaks in neutral phosphate buffer solution, corresponding to the direct electron transfer of GOx. The apparent heterogeneous electron transfer rate constant of the immobilized GOx was estimated to be 8.85 ± 0.47 s(-1), considerably higher than the literature reported values. The determination of glucose was carried out by amperometry at -0.40 V, and the developed biosensor showed good reproducibility and stability with a detection limit of 20 μM. Both ascorbic and uric acids at normal physiological conditions did not provoke any signals. The dynamic range of glucose detection was further extended by covering the enzyme electrode with a thin Nafion layer. The Nafion/GOx-X-APTES/BDD biosensor showed excellent stability, a detection limit of 30 μM, a linear range between 35 μM and 8 mM, and a dynamic range up to 14 mM. Such analytical performances were compared favorably with other complicated sensing schemes using nanomaterials, redox polymers, and nanowires. The APTES-functionalized BDD could be easily extended to immobilize other redox enzymes or proteins of interests.

Simulative method for determining the optimal operating conditions for a cooling plate for lithium-ion battery cell modules

NASA Astrophysics Data System (ADS)

Smith, Joshua; Hinterberger, Michael; Hable, Peter; Koehler, Juergen

2014-12-01

Extended battery system lifetime and reduced costs are essential to the success of electric vehicles. An effective thermal management strategy is one method of enhancing system lifetime increasing vehicle range. Vehicle-typical space restrictions favor the minimization of battery thermal management system (BTMS) size and weight, making their production and subsequent vehicle integration extremely difficult and complex. Due to these space requirements, a cooling plate as part of a water-glycerol cooling circuit is commonly implemented. This paper presents a computational fluid dynamics (CFD) model and multi-objective analysis technique for determining the thermal effect of coolant flow rate and inlet temperature in a cooling plate-at a range of vehicle operating conditions-on a battery system, thereby providing a dynamic input for one-dimensional models. Traditionally, one-dimensional vehicular thermal management system models assume a static heat input from components such as a battery system: as a result, the components are designed for a set coolant input (flow rate and inlet temperature). Such a design method is insufficient for dynamic thermal management models and control strategies, thereby compromising system efficiency. The presented approach allows for optimal BMTS design and integration in the vehicular coolant circuit.

Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole

NASA Astrophysics Data System (ADS)

Li, Shaohong L.; Truhlar, Donald G.

2017-02-01

Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way. The fit is accomplished by the anchor points reactive potential method with two reactive coordinates and 40 nonreactive degrees of freedom, where the anchor-point force fields are obtained with a locally modified version of the QuickFF package. The PESs and couplings are suitable for study of the topography of the trilayer potential energy landscape and for electronically nonadiabatic molecular dynamics simulations of the photodissociation of the S-CH3 bond.

The wave attenuation mechanism of the periodic local resonant metamaterial

NASA Astrophysics Data System (ADS)

Chang, I.-Ling; Liang, Zhen-Xian; Kao, Hao-Wei; Chang, Shih-Hsiang; Yang, Chih-Ying

2018-01-01

This research discusses the wave propagation behavior and attenuation mechanism of the elastic metamaterial with locally resonant sub-structure. The dispersion relation of the single resonance system, i.e., periodic spring mass system with sub-structure, could be derived based on lattice dynamics and the band gap could be easily identified. The dynamically equivalent properties, i.e., mass and elastic property, of the single resonance system are derived and found to be frequency dependent. Negative effective properties are found in the vicinity of the local resonance. It is examined whether the band gap always coincides with the frequency range of negative effective properties. The wave attenuation mechanism and the characteristic dynamic behavior of the elastic metamaterial are also studied from the energy point of view. From the analysis, it is clarified that the coupled Bragg-resonance band gap is much wider than the narrow-banded local resonance and the corresponding effective material properties at band gap could be either positive or negative. However, the band gap is totally overlapping with the frequency range of negative effective properties for the metamaterial with band gap purely caused by local resonance. The presented analysis can be extended to other forms of elastic metamaterials involving periodic resonator structures.

Finite-temperature time-dependent variation with multiple Davydov states

NASA Astrophysics Data System (ADS)

Wang, Lu; Fujihashi, Yuta; Chen, Lipeng; Zhao, Yang

2017-03-01

The Dirac-Frenkel time-dependent variational approach with Davydov Ansätze is a sophisticated, yet efficient technique to obtain an accurate solution to many-body Schrödinger equations for energy and charge transfer dynamics in molecular aggregates and light-harvesting complexes. We extend this variational approach to finite temperature dynamics of the spin-boson model by adopting a Monte Carlo importance sampling method. In order to demonstrate the applicability of this approach, we compare calculated real-time quantum dynamics of the spin-boson model with that from numerically exact iterative quasiadiabatic propagator path integral (QUAPI) technique. The comparison shows that our variational approach with the single Davydov Ansätze is in excellent agreement with the QUAPI method at high temperatures, while the two differ at low temperatures. Accuracy in dynamics calculations employing a multitude of Davydov trial states is found to improve substantially over the single Davydov Ansatz, especially at low temperatures. At a moderate computational cost, our variational approach with the multiple Davydov Ansatz is shown to provide accurate spin-boson dynamics over a wide range of temperatures and bath spectral densities.

Multi-frame X-ray Phase Contrast Imaging (MPCI) for Dynamic Experiments

NASA Astrophysics Data System (ADS)

Iverson, Adam; Carlson, Carl; Sanchez, Nathaniel; Jensen, Brian

2017-06-01

Recent advances in coupling synchrotron X-ray diagnostics to dynamic experiments are providing new information about the response of materials at extremes. For example, propagation based X-ray Phase Contrast Imaging (PCI) which is sensitive to differences in density has been successfully used to study a wide range of phenomena, e.g. jet-formation, compression of additive manufactured (AM) materials, and detonator dynamics. In this talk, we describe the current multi-frame X-ray phase contrast imaging (MPCI) system which allows up to eight frames per experiment, remote optimization, and an improved optical design that increases optical efficiency and accommodates dual-magnification during a dynamic event. Data will be presented that used the dual-magnification feature to obtain multiple images of an exploding foil initiator. In addition, results from static testing will be presented that used a multiple scintillator configuration required to extend the density retrieval to multi-constituent, or heterogeneous systems. The continued development of this diagnostic is fundamentally important to capabilities at the APS including IMPULSE and the Dynamic Compression Sector (DCS), and will benefit future facilities such as MaRIE at Los Alamos National Laboratory.

Molecular Dynamics Simulations of Ion Transport and Mechanisms in Polymer Nanocomposites

NASA Astrophysics Data System (ADS)

Mogurampelly, Santosh; Ganesan, Venkat

2015-03-01

Using all atom molecular dynamics and trajectory-extending kinetic Monte Carlo simulations, we study the influence of Al2O3 nanoparticles on the transport properties of Li+ ions in polymer electrolytes consisting of polyethylene oxide (PEO) melt solvated with LiBF4 salt. We observe that the nanoparticles have a strong influence on polymer segmental dynamics which in turn correlates with the mobility of Li+ ions. Explicitly, polymer segmental relaxation times and Li+ ion residence times around polymer were found to increase with the addition of nanoparticles. We also observe that increasing short range repulsive interactions between nanoparticles and polymer membrane leads to increasing polymer dynamics and ion mobility. Overall, our simulation results suggest that nanoparticle induced changes in conformational and dynamic properties of the polymer influences the ion mobilities in polymer electrolytes and suggests possible directions for using such findings to improve the polymer matrix conductivity. The authors acknowledge the Texas Advanced Computing Center (TACC) at The University of Texas at Austin for providing computing resources that have contributed to the research.

Extending the Measurement Range of AN Optical Surface Profiler.

NASA Astrophysics Data System (ADS)

Cochran, Eugene Rowland, III

This dissertation investigates a method for extending the measurement range of an optical surface profiling instrument. The instrument examined in these experiments is a computer -controlled phase-modulated interference microscope. Because of its ability to measure surfaces with a high degree of vertical resolution as well as excellent lateral resolution, this instrument is one of the most favorable candidates for determining the microtopography of optical surfaces. However, the data acquired by the instrument are restricted to a finite lateral and vertical range. To overcome this restriction, the feasibility of a new testing technique is explored. By overlapping a series of collinear profiles the limited field of view of this instrument can be increased and profiles that contain longer surface wavelengths can be examined. This dissertation also presents a method to augment both the vertical and horizontal dynamic range of the surface profiler by combining multiple subapertures and two-wavelength techniques. The theory, algorithms, error sources, and limitations encountered when concatenating a number of profiles are presented. In particular, the effects of accumulated piston and tilt errors on a measurement are explored. Some practical considerations for implementation and integration into an existing system are presented. Experimental findings and results of Monte Carlo simulations are also studied to explain the effects of random noise, lateral position errors, and defocus across the CCD array on measurement results. These results indicate the extent to which the field of view of the profiler may be augmented. A review of current methods of measuring surface topography is included, to provide for a more coherent text, along with a summary of pertinent measurement parameters for surface characterization. This work concludes with recommendations for future work that would make subaperture -testing techniques more reliable for measuring the microsurface structure of a material over an extended region.

Oligonucleotide-functionalized gold nanoparticles-enhanced QCM-D sensor for mercury(II) ions with high sensitivity and tunable dynamic range.

PubMed

Chen, Qiang; Wu, Xiaojie; Wang, Dingzhong; Tang, Wei; Li, Na; Liu, Feng

2011-06-21

A quartz crystal microbalance with dissipation monitoring (QCM-D) sensor was developed for highly sensitive and specific detection of mercury(II) ions (Hg(2+)) with a tunable dynamic range, using oligonucleotide-functionalized gold nanoparticles (GNPs) for both frequency and dissipation amplification. The fabrication of the sensor employed a 'sandwich-type' strategy, and formation of T-Hg(2+)-T structures in linker DNA reduced the hybridization of the GNPs-tagged DNA on the gold electrode, which could be used as the molecular switch for Hg(2+) sensing. This QCM-D mercury sensor showed a linear response of 10-200 nM, with detection limits of 4 nM and 7 nM for frequency and dissipation measurements, respectively. Moreover, the dynamic range of the sensor could be tuned by simply altering the concentration of linker DNA without designing new sensors in the cases where detection of Hg(2+) at different levels is required. This sensor afforded excellent selectivity toward Hg(2+) compared with other potential coexisting metal ions. The feasibility of the sensor was demonstrated by analyzing Hg(2+)-spiked tap- and lake-water samples with satisfactory recoveries. The proposed approach extended the application of the QCM-D system in metal ions sensing, and could be adopted for the detection of other analytes when complemented with the use of functional DNA structures.

High-dynamic-range coherent diffractive imaging: ptychography using the mixed-mode pixel array detector

PubMed Central

Giewekemeyer, Klaus; Philipp, Hugh T.; Wilke, Robin N.; Aquila, Andrew; Osterhoff, Markus; Tate, Mark W.; Shanks, Katherine S.; Zozulya, Alexey V.; Salditt, Tim; Gruner, Sol M.; Mancuso, Adrian P.

2014-01-01

Coherent (X-ray) diffractive imaging (CDI) is an increasingly popular form of X-ray microscopy, mainly due to its potential to produce high-resolution images and the lack of an objective lens between the sample and its corresponding imaging detector. One challenge, however, is that very high dynamic range diffraction data must be collected to produce both quantitative and high-resolution images. In this work, hard X-ray ptychographic coherent diffractive imaging has been performed at the P10 beamline of the PETRA III synchrotron to demonstrate the potential of a very wide dynamic range imaging X-ray detector (the Mixed-Mode Pixel Array Detector, or MM-PAD). The detector is capable of single photon detection, detecting fluxes exceeding 1 × 108 8-keV photons pixel−1 s−1, and framing at 1 kHz. A ptychographic reconstruction was performed using a peak focal intensity on the order of 1 × 1010 photons µm−2 s−1 within an area of approximately 325 nm × 603 nm. This was done without need of a beam stop and with a very modest attenuation, while ‘still’ images of the empty beam far-field intensity were recorded without any attenuation. The treatment of the detector frames and CDI methodology for reconstruction of non-sensitive detector regions, partially also extending the active detector area, are described. PMID:25178008

High-dynamic-range coherent diffractive imaging: ptychography using the mixed-mode pixel array detector.

PubMed

Giewekemeyer, Klaus; Philipp, Hugh T; Wilke, Robin N; Aquila, Andrew; Osterhoff, Markus; Tate, Mark W; Shanks, Katherine S; Zozulya, Alexey V; Salditt, Tim; Gruner, Sol M; Mancuso, Adrian P

2014-09-01

Coherent (X-ray) diffractive imaging (CDI) is an increasingly popular form of X-ray microscopy, mainly due to its potential to produce high-resolution images and the lack of an objective lens between the sample and its corresponding imaging detector. One challenge, however, is that very high dynamic range diffraction data must be collected to produce both quantitative and high-resolution images. In this work, hard X-ray ptychographic coherent diffractive imaging has been performed at the P10 beamline of the PETRA III synchrotron to demonstrate the potential of a very wide dynamic range imaging X-ray detector (the Mixed-Mode Pixel Array Detector, or MM-PAD). The detector is capable of single photon detection, detecting fluxes exceeding 1 × 10(8) 8-keV photons pixel(-1) s(-1), and framing at 1 kHz. A ptychographic reconstruction was performed using a peak focal intensity on the order of 1 × 10(10) photons µm(-2) s(-1) within an area of approximately 325 nm × 603 nm. This was done without need of a beam stop and with a very modest attenuation, while `still' images of the empty beam far-field intensity were recorded without any attenuation. The treatment of the detector frames and CDI methodology for reconstruction of non-sensitive detector regions, partially also extending the active detector area, are described.

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.

2014-11-01

Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed C u64.5Z r35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) and Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. By mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

Comprehensive representation of the Lennard-Jones equation of state based on molecular dynamics simulation data

NASA Astrophysics Data System (ADS)

Pieprzyk, S.; Brańka, A. C.; Maćkowiak, Sz.; Heyes, D. M.

2018-03-01

The equation of state (EoS) of the Lennard-Jones fluid is calculated using a new set of molecular dynamics data which extends to higher temperature than in previous studies. The modified Benedict-Webb-Rubin (MBWR) equation, which goes up to ca. T ˜ 6, is reparametrized with new simulation data. A new analytic form for the EoS, which breaks the fluid range into two regions with different analytic forms and goes up to ca. T ≃ 35, is also proposed. The accuracy of the new formulas is at least as good as the MBWR fit and goes to much higher temperature allowing it to now encompass the Amagat line. The fitted formula extends into the high temperature range where the system can be well represented by inverse power potential scaling, which means that our specification of the equation of state covers the entire (ρ, T) plane. Accurate analytic fit formulas for the Boyle, Amagat, and inversion curves are presented. Parametrizations of the extrema loci of the isochoric, CV, and isobaric, CP, heat capacities are given. As found by others, a line maxima of CP terminates in the critical point region, and a line of minima of CP terminates on the freezing line. The line of maxima of CV terminates close to or at the critical point, and a line of minima of CV terminates to the right of the critical point. No evidence for a divergence in CV in the critical region is found.

Correlation range in a supercooled liquid via Green-Kubo expression for viscosity, local atomic stresses, and MD simulations

NASA Astrophysics Data System (ADS)

Levashov, Valentin A.; Egami, Takeshi; Morris, James R.

2009-03-01

We present a new approach to the issue of correlation range in supercooled liquids based on Green-Kubo expression for viscosity. The integrand of this expression is the average stress-stress autocorrelation function. This correlation function could be rewritten in terms of correlations among local atomic stresses at different times and distances. The features of the autocorrelation function decay with time depend on temperature and correlation range. Through this approach we can study the development of spatial correlation with time, thus directly addressing the question of dynamic heterogeneity. We performed MD simulations on a single component system of particles interacting through short range pair potential. Our results indicate that even above the crossover temperature correlations extend well beyond the nearest neighbors. Surprisingly we found that the system size effects exist even on relatively large systems. We also address the role of diffusion in decay of stress-stress correlation function.

Long-range ordered vorticity patterns in living tissue induced by cell division

NASA Astrophysics Data System (ADS)

Rossen, Ninna S.; Tarp, Jens M.; Mathiesen, Joachim; Jensen, Mogens H.; Oddershede, Lene B.

2014-12-01

In healthy blood vessels with a laminar blood flow, the endothelial cell division rate is low, only sufficient to replace apoptotic cells. The division rate significantly increases during embryonic development and under halted or turbulent flow. Cells in barrier tissue are connected and their motility is highly correlated. Here we investigate the long-range dynamics induced by cell division in an endothelial monolayer under non-flow conditions, mimicking the conditions during vessel formation or around blood clots. Cell divisions induce long-range, well-ordered vortex patterns extending several cell diameters away from the division site, in spite of the system’s low Reynolds number. Our experimental results are reproduced by a hydrodynamic continuum model simulating division as a local pressure increase corresponding to a local tension decrease. Such long-range physical communication may be crucial for embryonic development and for healing tissue, for instance around blood clots.

Next Generation Extended Lagrangian Quantum-based Molecular Dynamics

NASA Astrophysics Data System (ADS)

Negre, Christian

2017-06-01

A new framework for extended Lagrangian first-principles molecular dynamics simulations is presented, which overcomes shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while maintaining important advantages of the unified extended Lagrangian formulation of density functional theory pioneered by Car and Parrinello three decades ago. The new framework allows, for the first time, energy conserving, linear-scaling Born-Oppenheimer molecular dynamics simulations, which is necessary to study larger and more realistic systems over longer simulation times than previously possible. Expensive, self-consinstent-field optimizations are avoided and normal integration time steps of regular, direct Born-Oppenheimer molecular dynamics can be used. Linear scaling electronic structure theory is presented using a graph-based approach that is ideal for parallel calculations on hybrid computer platforms. For the first time, quantum based Born-Oppenheimer molecular dynamics simulation is becoming a practically feasible approach in simulations of +100,000 atoms-representing a competitive alternative to classical polarizable force field methods. In collaboration with: Anders Niklasson, Los Alamos National Laboratory.

Extended Kalman Doppler tracking and model determination for multi-sensor short-range radar

NASA Astrophysics Data System (ADS)

Mittermaier, Thomas J.; Siart, Uwe; Eibert, Thomas F.; Bonerz, Stefan

2016-09-01

A tracking solution for collision avoidance in industrial machine tools based on short-range millimeter-wave radar Doppler observations is presented. At the core of the tracking algorithm there is an Extended Kalman Filter (EKF) that provides dynamic estimation and localization in real-time. The underlying sensor platform consists of several homodyne continuous wave (CW) radar modules. Based on In-phase-Quadrature (IQ) processing and down-conversion, they provide only Doppler shift information about the observed target. Localization with Doppler shift estimates is a nonlinear problem that needs to be linearized before the linear KF can be applied. The accuracy of state estimation depends highly on the introduced linearization errors, the initialization and the models that represent the true physics as well as the stochastic properties. The important issue of filter consistency is addressed and an initialization procedure based on data fitting and maximum likelihood estimation is suggested. Models for both, measurement and process noise are developed. Tracking results from typical three-dimensional courses of movement at short distances in front of a multi-sensor radar platform are presented.

Cycle expansions: From maps to turbulence

NASA Astrophysics Data System (ADS)

Lan, Y.

2010-03-01

We present a derivation, a physical explanation and applications of cycle expansions in different dynamical systems, ranging from simple one-dimensional maps to turbulence in fluids. Cycle expansion is a newly devised powerful tool for computing averages of physical observables in nonlinear chaotic systems which combines many innovative ideas developed in dynamical systems, such as hyperbolicity, invariant manifolds, symbolic dynamics, measure theory and thermodynamic formalism. The concept of cycle expansion has a deep root in theoretical physics, bearing a close analogy to cumulant expansion in statistical physics and effective action functional in quantum field theory, the essence of which is to represent a physical system in a hierarchical way by utilizing certain multiplicative structures such that the dominant parts of physical observables are captured by compact, maneuverable objects while minor detailed variations are described by objects with a larger space and time scale. The technique has been successfully applied to many low-dimensional dynamical systems and much effort has recently been made to extend its use to spatially extended systems. For one-dimensional systems such as the Kuramoto-Sivashinsky equation, the method turns out to be very effective while for more complex real-world systems including the Navier-Stokes equation, the method is only starting to yield its first fruits and much more work is needed to enable practical computations. However, the experience and knowledge accumulated so far is already very useful to a large set of research problems. Several such applications are briefly described in what follows. As more research effort is devoted to the study of complex dynamics of nonlinear systems, cycle expansion will undergo a fast development and find wide applications.

Role of short-range correlation in facilitation of wave propagation in a long-range ladder chain

NASA Astrophysics Data System (ADS)

Farzadian, O.; Niry, M. D.

2018-09-01

We extend a new method for generating a random chain, which has a kind of short-range correlation induced by a repeated sequence while retaining long-range correlation. Three distinct methods are considered to study the localization-delocalization transition of mechanical waves in one-dimensional disordered media with simultaneous existence of short and long-range correlation. First, a transfer-matrix method was used to calculate numerically the localization length of a wave in a binary chain. We found that the existence of short-range correlation in a long-range correlated chain can increase the localization length at the resonance frequency Ωc. Then, we carried out an analytical study of the delocalization properties of the waves in correlated disordered media around Ωc. Finally, we apply a dynamical method based on the direct numerical simulation of the wave equation to study the propagation of waves in the correlated chain. Imposing short-range correlation on the long-range background will lead the propagation to super-diffusive transport. The results obtained with all three methods are in agreement with each other.

Swept-source based, single-shot, multi-detectable velocity range Doppler optical coherence tomography

PubMed Central

Meemon, Panomsak; Rolland, Jannick P.

2010-01-01

Phase-Resolved Doppler Optical Coherence Tomography (PR-DOCT) allows visualization and characterization of the location, direction, velocity, and profile of flow activity embedded in a static sample structure. The detectable Velocity Dynamic Range (VDR) of each particular PR-DOCT system is governed by a detectable Doppler phase shift, a flow angle, and an acquisition time interval used to determine the Doppler phase shift. In general, the lower boundary of the detectable Doppler phase shift is limited by the phase stability of the system, while the upper boundary is limited by the π phase ambiguity. For a given range of detectable Doppler phase shift, shortening the acquisition duration will increase not only the maximum detectable velocity but unfortunately also the minimum detectable velocity, which may lead to the invisibility of a slow flow. In this paper, we present an alternative acquisition scheme for PR-DOCT that extends the lower limit of the velocity dynamic range, while maintaining the maximum detectable velocity, hence increasing the overall VDR of PR-DOCT system. The essence of the approach is to implement a technique of multi-scale measurement to simultaneously acquire multiple VDRs in a single measurement. We demonstrate an example of implementation of the technique in a dual VDR DOCT, where two Doppler maps having different detectable VDRs were simultaneously detected, processed, and displayed in real time. One was a fixed VDR DOCT capable of measuring axial velocity of up to 10.9 mm/s without phase unwrapping. The other was a variable VDR DOCT capable of adjusting its detectable VDR to reveal slow flow information down to 11.3 μm/s. The technique is shown to effectively extend the overall detectable VDR of the PR-DOCT system. Examples of real time Doppler imaging of an African frog tadpole are demonstrated using the dual-VDR DOCT system. PMID:21258521

Imaging multi-scale dynamics in vivo with spiral volumetric optoacoustic tomography

NASA Astrophysics Data System (ADS)

Deán-Ben, X. Luís.; Fehm, Thomas F.; Ford, Steven J.; Gottschalk, Sven; Razansky, Daniel

2017-03-01

Imaging dynamics in living organisms is essential for the understanding of biological complexity. While multiple imaging modalities are often required to cover both microscopic and macroscopic spatial scales, dynamic phenomena may also extend over different temporal scales, necessitating the use of different imaging technologies based on the trade-off between temporal resolution and effective field of view. Optoacoustic (photoacoustic) imaging has been shown to offer the exclusive capability to link multiple spatial scales ranging from organelles to entire organs of small animals. Yet, efficient visualization of multi-scale dynamics remained difficult with state-of-the-art systems due to inefficient trade-offs between image acquisition and effective field of view. Herein, we introduce a spiral volumetric optoacoustic tomography (SVOT) technique that provides spectrally-enriched high-resolution optical absorption contrast across multiple spatio-temporal scales. We demonstrate that SVOT can be used to monitor various in vivo dynamics, from video-rate volumetric visualization of cardiac-associated motion in whole organs to high-resolution imaging of pharmacokinetics in larger regions. The multi-scale dynamic imaging capability thus emerges as a powerful and unique feature of the optoacoustic technology that adds to the multiple advantages of this technology for structural, functional and molecular imaging.

A low complexity, low spur digital IF conversion circuit for high-fidelity GNSS signal playback

NASA Astrophysics Data System (ADS)

Su, Fei; Ying, Rendong

2016-01-01

A low complexity high efficiency and low spur digital intermediate frequency (IF) conversion circuit is discussed in the paper. This circuit is key element in high-fidelity GNSS signal playback instrument. We analyze the spur performance of a finite state machine (FSM) based numerically controlled oscillators (NCO), by optimization of the control algorithm, a FSM based NCO with 3 quantization stage can achieves 65dB SFDR in the range of the seventh harmonic. Compare with traditional lookup table based NCO design with the same Spurious Free Dynamic Range (SFDR) performance, the logic resource require to implemented the NCO is reduced to 1/3. The proposed design method can be extended to the IF conversion system with good SFDR in the range of higher harmonic components by increasing the quantization stage.

Switching plastic crystals of colloidal rods with electric fields

PubMed Central

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications. PMID:24446033

Switching plastic crystals of colloidal rods with electric fields

NASA Astrophysics Data System (ADS)

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications.

Lightweight fiber optic microphones and accelerometers

NASA Astrophysics Data System (ADS)

Bucaro, J. A.; Lagakos, N.

2001-06-01

We have designed, fabricated, and tested two lightweight fiber optic sensors for the dynamic measurement of acoustic pressure and acceleration. These sensors, one a microphone and the other an accelerometer, are required for active blanket sound control technology under development in our laboratory. The sensors were designed to perform to certain specifications dictated by our active sound control application and to do so without exhibiting sensitivity to the high electrical voltages expected to be present. Furthermore, the devices had to be small (volumes less than 1.5 cm3) and light (less than 2 g). To achieve these design criteria, we modified and extended fiber optic reflection microphone and fiber microbend displacement device designs reported in the literature. After fabrication, the performances of each sensor type were determined from measurements made in a dynamic pressure calibrator and on a shaker table. The fiber optic microbend accelerometer, which weighs less than 1.8 g, was found to meet all performance goals including 1% linearity, 90 dB dynamic range, and a minimum detectable acceleration of 0.2 mg/√Hz . The fiber optic microphone, which weighs less than 1.3 g, also met all goals including 1% linearity, 85 dB dynamic range, and a minimum detectable acoustic pressure level of 0.016 Pa/√Hz . In addition to our specific use in active sound control, these sensors appear to have application in a variety of other areas.

A molecular dynamic investigation for shock induced phase transition of water

NASA Astrophysics Data System (ADS)

Mitra, Nilanjan; Neogi, Anupam

2015-06-01

Atomistic equilibrium molecular dynamics (EMD) was carried out to investigate shock induced phase transition of bulk liquid water. Multi-scale shock technique (MSST) was utilized to investigate low (US = 2 . 5km /s) to strong (US = 6 . 5km /s) intensity shock response on an extended flexible three point model up to 100 ns. The thermodynamic pathway of phase transition from liquid water to ice VII was investigated using temporal variation of thermodynamic state variables, power spectrum analyses of O-H bond vibration along with temporal evolution of pair correlation function between O-O, O-H and H-H atoms. Static structure factor along with pair-distribution function extended up to 20 Å was calculated and compared against the ideal ice VII to get information regarding long range ordering. Bragg reflection at different crystal planes were evaluated to investigate percentage of crystallinity of the shocked sample. Specific questions answered in this work involves: What is the exact time frame after the passage of shock at certain intensity in which nucleation of solid phase can be observed? Is it a complete or partial phase transition? Are external nucleators essential for this transformation? What is the percentage of crystallinity of the nucleated phase?

Stochastic Rotation Dynamics simulations of wetting multi-phase flows

NASA Astrophysics Data System (ADS)

Hiller, Thomas; Sanchez de La Lama, Marta; Brinkmann, Martin

2016-06-01

Multi-color Stochastic Rotation Dynamics (SRDmc) has been introduced by Inoue et al. [1,2] as a particle based simulation method to study the flow of emulsion droplets in non-wetting microchannels. In this work, we extend the multi-color method to also account for different wetting conditions. This is achieved by assigning the color information not only to fluid particles but also to virtual wall particles that are required to enforce proper no-slip boundary conditions. To extend the scope of the original SRDmc algorithm to e.g. immiscible two-phase flow with viscosity contrast we implement an angular momentum conserving scheme (SRD+mc). We perform extensive benchmark simulations to show that a mono-phase SRDmc fluid exhibits bulk properties identical to a standard SRD fluid and that SRDmc fluids are applicable to a wide range of immiscible two-phase flows. To quantify the adhesion of a SRD+mc fluid in contact to the walls we measure the apparent contact angle from sessile droplets in mechanical equilibrium. For a further verification of our wettability implementation we compare the dewetting of a liquid film from a wetting stripe to experimental and numerical studies of interfacial morphologies on chemically structured surfaces.

Precision platform for convex lens-induced confinement microscopy

NASA Astrophysics Data System (ADS)

Berard, Daniel; McFaul, Christopher M. J.; Leith, Jason S.; Arsenault, Adriel K. J.; Michaud, François; Leslie, Sabrina R.

2013-10-01

We present the conception, fabrication, and demonstration of a versatile, computer-controlled microscopy device which transforms a standard inverted fluorescence microscope into a precision single-molecule imaging station. The device uses the principle of convex lens-induced confinement [S. R. Leslie, A. P. Fields, and A. E. Cohen, Anal. Chem. 82, 6224 (2010)], which employs a tunable imaging chamber to enhance background rejection and extend diffusion-limited observation periods. Using nanopositioning stages, this device achieves repeatable and dynamic control over the geometry of the sample chamber on scales as small as the size of individual molecules, enabling regulation of their configurations and dynamics. Using microfluidics, this device enables serial insertion as well as sample recovery, facilitating temporally controlled, high-throughput measurements of multiple reagents. We report on the simulation and experimental characterization of this tunable chamber geometry, and its influence upon the diffusion and conformations of DNA molecules over extended observation periods. This new microscopy platform has the potential to capture, probe, and influence the configurations of single molecules, with dramatically improved imaging conditions in comparison to existing technologies. These capabilities are of immediate interest to a wide range of research and industry sectors in biotechnology, biophysics, materials, and chemistry.

Earthquake fracture energy inferred from kinematic rupture models on extended faults

USGS Publications Warehouse

Tinti, E.; Spudich, P.; Cocco, M.

2005-01-01

We estimate fracture energy on extended faults for several recent earthquakes by retrieving dynamic traction evolution at each point on the fault plane from slip history imaged by inverting ground motion waveforms. We define the breakdown work (Wb) as the excess of work over some minimum traction level achieved during slip. Wb is equivalent to "seismological" fracture energy (G) in previous investigations. Our numerical approach uses slip velocity as a boundary condition on the fault. We employ a three-dimensional finite difference algorithm to compute the dynamic traction evolution in the time domain during the earthquake rupture. We estimate Wb by calculating the scalar product between dynamic traction and slip velocity vectors. This approach does not require specifying a constitutive law and assuming dynamic traction to be collinear with slip velocity. If these vectors are not collinear, the inferred breakdown work depends on the initial traction level. We show that breakdown work depends on the square of slip. The spatial distribution of breakdown work in a single earthquake is strongly correlated with the slip distribution. Breakdown work density and its integral over the fault, breakdown energy, scale with seismic moment according to a power law (with exponent 0.59 and 1.18, respectively). Our estimates of breakdown work range between 4 ?? 105 and 2 ?? 107 J/m2 for earthquakes having moment magnitudes between 5.6 and 7.2. We also compare our inferred values with geologic surface energies. This comparison might suggest that breakdown work for large earthquakes goes primarily into heat production. Copyright 2005 by the American Geophysical Union.

Calcium Imaging of AM Dyes Following Prolonged Incubation in Acute Neuronal Tissue

PubMed Central

Morley, John W.; Tapson, Jonathan; Breen, Paul P.; van Schaik, André

2016-01-01

Calcium-imaging is a sensitive method for monitoring calcium dynamics during neuronal activity. As intracellular calcium concentration is correlated to physiological and pathophysiological activity of neurons, calcium imaging with fluorescent indicators is one of the most commonly used techniques in neuroscience today. Current methodologies for loading calcium dyes into the tissue require prolonged incubation time (45–150 min), in addition to dissection and recovery time after the slicing procedure. This prolonged incubation curtails experimental time, as tissue is typically maintained for 6–8 hours after slicing. Using a recently introduced recovery chamber that extends the viability of acute brain slices to more than 24 hours, we tested the effectiveness of calcium AM staining following long incubation periods post cell loading and its impact on the functional properties of calcium signals in acute brain slices and wholemount retinae. We show that calcium dyes remain within cells and are fully functional >24 hours after loading. Moreover, the calcium dynamics recorded >24 hrs were similar to the calcium signals recorded in fresh tissue that was incubated for <4 hrs. These results indicate that long exposure of calcium AM dyes to the intracellular cytoplasm did not alter the intracellular calcium concentration, the functional range of the dye or viability of the neurons. This data extends our previous work showing that a custom recovery chamber can extend the viability of neuronal tissue, and reliable data for both electrophysiology and imaging can be obtained >24hrs after dissection. These methods will not only extend experimental time for those using acute neuronal tissue, but also may reduce the number of animals required to complete experimental goals. PMID:27183102

Transonic Wind Tunnel Modernization for Experimental Investigation of Dynamic Stall in a Wide Range of Mach Numbers by Plasma Actuators with Combined Energy/Momentum Action

DTIC Science & Technology

2015-01-02

The wind tunnel is fitted with large windows for extended optical access to permit various non intrusive and minimally intrusive diagnostic ...as well as new dielectric and semiconducting surface structures The tunnel test section is built with dielectric walls to avoid electromagnetic ...14 – DAQ transducer cable. 15 – Pitot tube and hot wire sensors free-stream velocity data. Figure 3. New test section. 250×360×600 mm3. 1-inch

The quest for solvable multistate Landau-Zener models

DOE PAGES

Sinitsyn, Nikolai A.; Chernyak, Vladimir Y.

2017-05-24

Recently, integrability conditions (ICs) in mutistate Landau-Zener (MLZ) theory were proposed. They describe common properties of all known solved systems with linearly time-dependent Hamiltonians. Here we show that ICs enable efficient computer assisted search for new solvable MLZ models that span complexity range from several interacting states to mesoscopic systems with many-body dynamics and combinatorially large phase space. This diversity suggests that nontrivial solvable MLZ models are numerous. Additionally, we refine the formulation of ICs and extend the class of solvable systems to models with points of multiple diabatic level crossing.

Optimal multi-community network modularity for information diffusion

NASA Astrophysics Data System (ADS)

Wu, Jiaocan; Du, Ruping; Zheng, Yingying; Liu, Dong

2016-02-01

Studies demonstrate that community structure plays an important role in information spreading recently. In this paper, we investigate the impact of multi-community structure on information diffusion with linear threshold model. We utilize extended GN network that contains four communities and analyze dynamic behaviors of information that spreads on it. And we discover the optimal multi-community network modularity for information diffusion based on the social reinforcement. Results show that, within the appropriate range, multi-community structure will facilitate information diffusion instead of hindering it, which accords with the results derived from two-community network.

Observation of coherently enhanced tunable narrow-band terahertz transition radiation from a relativistic sub-picosecond electron bunch train

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

Piot, P.; Sun, Y. -E; Maxwell, T. J.

2011-06-27

We experimentally demonstrate the production of narrow-band (δf/f ~ =20% at f ~ = 0.5 THz) THz transition radiation with tunable frequency over [0.37, 0.86] THz. The radiation is produced as a train of sub-picosecond relativistic electron bunches transits at the vacuum-aluminum interface of an aluminum converter screen. In addition, we show a possible application of modulated beams to extend the dynamical range of a popular bunch length diagnostic technique based on the spectral analysis of coherent radiation.

Updating the Synchrotron Radiation Monitor at TLS

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

Kuo, C. H.; Hsu, S. Y.; Wang, C. J.

2007-01-19

The synchrotron radiation monitor provides useful information to support routine operation and physics experiments using the beam. Precisely knowing the profile of the beam helps to improve machine performance. The synchrotron radiation monitor at the Taiwan Light Source (TLS) was recently upgraded. The optics and modeling were improved to increase the accuracy of measurement in the small beam size. A high-performance IEEE-1394 digital CCD camera was used to improve the quality of images and extend the dynamic range of measurement. The image analysis is also improved. This report summarizes status and results.

Vibration sensing in flexible structures using a distributed-effect modal domain optical fiber sensor

NASA Technical Reports Server (NTRS)

Reichard, Karl M.; Lindner, Douglas K.; Claus, Richard O.

1991-01-01

Modal domain optical fiber sensors have recently been employed in the implementation of system identification algorithms and the closed-loop control of vibrations in flexible structures. The mathematical model of the modal domain optical fiber sensor used in these applications, however, only accounted for the effects of strain in the direction of the fiber's longitudinal axis. In this paper, we extend this model to include the effects of arbitrary stress. Using this sensor model, we characterize the sensor's sensitivity and dynamic range.

Sorption of tetracycline antibiotics on hyper-crosslinked polystyrene from aqueous and aqueous-organic media

NASA Astrophysics Data System (ADS)

Udalova, A. Yu.; Dmitrienko, S. G.; Apyari, V. V.

2015-06-01

The sorption of tetracycline, oxytetracycline, chlortetracycline, and doxycycline on hyper-cross-linked polystyrene from aqueous and aqueous-organic solutions is studied under static and dynamic conditions in order to extend the range of the sorbents suitable for sorption isolation and the preconcentration of tetracycline antibiotics. Features of tetracycline sorption depending on the acidity of a solution and the nature and concentration of the compounds are explained. It is shown that hyper-crosslinked polystyrene can be used for the group sorption preconcentration of these compounds.

Constant pH simulations of pH responsive polymers

NASA Astrophysics Data System (ADS)

Sharma, Arjun; Smith, J. D.; Walters, Keisha B.; Rick, Steven W.

2016-12-01

Polyacidic polymers can change structure over a narrow range of pH in a competition between the hydrophobic effect, which favors a compact state, and electrostatic repulsion, which favors an extended state. Constant pH molecular dynamics computer simulations of poly(methacrylic acid) reveal that there are two types of structural changes, one local and one global, which make up the overall response. The local structural response depends on the tacticity of the polymer and leads to different cooperative effects for polymers with different stereochemistries, demonstrating both positive and negative cooperativities.

Extended Closed-form Expressions for the Robust Symmetrical Number System Dynamic Range and an Efficient Algorithm for its Computation

DTIC Science & Technology

2014-01-01

and distance between all of the vector ambiguity pairs for the combined N−sequences. To simplify our derivation, we define the center of ambiguity (COA...modulo N . The resulting structure of the N sequences ensures that two successive RSNS vectors (paired terms from all N sequences) when considered...represented by a vector , Xh = [x1,h, x2,h, . . . , xN,h] T , of N paired integers from each se- quence at h. For example, a left-shifted, three-sequence

Development of CCSDS DCT to Support Spacecraft Dynamic Events

NASA Technical Reports Server (NTRS)

Sidhwa, Anahita F

2011-01-01

This report discusses the development of Consultative Committee for Space Data Systems (CCSDS) Design Control Table (DCT) to support spacecraft dynamic events. The Consultative Committee for Space Data Systems (CCSDS) Design Control Table (DCT) is a versatile link calculation tool to analyze different kinds of radio frequency links. It started out as an Excel-based program, and is now being evolved into a Mathematica-based link analysis tool. The Mathematica platform offers a rich set of advanced analysis capabilities, and can be easily extended to a web-based architecture. Last year the CCSDS DCT's for the uplink, downlink, two-way, and ranging models were developed as well as the corresponding input and output interfaces. Another significant accomplishment is the integration of the NAIF SPICE library into the Mathematica computation platform.

Telerobotic research at NASA Langley Research Center

NASA Technical Reports Server (NTRS)

Sliwa, Nancy E.

1987-01-01

An overview of Automation Technology Branch facilities and research is presented. Manipulator research includes dual-arm coordination studies, space manipulator dynamics, end-effector controller development, automatic space structure assembly, and the development of a dual-arm master-slave telerobotic manipulator system. Sensor research includes gravity-compensated force control, real-time monovision techniques, and laser ranging. Artificial intelligence techniques are being explored for supervisory task control, collision avoidance, and connectionist system architectures. A high-fidelity dynamic simulation of robotic systems, ROBSIM, is being supported and extended. Cooperative efforts with Oak Ridge National Laboratory have verified the ability of teleoperators to perform complex structural assembly tasks, and have resulted in the definition of a new dual-arm master-slave telerobotic manipulator. A bibliography of research results and a list of technical contacts are included.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

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

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic x-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our findings confirm the displacive nature of the cubic-to-tetragonal phase transition, which is further shown, using neutron and x-ray diffraction, to be close to a tricritical point. Lastly, we detect quasistatic symmetry-breaking nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These findings reveal key structural properties of these materials, and also bearmore » important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Materials science. Dynamic mechanical behavior of multilayer graphene via supersonic projectile penetration.

PubMed

Lee, Jae-Hwang; Loya, Phillip E; Lou, Jun; Thomas, Edwin L

2014-11-28

Multilayer graphene is an exceptional anisotropic material due to its layered structure composed of two-dimensional carbon lattices. Although the intrinsic mechanical properties of graphene have been investigated at quasi-static conditions, its behavior under extreme dynamic conditions has not yet been studied. We report the high-strain-rate behavior of multilayer graphene over a range of thicknesses from 10 to 100 nanometers by using miniaturized ballistic tests. Tensile stretching of the membrane into a cone shape is followed by initiation of radial cracks that approximately follow crystallographic directions and extend outward well beyond the impact area. The specific penetration energy for multilayer graphene is ~10 times more than literature values for macroscopic steel sheets at 600 meters per second. Copyright © 2014, American Association for the Advancement of Science.

Longitudinal control effectiveness and entry dynamics of a single-stage-to-orbit vehicle

NASA Technical Reports Server (NTRS)

Vinh, N. X.; Lin, C. F.

1982-01-01

The classical theory of flight dynamics for airplane longitudinal stability and control analysis was extended to the case of a hypervelocity reentry vehicle. This includes the elements inherent in supersonic and hypersonic flight such as the influence of the Mach number on aerodynamic characteristics, and the effect of the reaction control system and aerodynamic controls on the trim condition through a wide range of speed. Phugoid motion and angle of attack oscillation for typical cases of cruising flight, ballistic entry, and glide entry are investigated. In each case, closed form solutions for the variations in altitude, flight path angle, speed and angle of attack are obtained. The solutions explicitly display the influence of different regions design parameters and trajectory variables on the stability of the motion.

Scaling up: What coupled land-atmosphere models can tell us about critical zone processes

NASA Astrophysics Data System (ADS)

FitzGerald, K. A.; Masarik, M. T.; Rudisill, W. J.; Gelb, L.; Flores, A. N.

2017-12-01

A significant limitation to extending our knowledge of critical zone (CZ) evolution and function is a lack of hydrometeorological information at sufficiently fine spatial and temporal resolutions to resolve topo-climatic gradients and adequate spatial and temporal extent to capture a range of climatic conditions across ecoregions. Research at critical zone observatories (CZOs) suggests hydrometeorological stores and fluxes exert key controls on processes such as hydrologic partitioning and runoff generation, landscape evolution, soil formation, biogeochemical cycling, and vegetation dynamics. However, advancing fundamental understanding of CZ processes necessitates understanding how hydrometeorological drivers vary across space and time. As a result of recent advances in computational capabilities it has become possible, although still computationally expensive, to simulate hydrometeorological conditions via high resolution coupled land-atmosphere models. Using the Weather Research and Forecasting (WRF) model, we developed a high spatiotemporal resolution dataset extending from water year 1987 to present for the Snake River Basin in the northwestern USA including the Reynolds Creek and Dry Creek Experimental Watersheds, both part of the Reynolds Creek CZO, as well as a range of other ecosystems including shrubland desert, montane forests, and alpine tundra. Drawing from hypotheses generated by work at these sites and across the CZO network, we use the resulting dataset in combination with CZO observations and publically available datasets to provide insights regarding hydrologic partitioning, vegetation distribution, and erosional processes. This dataset provides key context in interpreting and reconciling what observations obtained at particular sites reveal about underlying CZ structure and function. While this dataset does not extend to future climates, the same modeling framework can be used to dynamically downscale coarse global climate model output to scales relevant to CZ processes. This presents an opportunity to better characterize the impact of climate change on the CZ. We also argue that opportunities exist beyond the one way flow of information and that what we learn at CZOs has the potential to contribute significantly to improved Earth system models.

Electrostatic interactions in soft particle systems: mesoscale simulations of ionic liquids.

PubMed

Wang, Yong-Lei; Zhu, You-Liang; Lu, Zhong-Yuan; Laaksonen, Aatto

2018-05-21

Computer simulations provide a unique insight into the microscopic details, molecular interactions and dynamic behavior responsible for many distinct physicochemical properties of ionic liquids. Due to the sluggish and heterogeneous dynamics and the long-ranged nanostructured nature of ionic liquids, coarse-grained meso-scale simulations provide an indispensable complement to detailed first-principles calculations and atomistic simulations allowing studies over extended length and time scales with a modest computational cost. Here, we present extensive coarse-grained simulations on a series of ionic liquids of the 1-alkyl-3-methylimidazolium (alkyl = butyl, heptyl-, and decyl-) family with Cl, [BF4], and [PF6] counterions. Liquid densities, microstructures, translational diffusion coefficients, and re-orientational motion of these model ionic liquid systems have been systematically studied over a wide temperature range. The addition of neutral beads in cationic models leads to a transition of liquid morphologies from dispersed apolar beads in a polar framework to that characterized by bi-continuous sponge-like interpenetrating networks in liquid matrices. Translational diffusion coefficients of both cations and anions decrease upon lengthening of the neutral chains in the cationic models and by enlarging molecular sizes of the anionic groups. Similar features are observed in re-orientational motion and time scales of different cationic models within the studied temperature range. The comparison of the liquid properties of the ionic systems with their neutral counterparts indicates that the distinctive microstructures and dynamical quantities of the model ionic liquid systems are intrinsically related to Coulombic interactions. Finally, we compared the computational efficiencies of three linearly scaling O(N log N) Ewald summation methods, the particle-particle particle-mesh method, the particle-mesh Ewald summation method, and the Ewald summation method based on a non-uniform fast Fourier transform technique, to calculate electrostatic interactions. Coarse-grained simulations were performed using the GALAMOST and the GROMACS packages and hardware efficiently utilizing graphics processing units on a set of extended [1-decyl-3-methylimidazolium][BF4] ionic liquid systems of up to 131 072 ion pairs.

Digital Microarrays: Single-Molecule Readout with Interferometric Detection of Plasmonic Nanorod Labels.

PubMed

Sevenler, Derin; Daaboul, George G; Ekiz Kanik, Fulya; Ünlü, Neşe Lortlar; Ünlü, M Selim

2018-05-21

DNA and protein microarrays are a high-throughput technology that allow the simultaneous quantification of tens of thousands of different biomolecular species. The mediocre sensitivity and limited dynamic range of traditional fluorescence microarrays compared to other detection techniques have been the technology's Achilles' heel and prevented their adoption for many biomedical and clinical diagnostic applications. Previous work to enhance the sensitivity of microarray readout to the single-molecule ("digital") regime have either required signal amplifying chemistry or sacrificed throughput, nixing the platform's primary advantages. Here, we report the development of a digital microarray which extends both the sensitivity and dynamic range of microarrays by about 3 orders of magnitude. This technique uses functionalized gold nanorods as single-molecule labels and an interferometric scanner which can rapidly enumerate individual nanorods by imaging them with a 10× objective lens. This approach does not require any chemical signal enhancement such as silver deposition and scans arrays with a throughput similar to commercial fluorescence scanners. By combining single-nanoparticle enumeration and ensemble measurements of spots when the particles are very dense, this system achieves a dynamic range of about 6 orders of magnitude directly from a single scan. As a proof-of-concept digital protein microarray assay, we demonstrated detection of hepatitis B virus surface antigen in buffer with a limit of detection of 3.2 pg/mL. More broadly, the technique's simplicity and high-throughput nature make digital microarrays a flexible platform technology with a wide range of potential applications in biomedical research and clinical diagnostics.

Monthly means of selected climate variables for 1985 - 1989

NASA Technical Reports Server (NTRS)

Schubert, S.; Wu, C.-Y.; Zero, J.; Schemm, J.-K.; Park, C.-K.; Suarez, M.

1992-01-01

Meteorologists are accustomed to viewing instantaneous weather maps, since these contain the most relevant information for the task of producing short-range weather forecasts. Climatologists, on the other hand, tend to deal with long-term means, which portray the average climate. The recent emphasis on dynamical extended-range forecasting and, in particular measuring and predicting short term climate change makes it important that we become accustomed to looking at variations on monthly and longer time scales. A convenient toll for researchers to familiarize themselves with the variability which occurs in selected parameters on these time scales is provided. The format of the document was chosen to help facilitate the intercomparison of various parameters and highlight the year-to-year variability in monthly means.

The University of Iowa Helios solar wind plasma wave experiment /E 5a/. [using spectrum analyzer-electric field antenna system

NASA Technical Reports Server (NTRS)

Gurnett, D. A.; Anderson, R. R.; Odem, D. L.

1975-01-01

This document describes the University of Iowa solar wind plasma wave experiment for the Helios missions (Experiment 5a). The objective of this experiment is the investigation of naturally occurring plasma instabilities and electromagnetic waves in the solar wind. To carry out this investigation, the experiment consists primarily of a 16-channel spectrum analyzer connected to the electric field antennas. The spectrum analyzer covers the frequency range from 20 Hz to 200 kHz and has an amplitude dynamic range which extends from .3 microvolts/m to 30 mV/m per channel. This spectrum analyzer, the antenna potential measurements, the shock alarm system and the supporting electronics are discussed in detail.

Paralleling power MOSFETs in their active region: Extended range of passively forced current sharing

NASA Technical Reports Server (NTRS)

Niedra, Janis M.

1989-01-01

A simple passive circuit that improves current balance in parallelled power MOSFETs that are not precisely matched and that are operated in their active region from a common gate drive are exhibited. A nonlinear circuit consisting of diodes and resistors generates the differential gate potential required to correct for unbalance while maintaining low losses over a range of current. Also application of a thin tape wound magnetic core to effect dynamic current balance is reviewed, and a simple theory is presented showing that for operation in the active region the branch currents tend to revert to their normal unbalanced values even if the core is not driven into saturation. Results of several comparative experiments are given.

Nonlinear Landing Control for Quadrotor UAVs

NASA Astrophysics Data System (ADS)

Voos, Holger

Quadrotor UAVs are one of the most preferred type of small unmanned aerial vehicles because of the very simple mechanical construction and propulsion principle. However, the nonlinear dynamic behavior requires a more advanced stabilizing control and guidance of these vehicles. In addition, the small payload reduces the amount of batteries that can be carried and thus also limits the operating range of the UAV. One possible solution for a range extension is the application of a mobile base station for recharging purpose even during operation. However, landing on a moving base station requires autonomous tracking and landing control of the UAV. In this paper, a nonlinear autopilot for quadrotor UAVs is extended with a tracking and landing controller to fulfill the required task.

Evolution of an electron plasma vortex in a strain flow

NASA Astrophysics Data System (ADS)

Danielson, J. R.

2016-10-01

Coherent vortex structures are ubiquitous in fluids and plasmas and are examples of self-organized structures in nonlinear dynamical systems. The fate of these structures in strain and shear flows is an important issue in many physical systems, including geophysical fluids and shear suppression of turbulence in plasmas. In two-dimensions, an inviscid, incompressible, ideal fluid can be modeled with the Euler equations, which is perhaps the simplest system that supports vortices. The Drift-Poisson equations for pure electron plasmas in a strong, uniform magnetic field are isomorphic to the Euler equations, and so electron plasmas are an excellent test bed for the study of 2D vortex dynamics. This talk will describe results from a new experiment using pure electron plasmas in a specially designed Penning-Malmberg (PM) trap to study the evolution of an initially axisymmetric 2D vortex subject to externally imposed strains. Complementary vortex-in-cell simulations are conducted to validate the 2D nature of the experimental results and to extend the parameter range of these studies. Data for vortex destruction using both instantaneously applied and time dependent strains with flat (constant vorticity) and extended radial profiles will be presented. The role of vortex self-organization will be discussed. A simple 2D model works well for flat vorticity profiles. However, extended profiles exhibit more complicated behavior, such as filamentation and stripping; and these effects and their consequences will be discussed. Work done in collaboration with N. C. Hurst, D. H. E. Dubin, and C. M. Surko.

Structure and development of old-growth, unmanaged second-growth, and extended rotation Pinus resinosa forests in Minnesota, USA

USGS Publications Warehouse

Silver, Emily J.; D'Amato, Anthony W.; Fraver, Shawn; Palik, Brian J.; Bradford, John B.

2013-01-01

The structure and developmental dynamics of old-growth forests often serve as important baselines for restoration prescriptions aimed at promoting more complex structural conditions in managed forest landscapes. Nonetheless, long-term information on natural patterns of development is rare for many commercially important and ecologically widespread forest types. Moreover, the effectiveness of approaches recommended for restoring old-growth structural conditions to managed forests, such as the application of extended rotation forestry, has been little studied. This study uses several long-term datasets from old growth, extended rotation, and unmanaged second growth Pinus resinosa (red pine) forests in northern Minnesota, USA, to quantify the range of variation in structural conditions for this forest type and to evaluate the effectiveness of extended rotation forestry at promoting the development of late-successional structural conditions. Long-term tree population data from permanent plots for one of the old-growth stands and the extended rotation stands (87 and 61 years, respectively) also allowed for an examination of the long-term structural dynamics of these systems. Old-growth forests were more structurally complex than unmanaged second-growth and extended rotation red pine stands, due in large part to the significantly higher volumes of coarse woody debris (70.7 vs. 11.5 and 4.7 m3/ha, respectively) and higher snag basal area (6.9 vs. 2.9 and 0.5 m2/ha, respectively). In addition, old-growth forests, although red pine-dominated, contained a greater abundance of other species, including Pinus strobus, Abies balsamea, and Picea glauca relative to the other stand types examined. These differences between stand types largely reflect historic gap-scale disturbances within the old-growth systems and their corresponding structural and compositional legacies. Nonetheless, extended rotation thinning treatments, by accelerating advancement to larger tree diameter classes, generated diameter distributions more closely approximating those found in old growth within a shorter time frame than depicted in long-term examinations of old-growth structural development. These results suggest that extended rotation treatments may accelerate the development of old-growth structural characteristics, provided that coarse woody debris and snags are deliberately retained and created on site. These and other developmental characteristics of old-growth systems can inform forest management when objectives include the restoration of structural conditions found in late-successional forests.

A comprehensive study of the delay vector variance method for quantification of nonlinearity in dynamical systems

PubMed Central

Mandic, D. P.; Ryan, K.; Basu, B.; Pakrashi, V.

2016-01-01

Although vibration monitoring is a popular method to monitor and assess dynamic structures, quantification of linearity or nonlinearity of the dynamic responses remains a challenging problem. We investigate the delay vector variance (DVV) method in this regard in a comprehensive manner to establish the degree to which a change in signal nonlinearity can be related to system nonlinearity and how a change in system parameters affects the nonlinearity in the dynamic response of the system. A wide range of theoretical situations are considered in this regard using a single degree of freedom (SDOF) system to obtain numerical benchmarks. A number of experiments are then carried out using a physical SDOF model in the laboratory. Finally, a composite wind turbine blade is tested for different excitations and the dynamic responses are measured at a number of points to extend the investigation to continuum structures. The dynamic responses were measured using accelerometers, strain gauges and a Laser Doppler vibrometer. This comprehensive study creates a numerical and experimental benchmark for structurally dynamical systems where output-only information is typically available, especially in the context of DVV. The study also allows for comparative analysis between different systems driven by the similar input. PMID:26909175

System and method for reducing combustion dynamics in a combustor

DOEpatents

Uhm, Jong Ho; Johnson, Thomas Edward; Zuo, Baifang; York, William David

2013-08-20

A system for reducing combustion dynamics in a combustor includes an end cap having an upstream surface axially separated from a downstream surface, and tube bundles extend through the end cap. A diluent supply in fluid communication with the end cap provides diluent flow to the end cap. Diluent distributors circumferentially arranged inside at least one tube bundle extend downstream from the downstream surface and provide fluid communication for the diluent flow through the end cap. A method for reducing combustion dynamics in a combustor includes flowing fuel through tube bundles that extend axially through an end cap, flowing a diluent through diluent distributors into a combustion chamber, wherein the diluent distributors are circumferentially arranged inside at least one tube bundle and each diluent distributor extends downstream from the end cap, and forming a diluent barrier in the combustion chamber between at least one pair of adjacent tube bundles.

Nonperturbative stochastic method for driven spin-boson model

NASA Astrophysics Data System (ADS)

Orth, Peter P.; Imambekov, Adilet; Le Hur, Karyn

2013-01-01

We introduce and apply a numerically exact method for investigating the real-time dissipative dynamics of quantum impurities embedded in a macroscopic environment beyond the weak-coupling limit. We focus on the spin-boson Hamiltonian that describes a two-level system interacting with a bosonic bath of harmonic oscillators. This model is archetypal for investigating dissipation in quantum systems, and tunable experimental realizations exist in mesoscopic and cold-atom systems. It finds abundant applications in physics ranging from the study of decoherence in quantum computing and quantum optics to extended dynamical mean-field theory. Starting from the real-time Feynman-Vernon path integral, we derive an exact stochastic Schrödinger equation that allows us to compute the full spin density matrix and spin-spin correlation functions beyond weak coupling. We greatly extend our earlier work [P. P. Orth, A. Imambekov, and K. Le Hur, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.032118 82, 032118 (2010)] by fleshing out the core concepts of the method and by presenting a number of interesting applications. Methodologically, we present an analogy between the dissipative dynamics of a quantum spin and that of a classical spin in a random magnetic field. This analogy is used to recover the well-known noninteracting-blip approximation in the weak-coupling limit. We explain in detail how to compute spin-spin autocorrelation functions. As interesting applications of our method, we explore the non-Markovian effects of the initial spin-bath preparation on the dynamics of the coherence σx(t) and of σz(t) under a Landau-Zener sweep of the bias field. We also compute to a high precision the asymptotic long-time dynamics of σz(t) without bias and demonstrate the wide applicability of our approach by calculating the spin dynamics at nonzero bias and different temperatures.

Hierarchical organization of eglin c native state dynamics is shaped by competing direct and water-mediated interactions.

PubMed

Materese, Christopher Kroboth; Goldmon, Christa Charisse; Papoian, Garegin A

2008-08-05

The native state dynamics of the small globular serine protease inhibitor eglin c has been studied in a long 336 ns computer simulation in explicit solvent. We have elucidated the energy landscape explored during the course of the simulation by using Principal Component Analysis. We observe several basins in the energy landscape in which the system lingers for extended periods. Through an iterative process we have generated a tree-like hierarchy of states describing the observed dynamics. We observe a range of divergent contact types including salt bridges, hydrogen bonds, hydrophilic interactions, and hydrophobic interactions, pointing to the frustration between competing interactions. Additionally, we find evidence of competing water-mediated interactions. Divergence in water-mediated interactions may be found to supplement existing direct contacts, but they are also found to be independent of such changes. Water-mediated contacts facilitate interactions between residues of like charge as observed in the simulation. Our results provide insight into the complexity of the dynamic native state of a globular protein and directly probe the residual frustration in the native state.

Visualizing long-term single-molecule dynamics in vivo by stochastic protein labeling.

PubMed

Liu, Hui; Dong, Peng; Ioannou, Maria S; Li, Li; Shea, Jamien; Pasolli, H Amalia; Grimm, Jonathan B; Rivlin, Patricia K; Lavis, Luke D; Koyama, Minoru; Liu, Zhe

2018-01-09

Our ability to unambiguously image and track individual molecules in live cells is limited by packing of multiple copies of labeled molecules within the resolution limit. Here we devise a universal genetic strategy to precisely control copy number of fluorescently labeled molecules in a cell. This system has a dynamic range of ∼10,000-fold, enabling sparse labeling of proteins expressed at different abundance levels. Combined with photostable labels, this system extends the duration of automated single-molecule tracking by two orders of magnitude. We demonstrate long-term imaging of synaptic vesicle dynamics in cultured neurons as well as in intact zebrafish. We found axon initial segment utilizes a "waterfall" mechanism gating synaptic vesicle transport polarity by promoting anterograde transport processivity. Long-time observation also reveals that transcription factor hops between clustered binding sites in spatially restricted subnuclear regions, suggesting that topological structures in the nucleus shape local gene activities by a sequestering mechanism. This strategy thus greatly expands the spatiotemporal length scales of live-cell single-molecule measurements, enabling new experiments to quantitatively understand complex control of molecular dynamics in vivo.

Results of an Analysis of Field Studies of the Intrinsic Dynamic Characteristics Important for the Safety of Nuclear Power Plant Equipment

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

Kaznovsky, A. P., E-mail: kaznovskyap@atech.ru; Kasiyanov, K. G.; Ryasnyj, S. I.

2015-01-15

A classification of the equipment important for the safety of nuclear power plants is proposed in terms of its dynamic behavior under seismic loading. An extended bank of data from dynamic tests over the entire range of thermal and mechanical equipment in generating units with VVER-1000 and RBMK-1000 reactors is analyzed. Results are presented from a study of the statistical behavior of the distribution of vibrational frequencies and damping decrements with the “small perturbation” factor that affects the measured damping decrements taken into account. A need to adjust the regulatory specifications for choosing the values of the damping decrements withmore » specified inertial loads on equipment owing to seismic effects during design calculations is identified. Minimum values of the decrements are determined and proposed for all types of equipment as functions of the directions and natural vibration frequencies of the dynamic interactions to be adopted as conservative standard values in the absence of actual experimental data in the course of design studies of seismic resistance.« less

Selfish mothers? An empirical test of parent-offspring conflict over extended parental care.

PubMed

Paul, Manabi; Sen Majumder, Sreejani; Bhadra, Anindita

2014-03-01

Parent-offspring conflict (POC) theory is an interesting conceptual framework for understanding the dynamics of parental care. However, this theory is not easy to test empirically, as exact measures of parental investment in an experimental set-up are difficult to obtain. We have used free-ranging dogs Canis familiaris in India, to study POC in the context of extended parental care. We observed females and their pups in their natural habitat for the mother's tendency to share food given by humans with her pups in the weaning and post-weaning stages. Since these dogs are scavengers, and depend largely on human provided food for their sustenance, voluntary sharing of food by the mother with her pups is a good surrogate for extended parental care. Our behavioural observations convincingly demonstrate an increase of conflict and decrease of cooperation by the mother with her offspring over given food within a span of 4-6 weeks. We also demonstrate that the competition among the pups in a litter scales with litter size, an indicator of sib-sib competition. Copyright © 2013 Elsevier B.V. All rights reserved.

Oxygen K edge scattering from bulk comb diblock copolymer reveals extended, ordered backbones above lamellar order-disorder transition

DOE PAGES

Kortright, Jeffrey Barrett; Sun, Jing; Spencer, Ryan K.; ...

2016-12-14

The evolution of molecular morphology in bulk samples of comb diblock copolymer pNdc 12-b-pNte 21 across the lamellar order-disorder transition (ODT) is studied using resonant x-ray scattering at the oxygen K edge, with the goal of determining whether the molecules remain extended or collapse above the ODT. The distinct spectral resonances of carbonyl oxygen on the backbone and ether oxygen in the pNte side chains combine with their different site symmetry within the molecule to yield strong differences in bulk structural sensitivity at all temperatures. Comparison with simple models for the disordered phase clearly reveals that disordering at the ODTmore » corresponds to loss of positional order of molecules with extended backbones that retain orientational order, rather than backbone collapse into a locally isotropic disordered phase. This conclusion is facilitated directly by the distinct structural sensitivity at the two resonances. Lastly, we discuss the roles of depolarized scattering in enhancing this sensitivity, and background fluorescence in limiting dynamic range, in oxygen resonant scattering.« less

Helicopter mathematical models and control law development for handling qualities research

NASA Technical Reports Server (NTRS)

Chen, Robert T. N.; Lebacqz, J. Victor; Aiken, Edwin W.; Tischler, Mark B.

1988-01-01

Progress made in joint NASA/Army research concerning rotorcraft flight-dynamics modeling, design methodologies for rotorcraft flight-control laws, and rotorcraft parameter identification is reviewed. Research into these interactive disciplines is needed to develop the analytical tools necessary to conduct flying qualities investigations using both the ground-based and in-flight simulators, and to permit an efficient means of performing flight test evaluation of rotorcraft flying qualities for specification compliance. The need for the research is particularly acute for rotorcraft because of their mathematical complexity, high order dynamic characteristics, and demanding mission requirements. The research in rotorcraft flight-dynamics modeling is pursued along two general directions: generic nonlinear models and nonlinear models for specific rotorcraft. In addition, linear models are generated that extend their utilization from 1-g flight to high-g maneuvers and expand their frequency range of validity for the design analysis of high-gain flight control systems. A variety of methods ranging from classical frequency-domain approaches to modern time-domain control methodology that are used in the design of rotorcraft flight control laws is reviewed. Also reviewed is a study conducted to investigate the design details associated with high-gain, digital flight control systems for combat rotorcraft. Parameter identification techniques developed for rotorcraft applications are reviewed.

Hierarchical Petascale Simulation Framework For Stress Corrosion Cracking

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

Grama, Ananth

2013-12-18

A number of major accomplishments resulted from the project. These include: • Data Structures, Algorithms, and Numerical Methods for Reactive Molecular Dynamics. We have developed a range of novel data structures, algorithms, and solvers (amortized ILU, Spike) for use with ReaxFF and charge equilibration. • Parallel Formulations of ReactiveMD (Purdue ReactiveMolecular Dynamics Package, PuReMD, PuReMD-GPU, and PG-PuReMD) for Messaging, GPU, and GPU Cluster Platforms. We have developed efficient serial, parallel (MPI), GPU (Cuda), and GPU Cluster (MPI/Cuda) implementations. Our implementations have been demonstrated to be significantly better than the state of the art, both in terms of performance and scalability.more » • Comprehensive Validation in the Context of Diverse Applications. We have demonstrated the use of our software in diverse systems, including silica-water, silicon-germanium nanorods, and as part of other projects, extended it to applications ranging from explosives (RDX) to lipid bilayers (biomembranes under oxidative stress). • Open Source Software Packages for Reactive Molecular Dynamics. All versions of our soft- ware have been released over the public domain. There are over 100 major research groups worldwide using our software. • Implementation into the Department of Energy LAMMPS Software Package. We have also integrated our software into the Department of Energy LAMMPS software package.« less

Context-dependent JPEG backward-compatible high-dynamic range image compression

NASA Astrophysics Data System (ADS)

Korshunov, Pavel; Ebrahimi, Touradj

2013-10-01

High-dynamic range (HDR) imaging is expected, together with ultrahigh definition and high-frame rate video, to become a technology that may change photo, TV, and film industries. Many cameras and displays capable of capturing and rendering both HDR images and video are already available in the market. The popularity and full-public adoption of HDR content is, however, hindered by the lack of standards in evaluation of quality, file formats, and compression, as well as large legacy base of low-dynamic range (LDR) displays that are unable to render HDR. To facilitate the wide spread of HDR usage, the backward compatibility of HDR with commonly used legacy technologies for storage, rendering, and compression of video and images are necessary. Although many tone-mapping algorithms are developed for generating viewable LDR content from HDR, there is no consensus of which algorithm to use and under which conditions. We, via a series of subjective evaluations, demonstrate the dependency of the perceptual quality of the tone-mapped LDR images on the context: environmental factors, display parameters, and image content itself. Based on the results of subjective tests, it proposes to extend JPEG file format, the most popular image format, in a backward compatible manner to deal with HDR images also. An architecture to achieve such backward compatibility with JPEG is proposed. A simple implementation of lossy compression demonstrates the efficiency of the proposed architecture compared with the state-of-the-art HDR image compression.

Molecular dynamics study on the structural and dynamic properties of xanthan gum in a dilute solution under the effect of temperature

NASA Astrophysics Data System (ADS)

Ong, Ernest E. S.; O'Byrne, Sean; Liow, Jong-Leng

2018-04-01

Xanthan gum (XG) is considered one of the most industrially important polysaccharides, with applications ranging from food products such as ice creams and salad dressings to pharmaceuticals and oil well drilling fluids. The wide application of XG is due to its favourable rheological properties and its capability to resist degradation under a high shear or high temperature environment. It is generally accepted that both inter- and intramolecular interactions, including hydrogen bonding (HB), are responsible for its unique properties. To date, there is still a lack of comprehensive examination on the HB mechanism in polysaccharides. Therefore, the study proposed here was conducted using molecular dynamics (MD) simulations that are able to provide insights with an unparalleled temporal and spatial resolution. Since XG is used over a broad range of temperatures, the implications of thermal effect on the structure and molecular interactions of XG in an aqueous solution are discussed in this paper. MD simulations were run at an isobaric-isothermal condition with 1 atm target pressure and five temperatures ranging between 283K and 353K. From the simulation results, an increasingly extended conformation of XG is observed as the temperature rises, and this finding matches qualitatively with the results published in the literature. The radius of gyration, radial pair distribution functions and intramolecular HB of XG were also discussed. The outcomes of the present study may serve as a stepping stone for the future studies on polysaccharides using MD simulations.

Dependence of the atomic level Green-Kubo stress correlation function on wavevector and frequency: molecular dynamics results from a model liquid.

PubMed

Levashov, V A

2014-09-28

We report on a further investigation of a new method that can be used to address vibrational dynamics and propagation of stress waves in liquids. The method is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the atomic level stress correlation functions. This decomposition, as was demonstrated previously for a model liquid studied in molecular dynamics simulations, reveals the presence of stress waves propagating over large distances and a structure that resembles the pair density function. In this paper, by performing the Fourier transforms of the atomic level stress correlation functions, we elucidate how the lifetimes of the stress waves and the ranges of their propagation depend on their frequency, wavevector, and temperature. These results relate frequency and wavevector dependence of the generalized viscosity to the character of propagation of the shear stress waves. In particular, the results suggest that an increase in the value of the frequency dependent viscosity at low frequencies with decrease of temperature is related to the increase in the ranges of propagation of the stress waves of the corresponding low frequencies. We found that the ranges of propagation of the shear stress waves of frequencies less than half of the Einstein frequency extend well beyond the nearest neighbor shell even above the melting temperature. The results also show that the crossover from quasilocalized to propagating behavior occurs at frequencies usually associated with the Boson peak.

Droplet-based microfluidics and the dynamics of emulsions

NASA Astrophysics Data System (ADS)

Baret, Jean-Christophe; Brosseau, Quentin; Semin, Benoit; Qu, Xiaopeng

2012-02-01

Emulsions are complex fluids already involved for a long time in a wide-range of industrial processes, such as, for example, food, cosmetics or materials synthesis [1]. More recently, applications of emulsions have been extended to new fields like biotechnology or biochemistry where the compartmentalization of compounds in emulsion droplets is used to parallelise (bio-) chemical reactions [2]. Interestingly, these applications pinpoint to fundamental questions dealing with surfactant dynamics, dynamic surface tension, hydrodynamic interactions and electrohydrodynamics. Droplet-based microfluidics is a very powerful tool to quantitatively study the dynamics of emulsions at the single droplet level or even at the single interface level: well-controlled emulsions are produced and manipulated using hydrodynamics, electrical forces, optical actuation and combination of these effects. We will describe here how droplet-based microfluidics is used to extract quantitative informations on the physical-chemistry of emulsions for a better understanding and control of the dynamics of these systems [3].[4pt] [1] J. Bibette et al. Rep. Prog. Phys., 62, 969-1033 (1999)[0pt] [2] A. Theberge et al., Angewandte Chemie Int. Ed. 49, 5846 (2010)[0pt] [3] J.-C. Baret et al., Langmuir, 25, 6088 (2009)

Neural field model to reconcile structure with function in primary visual cortex.

PubMed

Rankin, James; Chavane, Frédéric

2017-10-01

Voltage-sensitive dye imaging experiments in primary visual cortex (V1) have shown that local, oriented visual stimuli elicit stable orientation-selective activation within the stimulus retinotopic footprint. The cortical activation dynamically extends far beyond the retinotopic footprint, but the peripheral spread stays non-selective-a surprising finding given a number of anatomo-functional studies showing the orientation specificity of long-range connections. Here we use a computational model to investigate this apparent discrepancy by studying the expected population response using known published anatomical constraints. The dynamics of input-driven localized states were simulated in a planar neural field model with multiple sub-populations encoding orientation. The realistic connectivity profile has parameters controlling the clustering of long-range connections and their orientation bias. We found substantial overlap between the anatomically relevant parameter range and a steep decay in orientation selective activation that is consistent with the imaging experiments. In this way our study reconciles the reported orientation bias of long-range connections with the functional expression of orientation selective neural activity. Our results demonstrate this sharp decay is contingent on three factors, that long-range connections are sufficiently diffuse, that the orientation bias of these connections is in an intermediate range (consistent with anatomy) and that excitation is sufficiently balanced by inhibition. Conversely, our modelling results predict that, for reduced inhibition strength, spurious orientation selective activation could be generated through long-range lateral connections. Furthermore, if the orientation bias of lateral connections is very strong, or if inhibition is particularly weak, the network operates close to an instability leading to unbounded cortical activation.

Toward single-cell analysis by plume collimation in laser ablation electrospray ionization mass spectrometry.

PubMed

Stolee, Jessica A; Vertes, Akos

2013-04-02

Ambient ionization methods for mass spectrometry have enabled the in situ and in vivo analysis of biological tissues and cells. When an etched optical fiber is used to deliver laser energy to a sample in laser ablation electrospray ionization (LAESI) mass spectrometry, the analysis of large single cells becomes possible. However, because in this arrangement the ablation plume expands in three dimensions, only a small portion of it is ionized by the electrospray. Here we show that sample ablation within a capillary helps to confine the radial expansion of the plume. Plume collimation, due to the altered expansion dynamics, leads to greater interaction with the electrospray plume resulting in increased ionization efficiency, reduced limit of detection (by a factor of ~13, reaching 600 amol for verapamil), and extended dynamic range (6 orders of magnitude) compared to conventional LAESI. This enhanced sensitivity enables the analysis of a range of metabolites from small cell populations and single cells in the ambient environment. This technique has the potential to be integrated with flow cytometry for high-throughput metabolite analysis of sorted cells.

A dynamic pressure calibration standard

NASA Technical Reports Server (NTRS)

Schutte, P. C.; Cate, K. H.; Young, S. D.

1985-01-01

A dynamic pressure calibration standard has been developed for calibrating flush diaphragm mounted pressure transducers. Pressures up to 20 kPa (3 psi) have been accurately generated over a frequency range of 50 to 1800 hz. The uncertainty of the standard is +/-5 pct to 5kPa (.75 psi) and +/-10 pct from 5 kPa (.75 psi) to 20 kPa (3 psi). The system consists of two conically shaped, aluminum columns, one 5 cm (2 in.) high for low pressures and another 11 cm (4.3 in.) high for higher pressures, each filled with a viscous fluid. A column is mounted on the armature of a vibration exciter which imparts a sinusoidally varying acceleration to the fluid column. Two pressure transducers mounted at the base of the column sense the sinusoidally varying pressure. This pressure is determined from measurements of the density of the fluid, the height of the fluid, and the acceleration of the column. A section of the taller column is filled with steel balls to control the damping of the fluid to extend its useful frequency range.

Objective quality assessment of tone-mapped images.

PubMed

Yeganeh, Hojatollah; Wang, Zhou

2013-02-01

Tone-mapping operators (TMOs) that convert high dynamic range (HDR) to low dynamic range (LDR) images provide practically useful tools for the visualization of HDR images on standard LDR displays. Different TMOs create different tone-mapped images, and a natural question is which one has the best quality. Without an appropriate quality measure, different TMOs cannot be compared, and further improvement is directionless. Subjective rating may be a reliable evaluation method, but it is expensive and time consuming, and more importantly, is difficult to be embedded into optimization frameworks. Here we propose an objective quality assessment algorithm for tone-mapped images by combining: 1) a multiscale signal fidelity measure on the basis of a modified structural similarity index and 2) a naturalness measure on the basis of intensity statistics of natural images. Validations using independent subject-rated image databases show good correlations between subjective ranking score and the proposed tone-mapped image quality index (TMQI). Furthermore, we demonstrate the extended applications of TMQI using two examples-parameter tuning for TMOs and adaptive fusion of multiple tone-mapped images.

An evaluation of an ICCD imager of dynamic range expansion technique and application of insitu procedures for life-time extension

NASA Technical Reports Server (NTRS)

Currie, D. G.

1982-01-01

Research toward practical implementation of the Intensified Charge Coupled Device (ICCD) as a photon-counting array detector for astronomy is reported. The first area of concentration was to determine the rate and extent of the lifetime limiting damage to the CCD caused by the impact of high energy electrons, and to find whether various methods of annealing the damage were productive. The second effort was to determine the performance of the ICCD in a photon-counting mode to produce extended dynamic range measurements. There are two main effects that appear as the practical results of the electron damage to the CCD. One is an increase in the leakage current, i.e., the normal thermal generation of charge carriers in the silicon that provides a background dark signal that adds to the light produced image. In an undamaged CCD, the leakage current is usually fairly uniform across the photosensitive area of the silicon chip, with the exception of various bright pixels which have an anomalous leakage current well above the overall level.

Faithful Solid State Optical Memory with Dynamically Decoupled Spin Wave Storage

NASA Astrophysics Data System (ADS)

Lovrić, Marko; Suter, Dieter; Ferrier, Alban; Goldner, Philippe

2013-07-01

We report a high fidelity optical memory in which dynamical decoupling is used to extend the storage time. This is demonstrated in a rare-earth doped crystal in which optical coherences were transferred to nuclear spin coherences and then protected against environmental noise by dynamical decoupling, leading to storage times of up to 4.2 ms. An interference experiment shows that relative phases of input pulses are preserved through the whole storage and retrieval process with a visibility ≈1, demonstrating the usefulness of dynamical decoupling for extending the storage time of quantum memories. We also show that dynamical decoupling sequences insensitive to initial spin coherence increase retrieval efficiency.

Faithful solid state optical memory with dynamically decoupled spin wave storage.

PubMed

Lovrić, Marko; Suter, Dieter; Ferrier, Alban; Goldner, Philippe

2013-07-12

We report a high fidelity optical memory in which dynamical decoupling is used to extend the storage time. This is demonstrated in a rare-earth doped crystal in which optical coherences were transferred to nuclear spin coherences and then protected against environmental noise by dynamical decoupling, leading to storage times of up to 4.2 ms. An interference experiment shows that relative phases of input pulses are preserved through the whole storage and retrieval process with a visibility ≈1, demonstrating the usefulness of dynamical decoupling for extending the storage time of quantum memories. We also show that dynamical decoupling sequences insensitive to initial spin coherence increase retrieval efficiency.

Universal self-similar dynamics of relativistic and nonrelativistic field theories near nonthermal fixed points

NASA Astrophysics Data System (ADS)

Piñeiro Orioli, Asier; Boguslavski, Kirill; Berges, Jürgen

2015-07-01

We investigate universal behavior of isolated many-body systems far from equilibrium, which is relevant for a wide range of applications from ultracold quantum gases to high-energy particle physics. The universality is based on the existence of nonthermal fixed points, which represent nonequilibrium attractor solutions with self-similar scaling behavior. The corresponding dynamic universality classes turn out to be remarkably large, encompassing both relativistic as well as nonrelativistic quantum and classical systems. For the examples of nonrelativistic (Gross-Pitaevskii) and relativistic scalar field theory with quartic self-interactions, we demonstrate that infrared scaling exponents as well as scaling functions agree. We perform two independent nonperturbative calculations, first by using classical-statistical lattice simulation techniques and second by applying a vertex-resummed kinetic theory. The latter extends kinetic descriptions to the nonperturbative regime of overoccupied modes. Our results open new perspectives to learn from experiments with cold atoms aspects about the dynamics during the early stages of our universe.

Extended Plefka expansion for stochastic dynamics

NASA Astrophysics Data System (ADS)

Bravi, B.; Sollich, P.; Opper, M.

2016-05-01

We propose an extension of the Plefka expansion, which is well known for the dynamics of discrete spins, to stochastic differential equations with continuous degrees of freedom and exhibiting generic nonlinearities. The scenario is sufficiently general to allow application to e.g. biochemical networks involved in metabolism and regulation. The main feature of our approach is to constrain in the Plefka expansion not just first moments akin to magnetizations, but also second moments, specifically two-time correlations and responses for each degree of freedom. The end result is an effective equation of motion for each single degree of freedom, where couplings to other variables appear as a self-coupling to the past (i.e. memory term) and a coloured noise. This constitutes a new mean field approximation that should become exact in the thermodynamic limit of a large network, for suitably long-ranged couplings. For the analytically tractable case of linear dynamics we establish this exactness explicitly by appeal to spectral methods of random matrix theory, for Gaussian couplings with arbitrary degree of symmetry.

Mathematical modeling of infectious disease dynamics

PubMed Central

Siettos, Constantinos I.; Russo, Lucia

2013-01-01

Over the last years, an intensive worldwide effort is speeding up the developments in the establishment of a global surveillance network for combating pandemics of emergent and re-emergent infectious diseases. Scientists from different fields extending from medicine and molecular biology to computer science and applied mathematics have teamed up for rapid assessment of potentially urgent situations. Toward this aim mathematical modeling plays an important role in efforts that focus on predicting, assessing, and controlling potential outbreaks. To better understand and model the contagious dynamics the impact of numerous variables ranging from the micro host–pathogen level to host-to-host interactions, as well as prevailing ecological, social, economic, and demographic factors across the globe have to be analyzed and thoroughly studied. Here, we present and discuss the main approaches that are used for the surveillance and modeling of infectious disease dynamics. We present the basic concepts underpinning their implementation and practice and for each category we give an annotated list of representative works. PMID:23552814

Filamentation and light bullet formation dynamics in solid-state dielectric media with weak, moderate and strong anomalous group velocity dispersion

NASA Astrophysics Data System (ADS)

Gražulevičiūtė, I.; Garejev, N.; Majus, D.; Jukna, V.; Tamošauskas, G.; Dubietis, A.

2016-02-01

We present a series of measurements, which characterize filamentation dynamics of intense ultrashort laser pulses in the space-time domain, as captured by means of three-dimensional imaging technique in sapphire and fused silica, in the wavelength range of 1.45-2.25 μm, accessing the regimes of weak, moderate and strong anomalous group velocity dispersion (GVD). In the regime of weak anomalous GVD (at 1.45 μm), pulse splitting into two sub-pulses producing a pair of light bullets with spectrally shifted carrier frequencies in both nonlinear media is observed. In contrast, in the regimes of moderate (at 1.8 μm) and strong (at 2.25 μm) anomalous GVD we observe notably different transient dynamics, which however lead to the formation of a single self-compressed quasistationary light bullet with an universal spatiotemporal shape comprised of an extended ring-shaped periphery and a localized intense core that carries the self-compressed pulse.

Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field

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

Gao, Weimin; Niu, Haitao; Lin, Tong

2014-01-28

The behavior of Liquid N,N-dimethylformamide subjected to a wide range of externally applied electric fields (from 0.001 V/nm to 1 V/nm) has been investigated through molecular dynamics simulation. To approach the objective the AMOEBA polarizable force field was extended to include the interaction of the external electric field with atomic partial charges and the contribution to the atomic polarization. The simulation results were evaluated with quantum mechanical calculations. The results from the present force field for the liquid at normal conditions were compared with the experimental and molecular dynamics results with non-polarizable and other polarizable force fields. The uniform externalmore » electric fields of higher than 0.01 V/nm have a significant effect on the structure of the liquid, which exhibits a variation in numerous properties, including molecular polarization, local cluster structure, rotation, alignment, energetics, and bulk thermodynamic and structural properties.« less

Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B 1 TiN

NASA Astrophysics Data System (ADS)

Gambino, D.; Sangiovanni, D. G.; Alling, B.; Abrikosov, I. A.

2017-09-01

We use the color diffusion (CD) algorithm in nonequilibrium (accelerated) ab initio molecular dynamics simulations to determine Ti monovacancy jump frequencies in NaCl-structure titanium nitride (TiN), at temperatures ranging from 2200 to 3000 K. Our results show that the CD method extended beyond the linear-fitting rate-versus-force regime [Sangiovanni et al., Phys. Rev. B 93, 094305 (2016), 10.1103/PhysRevB.93.094305] can efficiently determine metal vacancy migration rates in TiN, despite the low mobilities of lattice defects in this type of ceramic compound. We propose a computational method based on gamma-distribution statistics, which provides unambiguous definition of nonequilibrium and equilibrium (extrapolated) vacancy jump rates with corresponding statistical uncertainties. The acceleration-factor achieved in our implementation of nonequilibrium molecular dynamics increases dramatically for decreasing temperatures from 500 for T close to the melting point Tm, up to 33 000 for T ≈0.7 Tm .

Asynchronous spatial evolutionary games.

PubMed

Newth, David; Cornforth, David

2009-02-01

Over the past 50 years, much attention has been given to the Prisoner's Dilemma as a metaphor for problems surrounding the evolution and maintenance of cooperative and altruistic behavior. The bulk of this work has dealt with the successfulness and robustness of various strategies. Nowak and May (1992) considered an alternative approach to studying evolutionary games. They assumed that players were distributed across a two-dimensional (2D) lattice, interactions between players occurred locally, rather than at long range as in the well mixed situation. The resulting spatial evolutionary games display dynamics not seen in their well-mixed counterparts. An assumption underlying much of the work on spatial evolutionary games is that the state of all players is updated in unison or in synchrony. Using the framework outlined in Nowak and May (1992), we examine the effect of various asynchronous updating schemes on the dynamics of spatial evolutionary games. There are potential implications for the dynamics of a wide variety of spatially extended systems in biology, physics and chemistry.

4D multiple-cathode ultrafast electron microscopy

PubMed Central

Baskin, John Spencer; Liu, Haihua; Zewail, Ahmed H.

2014-01-01

Four-dimensional multiple-cathode ultrafast electron microscopy is developed to enable the capture of multiple images at ultrashort time intervals for a single microscopic dynamic process. The dynamic process is initiated in the specimen by one femtosecond light pulse and probed by multiple packets of electrons generated by one UV laser pulse impinging on multiple, spatially distinct, cathode surfaces. Each packet is distinctly recorded, with timing and detector location controlled by the cathode configuration. In the first demonstration, two packets of electrons on each image frame (of the CCD) probe different times, separated by 19 picoseconds, in the evolution of the diffraction of a gold film following femtosecond heating. Future elaborations of this concept to extend its capabilities and expand the range of applications of 4D ultrafast electron microscopy are discussed. The proof-of-principle demonstration reported here provides a path toward the imaging of irreversible ultrafast phenomena of materials, and opens the door to studies involving the single-frame capture of ultrafast dynamics using single-pump/multiple-probe, embedded stroboscopic imaging. PMID:25006261

4D multiple-cathode ultrafast electron microscopy.

PubMed

Baskin, John Spencer; Liu, Haihua; Zewail, Ahmed H

2014-07-22

Four-dimensional multiple-cathode ultrafast electron microscopy is developed to enable the capture of multiple images at ultrashort time intervals for a single microscopic dynamic process. The dynamic process is initiated in the specimen by one femtosecond light pulse and probed by multiple packets of electrons generated by one UV laser pulse impinging on multiple, spatially distinct, cathode surfaces. Each packet is distinctly recorded, with timing and detector location controlled by the cathode configuration. In the first demonstration, two packets of electrons on each image frame (of the CCD) probe different times, separated by 19 picoseconds, in the evolution of the diffraction of a gold film following femtosecond heating. Future elaborations of this concept to extend its capabilities and expand the range of applications of 4D ultrafast electron microscopy are discussed. The proof-of-principle demonstration reported here provides a path toward the imaging of irreversible ultrafast phenomena of materials, and opens the door to studies involving the single-frame capture of ultrafast dynamics using single-pump/multiple-probe, embedded stroboscopic imaging.

Centroid estimation for a Shack-Hartmann wavefront sensor based on stream processing.

PubMed

Kong, Fanpeng; Polo, Manuel Cegarra; Lambert, Andrew

2017-08-10

Using center of gravity to estimate the centroid of the spot in a Shack-Hartmann wavefront sensor, the measurement corrupts with photon and detector noise. Parameters, like window size, often require careful optimization to balance the noise error, dynamic range, and linearity of the response coefficient under different photon flux. It also needs to be substituted by the correlation method for extended sources. We propose a centroid estimator based on stream processing, where the center of gravity calculation window floats with the incoming pixel from the detector. In comparison with conventional methods, we show that the proposed estimator simplifies the choice of optimized parameters, provides a unit linear coefficient response, and reduces the influence of background and noise. It is shown that the stream-based centroid estimator also works well for limited size extended sources. A hardware implementation of the proposed estimator is discussed.

Extension of the Viscous Collision Limiting Direct Simulation Monte Carlo Technique to Multiple Species

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Burt, Jonathan M.

2016-01-01

There are many flows fields that span a wide range of length scales where regions of both rarefied and continuum flow exist and neither direct simulation Monte Carlo (DSMC) nor computational fluid dynamics (CFD) provide the appropriate solution everywhere. Recently, a new viscous collision limited (VCL) DSMC technique was proposed to incorporate effects of physical diffusion into collision limiter calculations to make the low Knudsen number regime normally limited to CFD more tractable for an all-particle technique. This original work had been derived for a single species gas. The current work extends the VCL-DSMC technique to gases with multiple species. Similar derivations were performed to equate numerical and physical transport coefficients. However, a more rigorous treatment of determining the mixture viscosity is applied. In the original work, consideration was given to internal energy non-equilibrium, and this is also extended in the current work to chemical non-equilibrium.

LEED STUDY OF Ag(111)-(√ 7×√ 7)R19.1^o-4Ar

NASA Astrophysics Data System (ADS)

Caragiu, Mellita; Diehl, Renee D.; Leatherman, Gerry S.

2000-03-01

Recent LEED studies of the adsorption geometries of Xe and Kr on metal surfaces have indicated that, contrary to expectations, the low-coordination adsorption sites are generally preferred, even on relatively corrugated surfaces such as Cu(1\\overline 1 0). This study extends the range of this phenomenon to include Ar. On Ag(111), Ar can form a commensurate structure, Ag(111)-(√ 7×√ 7)R19.1^o-4Ar, if the step sites are first blocked by preadsorbing another species such as CO. A dynamical LEED analysis of this structure at 33K indicates that the structure includes one atom per unit cell on a top site and the remaining three on bridge sites. This structure is clearly preferred over ones in which hollow sites are occupied, providing evidence that the preference of noble gases atoms for low-coordination sites on metals extends to Ar.

Statistical properties of bidimensional patterns generated from delayed and extended maps

NASA Astrophysics Data System (ADS)

Giacomelli, Giovanni; Lepri, Stefano; Politi, Antonio

1995-05-01

The space-time chaotic patterns associated with a class of dynamical systems ranging from delayed to extended maps are investigated. All the systems are constructed in such a way that the corresponding two-dimensional (2D) representation is characterized by the same updating rule in the bulk. The main difference among them is the direction of the ``time'' axis in the plane. Despite the different causality relations among the various models, the resulting patterns are shown to be statistically equivalent. In particular, the Kolmogorov-Sinai entropy density assumes always the same value. Therefore, it can be considered as an absolute indicator, measuring the amount of disorder of a 2D pattern. The Kaplan-Yorke dimension density is instead rule dependent: this indicator alone cannot be used to quantify the degrees of freedom of a given pattern; one must further specify the direction of propagation in the plane.

Fluorescence dynamics of biological systems using synchrotron radiation

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

Gratton, E.; Mantulin, W.W.; Weber, G.

1996-09-01

A beamline for time-resolved fluorescence spectroscopy of biological systems is under construction at the Synchrotron Radiation Center. The fluorometer, operating in the frequency domain, will take advantage of the time structure of the synchrotron radiation light pulses to determine fluorescence lifetimes. Using frequency-domain techniques, the instrument can achieve an ultimate time resolution on the order of picoseconds. Preliminary experiments have shown that reducing the intensity of one of the fifteen electron bunches in the storage ring allows measurement of harmonic frequencies equivalent to the single-bunch mode. This mode of operation of the synchrotron significantly extends the range of lifetimes thatmore » can be measured. The wavelength range (encompassing the visible and ultraviolet), the range of measurable lifetimes, and the stability and reproducibility of the storage ring pulses should make this beamline a versatile tool for the investigation of the complex fluorescence decay of biological systems. {copyright} {ital 1996 American Institute of Physics.}« less

Development and testing of the ultraviolet spectrometer for the Mariner Mars 1971 spacecraft

NASA Technical Reports Server (NTRS)

Farrar, J. W.

1972-01-01

The Mariner Mars 1971 ultraviolet spectrometer is an Ebert-Fastie type of the same basic design as the Mariner Mars 1969 instrument. Light enters the instrument and is split into component wavelengths by a scanning reflection diffraction grating. Two monochrometer exit slits allow the use of two independent photomultiplier tube sensors. Channel 1 has a spectral range of 1100 to 1692 A with a fixed gain, while Channel 2 has a spectral range of 1450 to 3528 A with an automatic step gain control, providing a dynamic range over the expected atmosphere and surface brightness of Mars. The scientific objectives, basic operation, design, testing, and calibration for the Mariner Mars 1971 ultraviolet spectrometer are described. The design discussion includes those modifications that were necessary to extend the lifetime of the instrument in order to accomplish the Mariner Mars 1971 mission objectives.

Small Stirling dynamic isotope power system for robotic space missions

NASA Technical Reports Server (NTRS)

Bents, D. J.

1992-01-01

The design of a multihundred-watt Dynamic Isotope Power System (DIPS), based on the U.S. Department of Energy (DOE) General Purpose Heat Source (GPHS) and small (multihundred-watt) free-piston Stirling engine (FPSE), is being pursued as a potential lower cost alternative to radioisotope thermoelectric generators (RTG's). The design is targeted at the power needs of future unmanned deep space and planetary surface exploration missions ranging from scientific probes to Space Exploration Initiative precursor missions. Power level for these missions is less than a kilowatt. The incentive for any dynamic system is that it can save fuel and reduce costs and radiological hazard. Unlike DIPS based on turbomachinery conversion (e.g. Brayton), this small Stirling DIPS can be advantageously scaled to multihundred-watt unit size while preserving size and mass competitiveness with RTG's. Stirling conversion extends the competitive range for dynamic systems down to a few hundred watts--a power level not previously considered for dynamic systems. The challenge for Stirling conversion will be to demonstrate reliability and life similar to RTG experience. Since the competitive potential of FPSE as an isotope converter was first identified, work has focused on feasibility of directly integrating GPHS with the Stirling heater head. Thermal modeling of various radiatively coupled heat source/heater head geometries has been performed using data furnished by the developers of FPSE and GPHS. The analysis indicates that, for the 1050 K heater head configurations considered, GPHS fuel clad temperatures remain within acceptable operating limits. Based on these results, preliminary characterizations of multihundred-watt units have been established.

Dynamic cross-correlations between entangled biofilaments as they diffuse

PubMed Central

Tsang, Boyce; Dell, Zachary E.; Jiang, Lingxiang; Schweizer, Kenneth S.; Granick, Steve

2017-01-01

Entanglement in polymer and biological physics involves a state in which linear interthreaded macromolecules in isotropic liquids diffuse in a spatially anisotropic manner beyond a characteristic mesoscopic time and length scale (tube diameter). The physical reason is that linear macromolecules become transiently localized in directions transverse to their backbone but diffuse with relative ease parallel to it. Within the resulting broad spectrum of relaxation times there is an extended period before the longest relaxation time when filaments occupy a time-averaged cylindrical space of near-constant density. Here we show its implication with experiments based on fluorescence tracking of dilutely labeled macromolecules. The entangled pairs of aqueous F-actin biofilaments diffuse with separation-dependent dynamic cross-correlations that exceed those expected from continuum hydrodynamics up to strikingly large spatial distances of ≈15 µm, which is more than 104 times the size of the solvent water molecules in which they are dissolved, and is more than 50 times the dynamic tube diameter, but is almost equal to the filament length. Modeling this entangled system as a collection of rigid rods, we present a statistical mechanical theory that predicts these long-range dynamic correlations as an emergent consequence of an effective long-range interpolymer repulsion due to the de Gennes correlation hole, which is a combined consequence of chain connectivity and uncrossability. The key physical assumption needed to make theory and experiment agree is that solutions of entangled biofilaments localized in tubes that are effectively dynamically incompressible over the relevant intermediate time and length scales. PMID:28283664

InfoSymbiotics/DDDAS - The power of Dynamic Data Driven Applications Systems for New Capabilities in Environmental -, Geo-, and Space- Sciences

NASA Astrophysics Data System (ADS)

Darema, F.

2016-12-01

InfoSymbiotics/DDDAS embodies the power of Dynamic Data Driven Applications Systems (DDDAS), a concept whereby an executing application model is dynamically integrated, in a feed-back loop, with the real-time data-acquisition and control components, as well as other data sources of the application system. Advanced capabilities can be created through such new computational approaches in modeling and simulations, and in instrumentation methods, and include: enhancing the accuracy of the application model; speeding-up the computation to allow faster and more comprehensive models of a system, and create decision support systems with the accuracy of full-scale simulations; in addition, the notion of controlling instrumentation processes by the executing application results in more efficient management of application-data and addresses challenges of how to architect and dynamically manage large sets of heterogeneous sensors and controllers, an advance over the static and ad-hoc ways of today - with DDDAS these sets of resources can be managed adaptively and in optimized ways. Large-Scale-Dynamic-Data encompasses the next wave of Big Data, and namely dynamic data arising from ubiquitous sensing and control in engineered, natural, and societal systems, through multitudes of heterogeneous sensors and controllers instrumenting these systems, and where opportunities and challenges at these "large-scales" relate not only to data size but the heterogeneity in data, data collection modalities, fidelities, and timescales, ranging from real-time data to archival data. In tandem with this important dimension of dynamic data, there is an extended view of Big Computing, which includes the collective computing by networked assemblies of multitudes of sensors and controllers, this range from the high-end to the real-time seamlessly integrated and unified, and comprising the Large-Scale-Big-Computing. InfoSymbiotics/DDDAS engenders transformative impact in many application domains, ranging from the nano-scale to the terra-scale and to the extra-terra-scale. The talk will address opportunities for new capabilities together with corresponding research challenges, with illustrative examples from several application areas including environmental sciences, geosciences, and space sciences.

Structure determination from XAFS using high-accuracy measurements of x-ray mass attenuation coefficients of silver, 11 keV-28 keV, and development of an all-energies approach to local dynamical analysis of bond length, revealing variation of effective thermal contributions across the XAFS spectrum.

PubMed

Tantau, L J; Chantler, C T; Bourke, J D; Islam, M T; Payne, A T; Rae, N A; Tran, C Q

2015-07-08

We use the x-ray extended range technique (XERT) to experimentally determine the mass attenuation coefficient of silver in the x-ray energy range 11 kev-28 kev including the silver K absorption edge. The results are accurate to better than 0.1%, permitting critical tests of atomic and solid state theory. This is one of the most accurate demonstrations of cross-platform accuracy in synchrotron studies thus far. We derive the mass absorption coefficients and the imaginary component of the form factor over this range. We apply conventional XAFS analytic techniques, extended to include error propagation and uncertainty, yielding bond lengths accurate to approximately 0.24% and thermal Debye-Waller parameters accurate to 30%. We then introduce the FDMX technique for accurate analysis of such data across the full XAFS spectrum, built on full-potential theory, yielding a bond length accuracy of order 0.1% and the demonstration that a single Debye parameter is inadequate and inconsistent across the XAFS range. Two effective Debye-Waller parameters are determined: a high-energy value based on the highly-correlated motion of bonded atoms (σ(DW) = 0.1413(21) Å), and an uncorrelated bulk value (σ(DW) = 0.1766(9) Å) in good agreement with that derived from (room-temperature) crystallography.

Gibbs Sampler-Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation.

PubMed

Ding, Xinqiang; Vilseck, Jonah Z; Hayes, Ryan L; Brooks, Charles L

2017-06-13

λ-dynamics is a generalized ensemble method for alchemical free energy calculations. In traditional λ-dynamics, the alchemical switch variable λ is treated as a continuous variable ranging from 0 to 1 and an empirical estimator is utilized to approximate the free energy. In the present article, we describe an alternative formulation of λ-dynamics that utilizes the Gibbs sampler framework, which we call Gibbs sampler-based λ-dynamics (GSLD). GSLD, like traditional λ-dynamics, can be readily extended to calculate free energy differences between multiple ligands in one simulation. We also introduce a new free energy estimator, the Rao-Blackwell estimator (RBE), for use in conjunction with GSLD. Compared with the current empirical estimator, the advantage of RBE is that RBE is an unbiased estimator and its variance is usually smaller than the current empirical estimator. We also show that the multistate Bennett acceptance ratio equation or the unbinned weighted histogram analysis method equation can be derived using the RBE. We illustrate the use and performance of this new free energy computational framework by application to a simple harmonic system as well as relevant calculations of small molecule relative free energies of solvation and binding to a protein receptor. Our findings demonstrate consistent and improved performance compared with conventional alchemical free energy methods.

Nonlinear dynamics of global atmospheric and Earth-system processes

NASA Technical Reports Server (NTRS)

Saltzman, Barry; Ebisuzaki, Wesley; Maasch, Kirk A.; Oglesby, Robert; Pandolfo, Lionel

1990-01-01

Researchers are continuing their studies of the nonlinear dynamics of global weather systems. Sensitivity analyses of large-scale dynamical models of the atmosphere (i.e., general circulation models i.e., GCM's) were performed to establish the role of satellite-signatures of soil moisture, sea surface temperature, snow cover, and sea ice as crucial boundary conditions determining global weather variability. To complete their study of the bimodality of the planetary wave states, they are using the dynamical systems approach to construct a low-order theoretical explanation of this phenomenon. This work should have important implications for extended range forecasting of low-frequency oscillations, elucidating the mechanisms for the transitions between the two wave modes. Researchers are using the methods of jump analysis and attractor dimension analysis to examine the long-term satellite records of significant variables (e.g., long wave radiation, and cloud amount), to explore the nature of mode transitions in the atmosphere, and to determine the minimum number of equations needed to describe the main weather variations with a low-order dynamical system. Where feasible they will continue to explore the applicability of the methods of complex dynamical systems analysis to the study of the global earth-system from an integrative viewpoint involving the roles of geochemical cycling and the interactive behavior of the atmosphere, hydrosphere, and biosphere.

Inner Radiation Belt Dynamics and Climatology

NASA Astrophysics Data System (ADS)

Guild, T. B.; O'Brien, P. P.; Looper, M. D.

2012-12-01

We present preliminary results of inner belt proton data assimilation using an augmented version of the Selesnick et al. Inner Zone Model (SIZM). By varying modeled physics parameters and solar particle injection parameters to generate many ensembles of the inner belt, then optimizing the ensemble weights according to inner belt observations from SAMPEX/PET at LEO and HEO/DOS at high altitude, we obtain the best-fit state of the inner belt. We need to fully sample the range of solar proton injection sources among the ensemble members to ensure reasonable agreement between the model ensembles and observations. Once this is accomplished, we find the method is fairly robust. We will demonstrate the data assimilation by presenting an extended interval of solar proton injections and losses, illustrating how these short-term dynamics dominate long-term inner belt climatology.

Event detection and localization for small mobile robots using reservoir computing.

PubMed

Antonelo, E A; Schrauwen, B; Stroobandt, D

2008-08-01

Reservoir Computing (RC) techniques use a fixed (usually randomly created) recurrent neural network, or more generally any dynamic system, which operates at the edge of stability, where only a linear static readout output layer is trained by standard linear regression methods. In this work, RC is used for detecting complex events in autonomous robot navigation. This can be extended to robot localization tasks which are solely based on a few low-range, high-noise sensory data. The robot thus builds an implicit map of the environment (after learning) that is used for efficient localization by simply processing the input stream of distance sensors. These techniques are demonstrated in both a simple simulation environment and in the physically realistic Webots simulation of the commercially available e-puck robot, using several complex and even dynamic environments.

Glass Forming Ability in the Equilibrium Immiscible Ag-Ta System Studied by Molecular Dynamics Simulation and Ion Beam Mixing

NASA Astrophysics Data System (ADS)

Zhao, Man; Dai, Xiaodong; Shen, Yixiong; Liu, Baixin

2008-07-01

For the equilibrium immiscible Ag-Ta system characterized by a positive heat of formation of +23 kJ/mol, a proved realistic extended Finnis-Sinclair potential is applied to study the crystal-to-amorphous transition through molecular dynamics simulations and a glass-forming range (GFR) of the Ag-Ta system is determined to be from 10 to 80 at. % of Ta, within which a disordered state is energetically favored than its crystalline counterpart of solid solution. In experiment, the uniform amorphous phases are indeed obtained, by ion beam mixing of far-from-equilibrium, in the Ag38Ta62, Ag30Ta70 and Ag20Ta80 Ag-Ta multilayered films, which fall within the GFR and thus confirm the relevance of the calculated GFR of the system.

Equation of state of solid, liquid and gaseous tantalum from first principles

DOE PAGES

Miljacic, Ljubomir; Demers, Steven; Hong, Qi-Jun; ...

2015-09-18

Here, we present ab initio calculations of the phase diagram and the equation of state of Ta in a wide range of volumes and temperatures, with volumes from 9 to 180 Å 3/atom, temperature as high as 20000 K, and pressure up to 7 Mbars. The calculations are based on first principles, in combination with techniques of molecular dynamics, thermodynamic integration, and statistical modeling. Multiple phases are studied, including the solid, fluid, and gas single phases, as well as two-phase coexistences. We calculate the critical point by direct molecular dynamics sampling, and extend the equation of state to very lowmore » density through virial series fitting. The accuracy of the equation of state is assessed by comparing both the predicted melting curve and the critical point with previous experimental and theoretical investigations.« less

Evolution of a Greenland Ice sheet Including Shelves and Regional Sea Level Variations

NASA Astrophysics Data System (ADS)

Bradley, S.; Reerink, T.; Vandewal, R.; Helsen, M.

2015-12-01

Observational evidence, including offshore moraines and marine sediment cores infer that at the Last Glacial maximum (LGM) the Greenland ice sheet (GIS) grounded out across the Davis Strait into Baffin Bay, with fast flowing ice streams extending out to the continental shelf break along the NW margin. These observations lead to a number of questions as to weather the GIS and Laurentide ice sheet (LIS) coalesced during glacial maximums, and if so, did a significant ice shelf develop across Baffin Bay and how would such a configuration impact on the relative contribution of these ice sheets to eustatic sea level (ESL). Most previous paleo ice sheet modelling simulations of the GIS recreated an ice sheet that either did not extend out onto the continental shelf or utilised a simplified marine ice parameterisation to recreate an extended GIS, and therefore did not fully include ice shelf dynamics. In this study we simulate the evolution of the GIS from 220 kyr BP to present day using IMAU-ice; a 3D thermodynamical ice sheet model which fully accounts for grounded and floating ice, calculates grounding line migration and ice shelf dynamics. There is few observational estimates of long-term (yrs) sub marine basal melting rates (mbm) for the GIS. Therefore we investigate a range of relationships to constrain the spatial and temporal parameterisation of mbm within IMAU-ice related to changes in paleo water depth, driven by changes in relative sea level and ocean temperature. We will present results of how changes in the mbm directly impacts on the ice sheet dynamics, timing and spatial extent of the GIS at the glacial maximums, but also on the rate of retreat and spatial extent at the Last interglacial (LIG) minimum. Initial results indicate that with the inclusion of ice shelf dynamics, a larger GIS is generated which is grounded out into Davis strait, up to a water depth of -750 m, but the total contribution to LIG ESL is reduced by up to 0.6 m.

Extended-range high-resolution dynamical downscaling over a continental-scale spatial domain with atmospheric and surface nudging

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

Extended-range high-resolution mesoscale simulations with limited-area atmospheric models when applied to downscale regional analysis fields over large spatial domains can provide valuable information for many applications including the weather-dependent renewable energy industry. Long-term simulations over a continental-scale spatial domain, however, require mechanisms to control the large-scale deviations in the high-resolution simulated fields from the coarse-resolution driving fields. As enforcement of the lateral boundary conditions is insufficient to restrict such deviations, large scales in the simulated high-resolution meteorological fields are therefore spectrally nudged toward the driving fields. Different spectral nudging approaches, including the appropriate nudging length scales as well as the vertical profiles and temporal relaxations for nudging, have been investigated to propose an optimal nudging strategy. Impacts of time-varying nudging and generation of hourly analysis estimates are explored to circumvent problems arising from the coarse temporal resolution of the regional analysis fields. Although controlling the evolution of the atmospheric large scales generally improves the outputs of high-resolution mesoscale simulations within the surface layer, the prognostically evolving surface fields can nevertheless deviate from their expected values leading to significant inaccuracies in the predicted surface layer meteorology. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil moisture, and snow conditions, toward their expected values obtained from a high-resolution offline surface scheme is therefore proposed to limit any considerable deviation. Finally, wind speed and temperature at wind turbine hub height predicted by different spectrally nudged extended-range simulations are compared against observations to demonstrate possible improvements achievable using higher spatiotemporal resolution.

Enhanced understanding of the MHD dynamics and ELM control experiments in KSTAR

NASA Astrophysics Data System (ADS)

Park, Hyeon K.

2013-10-01

In KSTAR, H-mode discharges have been achieved reliably at toroidal fields from 1.4 to 3.5 T with a heating power of ~ 5 MW. Using real-time plasma shape control the flattop time in H-mode has been extended to over ~ 16 s at 600 kA in the 2012 campaign and the extended plasma operation boundary has surpassed the n = 1 no-wall limit with βN /li up to 4.1. In order to achieve a high beta steady state operation in KSTAR, establishment of predictive MHD simulation and first-principle-based control of the harmful MHD are the first steps. Visualization of MHD dynamics via a 2-D Electron Cyclotron Emission Imaging (ECEI) has significantly enhanced the level of understanding of the MHD dynamics. Following the first 2-D ELM measurements in H-mode plasmas in KSTAR the measured 2-D ELM images were compared with synthetic images from the BOUT + + code. The physics of ELMs is characterized based on a wide range of measured mode numbers (n, m) local magnetic shear and pressure gradients. The observed ELM dynamics during control experiments have been enlightening and consistent with the stability models. Near the q ~ 2 surface, the island width and Δ' of the m = 2 tearing mode have been verified through the modified Rutherford model based on the 2-D images. With the aid of a second (toroidally separated) ECEI system installed in the 2012 KSTAR campaign, a 3-D reconstruction of the MHD instabilities has allowed further validation of the computed magnetic field pitch angles, rotation speeds, and toroidal asymmetries of the MHDs Work supported by NRF of Korea under contract No. 20120005920 and the U.S. DoE under contract No. DE-FG-02-99ER54531.

Hyperspectral remote sensing of plant pigments.

PubMed

Blackburn, George Alan

2007-01-01

The dynamics of pigment concentrations are diagnostic of a range of plant physiological properties and processes. This paper appraises the developing technologies and analytical methods for quantifying pigments non-destructively and repeatedly across a range of spatial scales using hyperspectral remote sensing. Progress in deriving predictive relationships between various characteristics and transforms of hyperspectral reflectance data are evaluated and the roles of leaf and canopy radiative transfer models are reviewed. Requirements are identified for more extensive intercomparisons of different approaches and for further work on the strategies for interpreting canopy scale data. The paper examines the prospects for extending research to the wider range of pigments in addition to chlorophyll, testing emerging methods of hyperspectral analysis and exploring the fusion of hyperspectral and LIDAR remote sensing. In spite of these opportunities for further development and the refinement of techniques, current evidence of an expanding range of applications in the ecophysiological, environmental, agricultural, and forestry sciences highlights the growing value of hyperspectral remote sensing of plant pigments.

A survey of instabilities within centrifugal pumps and concepts for improving the flow range of pumps in rocket engines

NASA Technical Reports Server (NTRS)

Veres, Joseph P.

1992-01-01

Design features and concepts that have primary influence on the stable operating flow range of propellant-feed centrifugal turbopumps in a rocket engine are discussed. One of the throttling limitations of a pump-fed rocket engine is the stable operating range of the pump. Several varieties of pump hydraulic instabilities are mentioned. Some pump design criteria are summarized and a qualitative correlation of key parameters to pump stall and surge are referenced. Some of the design criteria were taken from the literature on high pressure ratio centrifugal compressors. Therefore, these have yet to be validated for extending the stable operating flow range of high-head pumps. Casing treatment devices, dynamic fluid-damping plenums, backflow-stabilizing vanes and flow-reinjection techniques are summarized. A planned program was undertaken at LeRC to validate these concepts. Technologies developed by this program will be available for the design of turbopumps for advanced space rocket engines for use by NASA in future space missions where throttling is essential.

New clues to the cause of extended main-sequence turnoffs in intermediate-age star clusters in the Magellanic Clouds

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

Correnti, Matteo; Goudfrooij, Paul; Kalirai, Jason S.

2014-10-01

We use the Wide Field Camera 3 on board the Hubble Space Telescope (HST) to obtain deep, high-resolution images of two intermediate-age star clusters in the Large Magellanic Cloud of relatively low mass (≈10{sup 4} M {sub ☉}) and significantly different core radii, namely NGC 2209 and NGC 2249. For comparison purposes, we also reanalyzed archival HST images of NGC 1795 and IC 2146, two other relatively low-mass star clusters. From the comparison of the observed color-magnitude diagrams with Monte Carlo simulations, we find that the main-sequence turnoff (MSTO) regions in NGC 2209 and NGC 2249 are significantly wider thanmore » that derived from simulations of simple stellar populations, while those in NGC 1795 and IC 2146 are not. We determine the evolution of the clusters' masses and escape velocities from an age of 10 Myr to the present age. We find that differences among these clusters can be explained by dynamical evolution arguments if the currently extended clusters (NGC 2209 and IC 2146) experienced stronger levels of initial mass segregation than the currently compact ones (NGC 2249 and NGC 1795). Under this assumption, we find that NGC 2209 and NGC 2249 have estimated escape velocities, V {sub esc} ≳ 15 km s{sup –1} at an age of 10 Myr, large enough to retain material ejected by slow winds of first-generation stars, while the two clusters that do not feature extended MSTOs have V {sub esc} ≲ 12 km s{sup –1} at that age. These results suggest that the extended MSTO phenomenon can be better explained by a range of stellar ages rather than a range of stellar rotation velocities or interacting binaries.« less

A molecular dynamics examination of the relationship between self-diffusion and viscosity in liquid metals.

PubMed

Lü, Yongjun; Cheng, Hao; Chen, Min

2012-06-07

The self-diffusion coefficients D and the viscosities η of elemental Ni, Cu, and Ni-Si alloys have been calculated over a wide temperature range by molecular dynamics simulations. For elemental Ni and Cu, Arrhenius-law variations of D and η with temperature dominate. The temperature dependence of Dη can be approximated by a linear relation, whereas the Stokes-Einstein relation is violated. The calculations of D and η are extended to the regions close to the crystallization of Ni(95)Si(5), Ni(90)Si(10), and the glass transitions of Ni(80)Si(20) and Ni(75)Si(25). The results show that both D and η strongly deviate from the Arrhenius law in the vicinity of phase transitions, exhibiting a power-law divergence. We find a decoupling of diffusion and viscous flow just above the crystallization of Ni(95)Si(5) and Ni(90)Si(10). For the two glass-forming alloys, Ni(80)Si(20) and Ni(75)Si(25), the relation Dη = const is obeyed as the glass transition is approached, indicating a dynamic coupling as predicted by the mode-coupling theory. This coupling is enhanced with increasing Si composition and at 25%, Si spans a wide temperature range through the melting point. The decoupling is found to be related to the distribution of local ordered structure in the melts. The power-law governing the growth of solid-like clusters prior to crystallization creates a dynamic heterogeneity responsible for decoupling.

A molecular dynamics examination of the relationship between self-diffusion and viscosity in liquid metals

NASA Astrophysics Data System (ADS)

Lü, Yongjun; Cheng, Hao; Chen, Min

2012-06-01

The self-diffusion coefficients D and the viscosities η of elemental Ni, Cu, and Ni-Si alloys have been calculated over a wide temperature range by molecular dynamics simulations. For elemental Ni and Cu, Arrhenius-law variations of D and η with temperature dominate. The temperature dependence of Dη can be approximated by a linear relation, whereas the Stokes-Einstein relation is violated. The calculations of D and η are extended to the regions close to the crystallization of Ni95Si5, Ni90Si10, and the glass transitions of Ni80Si20 and Ni75Si25. The results show that both D and η strongly deviate from the Arrhenius law in the vicinity of phase transitions, exhibiting a power-law divergence. We find a decoupling of diffusion and viscous flow just above the crystallization of Ni95Si5 and Ni90Si10. For the two glass-forming alloys, Ni80Si20 and Ni75Si25, the relation Dη = const is obeyed as the glass transition is approached, indicating a dynamic coupling as predicted by the mode-coupling theory. This coupling is enhanced with increasing Si composition and at 25%, Si spans a wide temperature range through the melting point. The decoupling is found to be related to the distribution of local ordered structure in the melts. The power-law governing the growth of solid-like clusters prior to crystallization creates a dynamic heterogeneity responsible for decoupling.

A Low-Noise, Wideband Preamplifier for a Fourier-Transform Ion Cyclotron Resonance Mass Spectrometer

PubMed Central

Mathur, Raman; Knepper, Ronald W.; O'Connor, Peter B.

2009-01-01

FTMS performance parameters such as limits of detection, dynamic range, sensitivity, and even mass accuracy and resolution can be greatly improved by enhancing its detection circuit. An extended investigation of significant design considerations for optimal signal-to-noise ratio in an FTMS detection circuit are presented. A low noise amplifier for an FTMS is developed based on the discussed design rules. The amplifier has a gain of ≈ 3500 and a bandwidth of 10 kHz - 1 MHz corresponding to m/z range of 100 Da to 10 kDa (at 7 Tesla). The performance of the amplifier was tested on a MALDI-FTMS, and has demonstrated a 25-fold reduction in noise in a mass spectrum of C60 compared to that of a commercial amplifier. PMID:18029195

Hamilton-Jacobi-Bellman equations and approximate dynamic programming on time scales.

PubMed

Seiffertt, John; Sanyal, Suman; Wunsch, Donald C

2008-08-01

The time scales calculus is a key emerging area of mathematics due to its potential use in a wide variety of multidisciplinary applications. We extend this calculus to approximate dynamic programming (ADP). The core backward induction algorithm of dynamic programming is extended from its traditional discrete case to all isolated time scales. Hamilton-Jacobi-Bellman equations, the solution of which is the fundamental problem in the field of dynamic programming, are motivated and proven on time scales. By drawing together the calculus of time scales and the applied area of stochastic control via ADP, we have connected two major fields of research.

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

Kwasniewski, Bartosz K

The construction of reversible extensions of dynamical systems presented in a previous paper by the author and A.V. Lebedev is enhanced, so that it applies to arbitrary mappings (not necessarily with open range). It is based on calculating the maximal ideal space of C*-algebras that extends endomorphisms to partial automorphisms via partial isometric representations, and involves a new set of 'parameters' (the role of parameters is played by chosen sets or ideals). As model examples, we give a thorough description of reversible extensions of logistic maps and a classification of systems associated with compression of unitaries generating homeomorphisms of themore » circle. Bibliography: 34 titles.« less

Proceedings of the 8th Annual Conference on Manual Control

NASA Technical Reports Server (NTRS)

Pew, R. W.

1972-01-01

The volume presents recent developments in the field of manual control theory and applications. The papers give analytical methods as well as examples of the important interplay between man and machine, such as how man controls and stabilizes machine dynamics, and how machines extend man's capability. Included in the broad range of subjects are procedures to evaluate and identify display systems, controllers, manipulators, human operators, aircraft, and non-flying vehicles. Of particular interest is the continuing trend of applying control theory to problems in medicine and psychology, as well as to problems in vehicle control.

X-ray absorption spectroscopy and neutron diffraction study of the perovskite-type rare-earth cobaltites

NASA Astrophysics Data System (ADS)

Sikolenko, V.; Efimova, E.; Franz, A.; Ritter, C.; Troyanchuk, I. O.; Karpinsky, D.; Zubavichus, Y.; Veligzhanin, A.; Tiutiunnikov, S. I.; Sazonov, A.; Efimov, V.

2018-05-01

Correlations between local and long-range structure distortions in the perovskite-type RE1-xSrxCoO3-δ (RE = La, Pr, Nd; x = 0.0 and 0.5) compounds have been studied at room temperature by extended X-ray absorption fine structure (EXAFS) at the Co K-edge and high-resolution neutron powder diffraction (NPD). The use of two complementary experimental techniques allowed us to explore the influence of the type of rare-earth element and strontium substitution on unusual behavior of static and dynamic features of both the Co-O bond lengths.

Three-stage Fabry-Perot liquid crystal tunable filter with extended spectral range.

PubMed

Zheng, Zhenrong; Yang, Guowei; Li, Haifeng; Liu, Xu

2011-01-31

A method to extend spectral range of tunable optical filter is proposed in this paper. Two same tunable Fabry-Perot filters and an additional tunable filter with different free spectral range are cascaded to extend spectral range and reduce sidelobes. Over 400 nm of free spectral range and 4 nm of full width at half maximum of the filter were achieved. Design procedure and simulation are described in detail. An experimental 3-stage tunable Fabry-Perot filter with visible and infrared spectra is demonstrated. The experimental results and the theoretical analysis are presented in detail to verify this method. The results revealed that a compact and extended tunable spectral range of Fabry-Perot filter can be easily attainable by this method.

Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions

DOE PAGES

Godfrin, P. Douglas; Hudson, Steven; Hong, Kunlun; ...

2015-11-24

Although there have been numerous investigations of the glass transition for colloidal dispersions with only a short-ranged attraction, less is understood for systems interacting with a long-ranged repulsion in addition to this attraction, which is ubiquitous in aqueous protein solutions at low ionic strength. Highly puri ed concentrated lysozyme solutions are used as a model system and investigated over a large range of protein concentrations at very low ionic strength. Newtonian liquid behavior is observed at all concentrations, even up to 480 mg/mL, where the zero shear viscosity increases by more than three orders of magnitude with increasing concentration. Remarkably,more » despite this macroscopic liquid-like behavior, the measurements of the dynamics in the short-time limit shows features typical of glassy colloidal systems. Investigation of the inter-protein structure indicates that the reduced short-time mobility of the protein is caused by localized regions of high density within a heterogeneous density distribution. This structural heterogeneity occurs on intermediate range length scale, driven by the competing potential features, and is distinct from commonly studied colloidal gel systems in which a heterogeneous density distribution tends to extend to the whole system. The presence of long-ranged repulsion also allows for more mobility over large length and long time scales resulting in the macroscopic relaxation of the structure. The experimental results provide evidence for the need to explicitly include intermediate range order in theories for the macroscopic properties of protein solutions interacting via competing potential features.« less

All-digital full waveform recording photon counting flash lidar

NASA Astrophysics Data System (ADS)

Grund, Christian J.; Harwit, Alex

2010-08-01

Current generation analog and photon counting flash lidar approaches suffer from limitation in waveform depth, dynamic range, sensitivity, false alarm rates, optical acceptance angle (f/#), optical and electronic cross talk, and pixel density. To address these issues Ball Aerospace is developing a new approach to flash lidar that employs direct coupling of a photocathode and microchannel plate front end to a high-speed, pipelined, all-digital Read Out Integrated Circuit (ROIC) to achieve photon-counting temporal waveform capture in each pixel on each laser return pulse. A unique characteristic is the absence of performance-limiting analog or mixed signal components. When implemented in 65nm CMOS technology, the Ball Intensified Imaging Photon Counting (I2PC) flash lidar FPA technology can record up to 300 photon arrivals in each pixel with 100 ps resolution on each photon return, with up to 6000 range bins in each pixel. The architecture supports near 100% fill factor and fast optical system designs (f/#<1), and array sizes to 3000×3000 pixels. Compared to existing technologies, >60 dB ultimate dynamic range improvement, and >104 reductions in false alarm rates are anticipated, while achieving single photon range precision better than 1cm. I2PC significantly extends long-range and low-power hard target imaging capabilities useful for autonomous hazard avoidance (ALHAT), navigation, imaging vibrometry, and inspection applications, and enables scannerless 3D imaging for distributed target applications such as range-resolved atmospheric remote sensing, vegetation canopies, and camouflage penetration from terrestrial, airborne, GEO, and LEO platforms. We discuss the I2PC architecture, development status, anticipated performance advantages, and limitations.

Extended dynamic model for ion diffusion in all-vanadium redox flow battery including the effects of temperature and bulk electrolyte transfer

NASA Astrophysics Data System (ADS)

Badrinarayanan, Rajagopalan; Zhao, Jiyun; Tseng, K. J.; Skyllas-Kazacos, Maria

2014-12-01

As with all redox flow batteries, the Vanadium Redox flow Battery (VRB) can suffer from capacity loss as the vanadium ions diffuse at different rates leading to a build-up on one half-cell and dilution on the other. In this paper an extended dynamic model of the vanadium ion transfer is developed including the effect of temperature and bulk electrolyte transfer. The model is used to simulate capacity decay for a range of different ion exchange membranes that are being used in the VRB. The simulations show that Selemion CMV and Nafion 115 membranes have similar behavior where the impact of temperature on capacity loss is highest within the first 100 cycles. The results for Selemion AMV membrane however are seen to be very different where the capacity loss at different temperatures observed to increase linearly with increasing charging/discharging cycles. The model is made more comprehensive by including the effect of bulk electrolyte transfer. A volume change of 19% is observed in each half-cell for Nafion 115 membrane based on the simulation parameters. The effect of this change in volume directly affects concentration, and the characteristics are analyzed for each vanadium species as well as the overall concentration in the half-cells.

Computer simulations of polymer chain structure and dynamics on a hypersphere in four-space

NASA Astrophysics Data System (ADS)

Râsmark, Per Johan; Ekholm, Tobias; Elvingson, Christer

2005-05-01

There is a rapidly growing interest in performing computer simulations in a closed space, avoiding periodic boundary conditions. To extend the range of potential systems to include also macromolecules, we describe an algorithm for computer simulations of polymer chain molecules on S3, a hypersphere in four dimensions. In particular, we show how to generate initial conformations with a bond angle distribution given by the persistence length of the chain and how to calculate the bending forces for a molecule moving on S3. Furthermore, we discuss how to describe the shape of a macromolecule on S3, by deriving the radius of gyration tensor in this non-Euclidean space. The results from both Monte Carlo and Brownian dynamics simulations in the infinite dilution limit show that the results on S3 and in R3 coincide, both with respect to the size and shape as well as for the diffusion coefficient. All data on S3 can also be described by master curves by suitable scaling by the corresponding values in R3. We thus show how to extend the use of spherical boundary conditions, which are most effective for calculating electrostatic forces, to polymer chain molecules, making it possible to perform simulations on S3 also for polyelectrolyte systems.

Unmanned Aerial Vehicle (UAV) Dynamic-Tracking Directional Wireless Antennas for Low Powered Applications that Require Reliable Extended Range Operations in Time Critical Scenarios

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

Scott G. Bauer; Matthew O. Anderson; James R. Hanneman

2005-10-01

The proven value of DOD Unmanned Aerial Vehicles (UAVs) will ultimately transition to National and Homeland Security missions that require real-time aerial surveillance, situation awareness, force protection, and sensor placement. Public services first responders who routinely risk personal safety to assess and report a situation for emergency actions will likely be the first to benefit from these new unmanned technologies. ‘Packable’ or ‘Portable’ small class UAVs will be particularly useful to the first responder. They require the least amount of training, no fixed infrastructure, and are capable of being launched and recovered from the point of emergency. All UAVs requiremore » wireless communication technologies for real- time applications. Typically on a small UAV, a low bandwidth telemetry link is required for command and control (C2), and systems health monitoring. If the UAV is equipped with a real-time Electro-Optical or Infrared (EO/Ir) video camera payload, a dedicated high bandwidth analog/digital link is usually required for reliable high-resolution imagery. In most cases, both the wireless telemetry and real-time video links will be integrated into the UAV with unity gain omni-directional antennas. With limited on-board power and payload capacity, a small UAV will be limited with the amount of radio-frequency (RF) energy it transmits to the users. Therefore, ‘packable’ and ‘portable’ UAVs will have limited useful operational ranges for first responders. This paper will discuss the limitations of small UAV wireless communications. The discussion will present an approach of utilizing a dynamic ground based real-time tracking high gain directional antenna to provide extend range stand-off operation, potential RF channel reuse, and assured telemetry and data communications from low-powered UAV deployed wireless assets.« less

Tsallis q-triplet, intermittent turbulence and Portevin-Le Chatelier effect

NASA Astrophysics Data System (ADS)

Iliopoulos, A. C.; Aifantis, E. C.

2018-05-01

In this paper, we extend a previous study concerning Portevin-LeChatelier (PLC) effect and Tsallis statistics (Iliopoulos et al., 2015). In particular, we estimate Tsallis' q-triplet, namely {qstat, qsens, qrel} for two sets of stress serration time series concerning the deformation of Cu-15%Al alloy corresponding to different deformation temperatures and thus types (A and B) of PLC bands. The results concerning the stress serrations analysis reveal that Tsallis q- triplet attains values different from unity ({qstat, qsens, qrel} ≠ {1,1,1}). In particular, PLC type A bands' serrations were found to follow Tsallis super-q-Gaussian, non-extensive, sub-additive, multifractal statistics indicating that the underlying dynamics are at the edge of chaos, characterized by global long range correlations and power law scaling. For PLC type B bands' serrations, the results revealed a Tsallis sub-q-Gaussian, non-extensive, super-additive, multifractal statistical profile. In addition, our results reveal also significant differences in statistical and dynamical features, indicating important variations of the stress field dynamics in terms of rate of entropy production, relaxation dynamics and non-equilibrium meta-stable stationary states. We also estimate parameters commonly used for characterizing fully developed turbulence, such as structure functions and flatness coefficient (F), in order to provide further information about jerky flow underlying dynamics. Finally, we use two multifractal models developed to describe turbulence, namely Arimitsu and Arimitsu (A&A) [2000, 2001] theoretical model which is based on Tsallis statistics and p-model to estimate theoretical multifractal spectrums f(a). Furthermore, we estimate flatness coefficient (F) using a theoretical formula based on Tsallis statistics. The theoretical results are compared with the experimental ones showing a remarkable agreement between modeling and experiment. Finally, the results of this study verify, as well as, extend previous studies which stated that type B and type A PLC bands underlying dynamics are connected with distinct dynamical behavior, namely chaotic behavior for the first and self-organized critical (SOC) behavior for the latter, while they shed new light concerning the turbulent character of the PLC jerky flow.

Propagating waves can explain irregular neural dynamics.

PubMed

Keane, Adam; Gong, Pulin

2015-01-28

Cortical neurons in vivo fire quite irregularly. Previous studies about the origin of such irregular neural dynamics have given rise to two major models: a balanced excitation and inhibition model, and a model of highly synchronized synaptic inputs. To elucidate the network mechanisms underlying synchronized synaptic inputs and account for irregular neural dynamics, we investigate a spatially extended, conductance-based spiking neural network model. We show that propagating wave patterns with complex dynamics emerge from the network model. These waves sweep past neurons, to which they provide highly synchronized synaptic inputs. On the other hand, these patterns only emerge from the network with balanced excitation and inhibition; our model therefore reconciles the two major models of irregular neural dynamics. We further demonstrate that the collective dynamics of propagating wave patterns provides a mechanistic explanation for a range of irregular neural dynamics, including the variability of spike timing, slow firing rate fluctuations, and correlated membrane potential fluctuations. In addition, in our model, the distributions of synaptic conductance and membrane potential are non-Gaussian, consistent with recent experimental data obtained using whole-cell recordings. Our work therefore relates the propagating waves that have been widely observed in the brain to irregular neural dynamics. These results demonstrate that neural firing activity, although appearing highly disordered at the single-neuron level, can form dynamical coherent structures, such as propagating waves at the population level. Copyright © 2015 the authors 0270-6474/15/351591-15$15.00/0.

Prediction and validation of diffusion coefficients in a model drug delivery system using microsecond atomistic molecular dynamics simulation and vapour sorption analysis.

PubMed

Forrey, Christopher; Saylor, David M; Silverstein, Joshua S; Douglas, Jack F; Davis, Eric M; Elabd, Yossef A

2014-10-14

Diffusion of small to medium sized molecules in polymeric medical device materials underlies a broad range of public health concerns related to unintended leaching from or uptake into implantable medical devices. However, obtaining accurate diffusion coefficients for such systems at physiological temperature represents a formidable challenge, both experimentally and computationally. While molecular dynamics simulation has been used to accurately predict the diffusion coefficients, D, of a handful of gases in various polymers, this success has not been extended to molecules larger than gases, e.g., condensable vapours, liquids, and drugs. We present atomistic molecular dynamics simulation predictions of diffusion in a model drug eluting system that represent a dramatic improvement in accuracy compared to previous simulation predictions for comparable systems. We find that, for simulations of insufficient duration, sub-diffusive dynamics can lead to dramatic over-prediction of D. We present useful metrics for monitoring the extent of sub-diffusive dynamics and explore how these metrics correlate to error in D. We also identify a relationship between diffusion and fast dynamics in our system, which may serve as a means to more rapidly predict diffusion in slowly diffusing systems. Our work provides important precedent and essential insights for utilizing atomistic molecular dynamics simulations to predict diffusion coefficients of small to medium sized molecules in condensed soft matter systems.

The effect of two pre-cryopreservation single layer colloidal centrifugation protocols in combination with different freezing extenders on the fragmentation dynamics of thawed equine sperm DNA

PubMed Central

2012-01-01

Background Variability among stallions in terms of semen cryopreservation quality renders it difficult to arrive at a standardized cryopreservation method. Different extenders and processing techniques (such us colloidal centrifugation) are used in order to optimize post-thaw sperm quality. Sperm chromatin integrity analysis is an effective tool for assessing such quality. The aim of the present study was to compare the effect of two single layer colloidal centrifugation protocols (prior to cryopreservation) in combination with three commercial freezing extenders on the post-thaw chromatin integrity of equine sperm samples at different post-thaw incubation (37°C) times (i.e., their DNA fragmentation dynamics). Results Post-thaw DNA fragmentation levels in semen samples subjected to either of the colloidal centrifugation protocols were significantly lower (p<0.05) immediately after thawing and after 4 h of incubation at 37°C compared to samples that underwent standard (control) centrifugation. The use of InraFreeze® extender was associated with significantly less DNA fragmentation than the use of Botu-Crio® extender at 6 h of incubation, and than the use of either Botu-Crio® or Gent® extender at 24 h of incubation (p<0.05). Conclusions These results suggest that single layer colloidal centrifugation performed with extended or raw semen prior to cryopreservation reduces DNA fragmentation during the first four hours after thawing. Further studies are needed to determine the influence of freezing extenders on equine sperm DNA fragmentation dynamics. PMID:23217215

Extended Lagrangian Excited State Molecular Dynamics

DOE PAGES

Bjorgaard, Josiah August; Sheppard, Daniel Glen; Tretiak, Sergei; ...

2018-01-09

In this work, an extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born–Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both formore » the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. In conclusion, the XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree–Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).« less

Extended Lagrangian Excited State Molecular Dynamics

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

Bjorgaard, Josiah August; Sheppard, Daniel Glen; Tretiak, Sergei

In this work, an extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born–Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both formore » the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. In conclusion, the XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree–Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).« less

Extended Lagrangian Excited State Molecular Dynamics.

PubMed

Bjorgaard, J A; Sheppard, D; Tretiak, S; Niklasson, A M N

2018-02-13

An extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both for the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. The XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree-Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).

Extended Lagrangian formulation of charge-constrained tight-binding molecular dynamics.

PubMed

Cawkwell, M J; Coe, J D; Yadav, S K; Liu, X-Y; Niklasson, A M N

2015-06-09

The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [Niklasson, Phys. Rev. Lett., 2008, 100, 123004] has been applied to a tight-binding model under the constraint of local charge neutrality to yield microcanonical trajectories with both precise, long-term energy conservation and a reduced number of self-consistent field optimizations at each time step. The extended Lagrangian molecular dynamics formalism restores time reversal symmetry in the propagation of the electronic degrees of freedom, and it enables the efficient and accurate self-consistent optimization of the chemical potential and atomwise potential energy shifts in the on-site elements of the tight-binding Hamiltonian that are required when enforcing local charge neutrality. These capabilities are illustrated with microcanonical molecular dynamics simulations of a small metallic cluster using an sd-valent tight-binding model for titanium. The effects of weak dissipation on the propagation of the auxiliary degrees of freedom for the chemical potential and on-site Hamiltonian matrix elements that is used to counteract the accumulation of numerical noise during trajectories was also investigated.

Comparative analysis of visual outcomes with 4 intraocular lenses: Monofocal, multifocal, and extended range of vision.

PubMed

Pedrotti, Emilio; Carones, Francesco; Aiello, Francesco; Mastropasqua, Rodolfo; Bruni, Enrico; Bonacci, Erika; Talli, Pietro; Nucci, Carlo; Mariotti, Cesare; Marchini, Giorgio

2018-02-01

To compare the visual acuity, refractive outcomes, and quality of vision in patients with bilateral implantation of 4 intraocular lenses (IOLs). Department of Neurosciences, Biomedicine and Movement Sciences, Eye Clinic, University of Verona, Verona, and Carones Ophthalmology Center, Milano, Italy. Prospective case series. The study included patients who had bilateral cataract surgery with the implantation of 1 of 4 IOLs as follows: Tecnis 1-piece monofocal (monofocal IOL), Tecnis Symfony extended range of vision (extended-range-of-vision IOL), Restor +2.5 diopter (D) (+2.5 D multifocal IOL), and Restor +3.0 D (+3.0 D multifocal IOL). Visual acuity, refractive outcome, defocus curve, objective optical quality, contrast sensitivity, spectacle independence, and glare perception were evaluated 6 months after surgery. The study comprised 185 patients. The extended-range-of-vision IOL (55 patients) showed better distance visual outcomes than the monofocal IOL (30 patients) and high-addition apodized diffractive-refractive multifocal IOLs (P ≤ .002). The +3.0 D multifocal IOL (50 patients) showed the best near visual outcomes (P < .001). The +2.5 D multifocal IOL (50 patients) and extended-range-of-vision IOL provided significantly better intermediate visual outcomes than the other 2 IOLs, with significantly better vision for a defocus level of -1.5 D (P < .001). Better spectacle independence was shown for the +2.5 D multifocal IOL and extended-range-of-vision IOL (P < .001). The extended-range-of-vision IOL and +2.5 D multifocal IOL provided significantly better intermediate visual restoration after cataract surgery than the monofocal IOL and +3.0 D multifocal IOL, with significantly better quality of vision with the extended-range-of-vision IOL. Copyright © 2018 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

Sensitivity analysis of dynamic biological systems with time-delays.

PubMed

Wu, Wu Hsiung; Wang, Feng Sheng; Chang, Maw Shang

2010-10-15

Mathematical modeling has been applied to the study and analysis of complex biological systems for a long time. Some processes in biological systems, such as the gene expression and feedback control in signal transduction networks, involve a time delay. These systems are represented as delay differential equation (DDE) models. Numerical sensitivity analysis of a DDE model by the direct method requires the solutions of model and sensitivity equations with time-delays. The major effort is the computation of Jacobian matrix when computing the solution of sensitivity equations. The computation of partial derivatives of complex equations either by the analytic method or by symbolic manipulation is time consuming, inconvenient, and prone to introduce human errors. To address this problem, an automatic approach to obtain the derivatives of complex functions efficiently and accurately is necessary. We have proposed an efficient algorithm with an adaptive step size control to compute the solution and dynamic sensitivities of biological systems described by ordinal differential equations (ODEs). The adaptive direct-decoupled algorithm is extended to solve the solution and dynamic sensitivities of time-delay systems describing by DDEs. To save the human effort and avoid the human errors in the computation of partial derivatives, an automatic differentiation technique is embedded in the extended algorithm to evaluate the Jacobian matrix. The extended algorithm is implemented and applied to two realistic models with time-delays: the cardiovascular control system and the TNF-α signal transduction network. The results show that the extended algorithm is a good tool for dynamic sensitivity analysis on DDE models with less user intervention. By comparing with direct-coupled methods in theory, the extended algorithm is efficient, accurate, and easy to use for end users without programming background to do dynamic sensitivity analysis on complex biological systems with time-delays.

Modified empirical Solar Radiation Pressure model for IRNSS constellation

NASA Astrophysics Data System (ADS)

Rajaiah, K.; Manamohan, K.; Nirmala, S.; Ratnakara, S. C.

2017-11-01

Navigation with Indian Constellation (NAVIC) also known as Indian Regional Navigation Satellite System (IRNSS) is India's regional navigation system designed to provide position accuracy better than 20 m over India and the region extending to 1500 km around India. The reduced dynamic precise orbit estimation is utilized to determine the orbit broadcast parameters for IRNSS constellation. The estimation is mainly affected by the parameterization of dynamic models especially Solar Radiation Pressure (SRP) model which is a non-gravitational force depending on shape and attitude dynamics of the spacecraft. An empirical nine parameter solar radiation pressure model is developed for IRNSS constellation, using two-way range measurements from IRNSS C-band ranging system. The paper addresses the development of modified SRP empirical model for IRNSS (IRNSS SRP Empirical Model, ISEM). The performance of the ISEM was assessed based on overlap consistency, long term prediction, Satellite Laser Ranging (SLR) residuals and compared with ECOM9, ECOM5 and new-ECOM9 models developed by Center for Orbit Determination in Europe (CODE). For IRNSS Geostationary Earth Orbit (GEO) and Inclined Geosynchronous Orbit (IGSO) satellites, ISEM has shown promising results with overlap RMS error better than 5.3 m and 3.5 m respectively. Long term orbit prediction using numerical integration has improved with error better than 80%, 26% and 7.8% in comparison to ECOM9, ECOM5 and new-ECOM9 respectively. Further, SLR based orbit determination with ISEM shows 70%, 47% and 39% improvement over 10 days orbit prediction in comparison to ECOM9, ECOM5 and new-ECOM9 respectively and also highlights the importance of wide baseline tracking network.

Critical dynamics on a large human Open Connectome network

NASA Astrophysics Data System (ADS)

Ódor, Géza

2016-12-01

Extended numerical simulations of threshold models have been performed on a human brain network with N =836 733 connected nodes available from the Open Connectome Project. While in the case of simple threshold models a sharp discontinuous phase transition without any critical dynamics arises, variable threshold models exhibit extended power-law scaling regions. This is attributed to fact that Griffiths effects, stemming from the topological or interaction heterogeneity of the network, can become relevant if the input sensitivity of nodes is equalized. I have studied the effects of link directness, as well as the consequence of inhibitory connections. Nonuniversal power-law avalanche size and time distributions have been found with exponents agreeing with the values obtained in electrode experiments of the human brain. The dynamical critical region occurs in an extended control parameter space without the assumption of self-organized criticality.

Dynamical quantum phase transitions in extended transverse Ising models

NASA Astrophysics Data System (ADS)

Bhattacharjee, Sourav; Dutta, Amit

2018-04-01

We study the dynamical quantum phase transitions (DQPTs) manifested in the subsequent unitary dynamics of an extended Ising model with an additional three spin interactions following a sudden quench. Revisiting the equilibrium phase diagram of the model, where different quantum phases are characterized by different winding numbers, we show that in some situations the winding number may not change across a gap closing point in the energy spectrum. Although, usually there exists a one-to-one correspondence between the change in winding number and the number of critical time scales associated with DQPTs, we show that the extended nature of interactions may lead to unusual situations. Importantly, we show that in the limit of the cluster Ising model, three critical modes associated with DQPTs become degenerate, thereby leading to a single critical time scale for a given sector of Fisher zeros.

System and method for reducing combustion dynamics in a combustor

DOEpatents

Uhm, Jong Ho; Johnson, Thomas Edward; Zuo, Baifang; York, William David

2015-09-01

A system for reducing combustion dynamics in a combustor includes an end cap having an upstream surface axially separated from a downstream surface, and tube bundles extend from the upstream surface through the downstream surface. A divider inside a tube bundle defines a diluent passage that extends axially through the downstream surface, and a diluent supply in fluid communication with the divider provides diluent flow to the diluent passage. A method for reducing combustion dynamics in a combustor includes flowing a fuel through tube bundles, flowing a diluent through a diluent passage inside a tube bundle, wherein the diluent passage extends axially through at least a portion of the end cap into a combustion chamber, and forming a diluent barrier in the combustion chamber between the tube bundle and at least one other adjacent tube bundle.

Dispersal and behavior of pacific halibut hippoglossus stenolepis in the bering sea and Aleutian islands region

USGS Publications Warehouse

Seitz, A.C.; Loher, Timothy; Norcross, Brenda L.; Nielsen, J.L.

2011-01-01

Currently, it is assumed that eastern Pacific halibut Hippoglossus stenolepis belong to a single, fully mixed population extending from California through the Bering Sea, in which adult halibut disperse randomly throughout their range during their lifetime. However, we hypothesize that hali but dispersal is more complex than currently assumed and is not spatially random. To test this hypo thesis, we studied the seasonal dispersal and behavior of Pacific halibut in the Bering Sea and Aleutian Islands (BSAI). Pop-up Archival Transmitting tags attached to halibut (82 to 154 cm fork length) during the summer provided no evidence that individuals moved out of the Bering Sea and Aleutian Islands region into the Gulf of Alaska during the mid-winter spawning season, supporting the concept that this region contains a separate spawning group of adult halibut. There was evidence for geographically localized groups of halibut along the Aleutian Island chain, as all of the individuals tagged there displayed residency, with their movements possibly impeded by tidal currents in the passes between islands. Mid-winter aggregation areas of halibut are assumed to be spawning grounds, of which 2 were previously unidentified and extend the species' presumed spawning range ~1000 km west and ~600 km north of the nearest documented spawning area. If there are indeed independent spawning groups of Pacific halibut in the BSAI, their dynamics may vary sufficiently from those of the Gulf of Alaska, so that specifically accounting for their relative segregation and unique dynamics within the larger population model will be necessary for correctly predicting how these components may respond to fishing pressure and changing environmental conditions.?? Inter-Research 2011.

Intermolecular correlations are necessary to explain diffuse scattering from protein crystals

DOE PAGES

Peck, Ariana; Poitevin, Frederic; Lane, Thomas Joseph

2018-02-21

Conformational changes drive protein function, including catalysis, allostery, and signaling. X-ray diffuse scattering from protein crystals has frequently been cited as a probe of these correlated motions, with significant potential to advance our understanding of biological dynamics. However, recent work challenged this prevailing view, suggesting instead that diffuse scattering primarily originates from rigid body motions and could therefore be applied to improve structure determination. To investigate the nature of the disorder giving rise to diffuse scattering, and thus the potential applications of this signal, a diverse repertoire of disorder models was assessed for its ability to reproduce the diffuse signalmore » reconstructed from three protein crystals. This comparison revealed that multiple models of intramolecular conformational dynamics, including ensemble models inferred from the Bragg data, could not explain the signal. Models of rigid body or short-range liquid-like motions, in which dynamics are confined to the biological unit, showed modest agreement with the diffuse maps, but were unable to reproduce experimental features indicative of long-range correlations. Extending a model of liquid-like motions to include disorder across neighboring proteins in the crystal significantly improved agreement with all three systems and highlighted the contribution of intermolecular correlations to the observed signal. These findings anticipate a need to account for intermolecular disorder in order to advance the interpretation of diffuse scattering to either extract biological motions or aid structural inference.« less

Interaction Mechanisms of Cavitation Bubbles Induced by Spatially and Temporally Separated fs-Laser Pulses

PubMed Central

Tinne, Nadine; Kaune, Brigitte; Krüger, Alexander; Ripken, Tammo

2014-01-01

The emerging use of femtosecond lasers with high repetition rates in the MHz regime together with limited scan speed implies possible mutual optical and dynamical interaction effects of the individual cutting spots. In order to get more insight into the dynamics a time-resolved photographic analysis of the interaction of cavitation bubbles is presented. Particularly, we investigated the influence of fs-laser pulses and their resulting bubble dynamics with various spatial as well as temporal separations. Different time courses of characteristic interaction effects between the cavitation bubbles were observed depending on pulse energy and spatio-temporal pulse separation. These ranged from merely no interaction to the phenomena of strong water jet formation. Afterwards, the mechanisms are discussed regarding their impact on the medical application of effective tissue cutting lateral to the laser beam direction with best possible axial precision: the mechanical forces of photodisruption as well as the occurring water jet should have low axial extend and a preferably lateral priority. Furthermore, the overall efficiency of energy conversion into controlled mechanical impact should be maximized compared to the transmitted pulse energy and unwanted long range mechanical side effects, e.g. shock waves, axial jet components. In conclusion, these experimental results are of great importance for the prospective optimization of the ophthalmic surgical process with high-repetition rate fs-lasers. PMID:25502697

Intermolecular correlations are necessary to explain diffuse scattering from protein crystals

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

Peck, Ariana; Poitevin, Frederic; Lane, Thomas Joseph

Conformational changes drive protein function, including catalysis, allostery, and signaling. X-ray diffuse scattering from protein crystals has frequently been cited as a probe of these correlated motions, with significant potential to advance our understanding of biological dynamics. However, recent work challenged this prevailing view, suggesting instead that diffuse scattering primarily originates from rigid body motions and could therefore be applied to improve structure determination. To investigate the nature of the disorder giving rise to diffuse scattering, and thus the potential applications of this signal, a diverse repertoire of disorder models was assessed for its ability to reproduce the diffuse signalmore » reconstructed from three protein crystals. This comparison revealed that multiple models of intramolecular conformational dynamics, including ensemble models inferred from the Bragg data, could not explain the signal. Models of rigid body or short-range liquid-like motions, in which dynamics are confined to the biological unit, showed modest agreement with the diffuse maps, but were unable to reproduce experimental features indicative of long-range correlations. Extending a model of liquid-like motions to include disorder across neighboring proteins in the crystal significantly improved agreement with all three systems and highlighted the contribution of intermolecular correlations to the observed signal. These findings anticipate a need to account for intermolecular disorder in order to advance the interpretation of diffuse scattering to either extract biological motions or aid structural inference.« less

Moving to higher ground: The dynamic field theory and the dynamics of visual cognition

PubMed Central

Johnson, Jeffrey S.; Spencer, John P.; Schöner, Gregor

2009-01-01

In the present report, we describe a new dynamic field theory that captures the dynamics of visuo-spatial cognition. This theory grew out of the dynamic systems approach to motor control and development, and is grounded in neural principles. The initial application of dynamic field theory to issues in visuo-spatial cognition extended concepts of the motor approach to decision making in a sensori-motor context, and, more recently, to the dynamics of spatial cognition. Here we extend these concepts still further to address topics in visual cognition, including visual working memory for non-spatial object properties, the processes that underlie change detection, and the ‘binding problem’ in vision. In each case, we demonstrate that the general principles of the dynamic field approach can unify findings in the literature and generate novel predictions. We contend that the application of these concepts to visual cognition avoids the pitfalls of reductionist approaches in cognitive science, and points toward a formal integration of brains, bodies, and behavior. PMID:19173013

Equivalence of Brownian dynamics and dynamic Monte Carlo simulations in multicomponent colloidal suspensions.

PubMed

Cuetos, Alejandro; Patti, Alessandro

2015-08-01

We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.

Indoor emission, dispersion and exposure of total particle-bound polycyclic aromatic hydrocarbons during cooking

NASA Astrophysics Data System (ADS)

Gao, Jun; Jian, Yating; Cao, Changsheng; Chen, Lei; Zhang, Xu

2015-11-01

Cooking processes highly contribute to indoor polycyclic aromatic hydrocarbon (PAH) pollution. High molecular weight and potentially carcinogenic PAHs are generally found attached to small particles, i.e., particulate phase PAHs (PPAHs). Due to the fact that indoor particle dynamics have been clear, describing the indoor dynamics of cooking-generated PPAHs within a specific time span is possible. This paper attempted to quantify the dynamic emission rate, simultaneous spatial dispersion and individual exposure of PPAHs using a cooking source. Experiments were conducted in a real-scale kitchen chamber to elucidate the time-resolved emission and effect of edible oil temperature and mass. Numerical simulations based on indoor particle dynamics were performed to obtain the spatial dispersion and individual inhalation intake of PPAHs under different emission and ventilation conditions. The present work examined the preheating cooking stage, at which edible oil is heated up to beyond its smoke point. The dynamic emission rate peak point occurred much earlier than the oil heating temperature. The total PPAH emission ranged from 2258 to 6578 ng upon heating 40-85 g of edible oil. The overall intake fraction by an individual within a period of 10 min, including 3 min for heating and 7 min for natural cooling, was generally ∼1/10,000. An important outcome of this work was that the overall intake fraction could be represented by multiplying the range hood escape efficiency by the inhalation-to-ventilation rate ratio, which would be no greater than the same ratio. The methodology and results of this work were extendible for the number-based assessment of PPAHs. This work is expected to help us understand the health risks due to inhalation exposure to cooking-generated PPAHs in the kitchen.

Dynamic "Range of Motion" Hindlimb Stretching Disrupts Locomotor Function in Rats with Moderate Subacute Spinal Cord Injuries.

PubMed

Keller, Anastasia; Rees, Kathlene; Prince, Daniella; Morehouse, Johnny; Shum-Siu, Alice; Magnuson, David

2017-06-15

Joint contractures and spasticity are two common secondary complications of a severe spinal cord injury (SCI), which can significantly reduce quality of life, and stretching is one of the top strategies for rehabilitation of these complications. We have previously shown that a daily static stretching protocol administered to rats at either acute or chronic time points after a moderate or moderate-severe T10 SCI significantly disrupts their hindlimb locomotor function. The objective of the current study was to examine the effects of dynamic range of motion (ROM) stretching on the locomotor function of rats with SCI as an alternative to static stretching. Starting at 6 weeks post-injury (T10 moderate contusion) eight adult Sprague-Dawley rats were subjected to hindlimb stretching for 4 weeks. Our standard stretching protocol (six maneuvers to stretch the major hindlimb muscle groups) was modified from 1 min static stretch-and-hold at the end ROM of each stretch position to a dynamic 2 sec hold, 1 sec release rhythm repeated for a duration of 1 min. Four weeks of daily (5 days/week) dynamic stretching led to significant disruption of locomotor function as assessed by the Basso, Beattie, Bresnahan (BBB) Open Field Locomotor Scale and three-dimensional (3D) kinematic and gait analyses. In addition, we identified and analyzed an apparently novel hindlimb response to dynamic stretch that resembles human clonus. The results of the current study extend the observation of the stretching phenomenon to a new modality of stretching that is also commonly used in SCI rehabilitation. Although mechanisms and clinical relevance still need to be established, our findings continue to raise concerns that stretching as a therapy can potentially hinder aspects of locomotor recovery.

Dynamic “Range of Motion” Hindlimb Stretching Disrupts Locomotor Function in Rats with Moderate Subacute Spinal Cord Injuries

PubMed Central

Keller, Anastasia; Rees, Kathlene; Prince, Daniella; Morehouse, Johnny; Shum-Siu, Alice

2017-01-01

Abstract Joint contractures and spasticity are two common secondary complications of a severe spinal cord injury (SCI), which can significantly reduce quality of life, and stretching is one of the top strategies for rehabilitation of these complications. We have previously shown that a daily static stretching protocol administered to rats at either acute or chronic time points after a moderate or moderate-severe T10 SCI significantly disrupts their hindlimb locomotor function. The objective of the current study was to examine the effects of dynamic range of motion (ROM) stretching on the locomotor function of rats with SCI as an alternative to static stretching. Starting at 6 weeks post-injury (T10 moderate contusion) eight adult Sprague–Dawley rats were subjected to hindlimb stretching for 4 weeks. Our standard stretching protocol (six maneuvers to stretch the major hindlimb muscle groups) was modified from 1 min static stretch-and-hold at the end ROM of each stretch position to a dynamic 2 sec hold, 1 sec release rhythm repeated for a duration of 1 min. Four weeks of daily (5 days/week) dynamic stretching led to significant disruption of locomotor function as assessed by the Basso, Beattie, Bresnahan (BBB) Open Field Locomotor Scale and three-dimensional (3D) kinematic and gait analyses. In addition, we identified and analyzed an apparently novel hindlimb response to dynamic stretch that resembles human clonus. The results of the current study extend the observation of the stretching phenomenon to a new modality of stretching that is also commonly used in SCI rehabilitation. Although mechanisms and clinical relevance still need to be established, our findings continue to raise concerns that stretching as a therapy can potentially hinder aspects of locomotor recovery. PMID:28288544

Active colloids as mobile microelectrodes for unified label-free selective cargo transport.

PubMed

Boymelgreen, Alicia M; Balli, Tov; Miloh, Touvia; Yossifon, Gilad

2018-02-22

Utilization of active colloids to transport both biological and inorganic cargo has been widely examined in the context of applications ranging from targeted drug delivery to sample analysis. In general, carriers are customized to load one specific target via a mechanism distinct from that driving the transport. Here we unify these tasks and extend loading capabilities to include on-demand selection of multiple nano/micro-sized targets without the need for pre-labelling or surface functionalization. An externally applied electric field is singularly used to drive the active cargo carrier and transform it into a mobile floating electrode that can attract (trap) or repel specific targets from its surface by dielectrophoresis, enabling dynamic control of target selection, loading and rate of transport via the electric field parameters. In the future, dynamic selectivity could be combined with directed motion to develop building blocks for bottom-up fabrication in applications such as additive manufacturing and soft robotics.

A continuum model of transcriptional bursting

PubMed Central

Corrigan, Adam M; Tunnacliffe, Edward; Cannon, Danielle; Chubb, Jonathan R

2016-01-01

Transcription occurs in stochastic bursts. Early models based upon RNA hybridisation studies suggest bursting dynamics arise from alternating inactive and permissive states. Here we investigate bursting mechanism in live cells by quantitative imaging of actin gene transcription, combined with molecular genetics, stochastic simulation and probabilistic modelling. In contrast to early models, our data indicate a continuum of transcriptional states, with a slowly fluctuating initiation rate converting the gene between different levels of activity, interspersed with extended periods of inactivity. We place an upper limit of 40 s on the lifetime of fluctuations in elongation rate, with initiation rate variations persisting an order of magnitude longer. TATA mutations reduce the accessibility of high activity states, leaving the lifetime of on- and off-states unchanged. A continuum or spectrum of gene states potentially enables a wide dynamic range for cell responses to stimuli. DOI: http://dx.doi.org/10.7554/eLife.13051.001 PMID:26896676

Electro-optic sampling of near-infrared waveforms

NASA Astrophysics Data System (ADS)

Keiber, Sabine; Sederberg, Shawn; Schwarz, Alexander; Trubetskov, Michael; Pervak, Volodymyr; Krausz, Ferenc; Karpowicz, Nicholas

2016-03-01

Access to the complete electric field evolution of a laser pulse is essential for attosecond science in general, and for the scrutiny and control of electron phenomena in solid-state physics specifically. Time-resolved field measurements are routine in the terahertz spectral range, using electro-optic sampling (EOS), photoconductive switches and field-induced second harmonic generation. EOS in particular features outstanding sensitivity and ease of use, making it the basis of time-resolved spectroscopic measurements for studying charge carrier dynamics and active optical devices. In this Letter, we show that careful optical filtering allows the bandwidth of this technique to be extended to wavelengths as short as 1.2 μm (230 THz) with half-cycle durations 2.3 times shorter than the sampling pulse. In a proof-of-principle application, we measure the influence of optical parametric amplification (OPA) on the electric field dynamics of a few-cycle near-infrared (NIR) pulse.

Phase retrieval by coherent modulation imaging

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

Zhang, Fucai; Chen, Bo; Morrison, Graeme R.

Phase retrieval is a long-standing problem in imaging when only the intensity of the wavefield can be recorded. Coherent diffraction imaging (CDI) is a lensless technique that uses iterative algorithms to recover amplitude and phase contrast images from diffraction intensity data. For general samples, phase retrieval from a single diffraction pattern has been an algorithmic and experimental challenge. Here we report a method of phase retrieval that uses a known modulation of the sample exit-wave. This coherent modulation imaging (CMI) method removes inherent ambiguities of CDI and uses a reliable, rapidly converging iterative algorithm involving three planes. It works formore » extended samples, does not require tight support for convergence, and relaxes dynamic range requirements on the detector. CMI provides a robust method for imaging in materials and biological science, while its single-shot capability will benefit the investigation of dynamical processes with pulsed sources, such as X-ray free electron laser.« less

Phase retrieval by coherent modulation imaging

DOE PAGES

Zhang, Fucai; Chen, Bo; Morrison, Graeme R.; ...

2016-11-18

Phase retrieval is a long-standing problem in imaging when only the intensity of the wavefield can be recorded. Coherent diffraction imaging (CDI) is a lensless technique that uses iterative algorithms to recover amplitude and phase contrast images from diffraction intensity data. For general samples, phase retrieval from a single diffraction pattern has been an algorithmic and experimental challenge. Here we report a method of phase retrieval that uses a known modulation of the sample exit-wave. This coherent modulation imaging (CMI) method removes inherent ambiguities of CDI and uses a reliable, rapidly converging iterative algorithm involving three planes. It works formore » extended samples, does not require tight support for convergence, and relaxes dynamic range requirements on the detector. CMI provides a robust method for imaging in materials and biological science, while its single-shot capability will benefit the investigation of dynamical processes with pulsed sources, such as X-ray free electron laser.« less

Molecular Dynamical Simulation of Thermal Conductivity in Amorphous Structures

NASA Astrophysics Data System (ADS)

Deangelis, Freddy; Henry, Asegun

While current descriptions of thermal transport exists for well-ordered materials such as crystal latices, new methods are needed to describe thermal transport in disordered materials, including amorphous solids. Because such structures lack periodic, long-range order, a group velocity cannot be defined for thermal modes of vibration; thus, the phonon gas model cannot be applied to these structures. Instead, a new framework must be applied to analyze such materials. Using a combination of density functional theory and molecular dynamics, we have analyzed thermal transport in amorphous structures, chiefly amorphous germanium. The analysis allows us to categorize vibrational modes as propagons, diffusons, or locons, and to determine how they contribute to thermal conductivity within amorphous structures. This method is also being extended to other disordered structures such as amorphous polymers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1148903.

MMS Observations of Harmonic Electromagnetic Cyclotron Waves

NASA Astrophysics Data System (ADS)

Usanova, M.; Ahmadi, N.; Ergun, R.; Trattner, K. J.; Fuselier, S. A.; Torbert, R. B.; Mauk, B.; Le Contel, O.; Giles, B. L.; Russell, C. T.; Burch, J.; Strangeway, R. J.

2017-12-01

Harmonically related electromagnetic ion cyclotron waves with the fundamental frequency near the O+ cyclotron frequency were observed by the four MMS spacecraft on May 20, 2016. The wave activity was detected by the spacecraft on their inbound passage through the Earth's morning magnetosphere during generally quiet geomagnetic conditions but enhanced solar wind dynamic pressure. It was also associated with an enhancement of energetic H+ and O+ ions. The waves are seen in both magnetic and electric fields, formed by over ten higher order harmonics, most pronounced in the electric field. The wave activity lasted for about an hour with some wave packets giving rise to short-lived structures extending from Hz to kHz range. These observations are particularly interesting since they suggest cross-frequency coupling between the lower and higher frequency modes. Further work will focus on examining the nature and role of these waves in the energetic particle dynamics from a theoretical perspective.

Entraining IDyOT: Timing in the Information Dynamics of Thinking

PubMed Central

Forth, Jamie; Agres, Kat; Purver, Matthew; Wiggins, Geraint A.

2016-01-01

We present a novel hypothetical account of entrainment in music and language, in context of the Information Dynamics of Thinking model, IDyOT. The extended model affords an alternative view of entrainment, and its companion term, pulse, from earlier accounts. The model is based on hierarchical, statistical prediction, modeling expectations of both what an event will be and when it will happen. As such, it constitutes a kind of predictive coding, with a particular novel hypothetical implementation. Here, we focus on the model's mechanism for predicting when a perceptual event will happen, given an existing sequence of past events, which may be musical or linguistic. We propose a range of tests to validate or falsify the model, at various different levels of abstraction, and argue that computational modeling in general, and this model in particular, can offer a means of providing limited but useful evidence for evolutionary hypotheses. PMID:27803682

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE PAGES

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; ...

2016-09-09

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

The harmonic oscillator and nuclear physics

NASA Technical Reports Server (NTRS)

Rowe, D. J.

1993-01-01

The three-dimensional harmonic oscillator plays a central role in nuclear physics. It provides the underlying structure of the independent-particle shell model and gives rise to the dynamical group structures on which models of nuclear collective motion are based. It is shown that the three-dimensional harmonic oscillator features a rich variety of coherent states, including vibrations of the monopole, dipole, and quadrupole types, and rotations of the rigid flow, vortex flow, and irrotational flow types. Nuclear collective states exhibit all of these flows. It is also shown that the coherent state representations, which have their origins in applications to the dynamical groups of the simple harmonic oscillator, can be extended to vector coherent state representations with a much wider range of applicability. As a result, coherent state theory and vector coherent state theory become powerful tools in the application of algebraic methods in physics.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

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

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Brownian Dynamics simulations of model colloids in channel geometries and external fields

NASA Astrophysics Data System (ADS)

Siems, Ullrich; Nielaba, Peter

2018-04-01

We review the results of Brownian Dynamics simulations of colloidal particles in external fields confined in channels. Super-paramagnetic Brownian particles are well suited two- dimensional model systems for a variety of problems on different length scales, ranging from pedestrian walking through a bottleneck to ions passing ion-channels in living cells. In such systems confinement into channels can have a great influence on the diffusion and transport properties. Especially we will discuss the crossover from single file diffusion in a narrow channel to the diffusion in the extended two-dimensional system. Therefore a new algorithm for computing the mean square displacement (MSD) on logarithmic time scales is presented. In a different study interacting colloidal particles were dragged over a washboard potential and are additionally confined in a two-dimensional micro-channel. In this system kink and anti-kink solitons determine the depinning process of the particles from the periodic potential.

Development of DPD coarse-grained models: From bulk to interfacial properties

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

Solano Canchaya, José G.; Dequidt, Alain, E-mail: alain.dequidt@univ-bpclermont.fr; Goujon, Florent

2016-08-07

A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG andmore » atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.« less

Phase retrieval by coherent modulation imaging.

PubMed

Zhang, Fucai; Chen, Bo; Morrison, Graeme R; Vila-Comamala, Joan; Guizar-Sicairos, Manuel; Robinson, Ian K

2016-11-18

Phase retrieval is a long-standing problem in imaging when only the intensity of the wavefield can be recorded. Coherent diffraction imaging is a lensless technique that uses iterative algorithms to recover amplitude and phase contrast images from diffraction intensity data. For general samples, phase retrieval from a single-diffraction pattern has been an algorithmic and experimental challenge. Here we report a method of phase retrieval that uses a known modulation of the sample exit wave. This coherent modulation imaging method removes inherent ambiguities of coherent diffraction imaging and uses a reliable, rapidly converging iterative algorithm involving three planes. It works for extended samples, does not require tight support for convergence and relaxes dynamic range requirements on the detector. Coherent modulation imaging provides a robust method for imaging in materials and biological science, while its single-shot capability will benefit the investigation of dynamical processes with pulsed sources, such as X-ray free-electron lasers.

NOVEL TECHNIQUE OF POWER CONTROL IN MAGNETRON TRANSMITTERS FOR INTENSE ACCELERATORS

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

Kazakevich, G.; Johnson, R.; Neubauer, M.

A novel concept of a high-power magnetron transmitter allowing dynamic phase and power control at the frequency of locking signal is proposed. The transmitter compensating parasitic phase and amplitude modulations inherent in Superconducting RF (SRF) cavities within closed feedback loops is intended for powering of the intensity-frontier superconducting accelerators. The con- cept uses magnetrons driven by a sufficient resonant (in- jection-locking) signal and fed by the voltage which can be below the threshold of self-excitation. This provides an extended range of power control in a single magnetron at highest efficiency minimizing the cost of RF power unit and the operationmore » cost. Proof-of-principle of the proposed concept demonstrated in pulsed and CW regimes with 2.45 GHz, 1kW magnetrons is discussed here. A conceptual scheme of the high-power transmitter allowing the dynamic wide-band phase and y power controls is presented and discussed.« less

Spatial structure favors cooperative behavior in the snowdrift game with multiple interactive dynamics

NASA Astrophysics Data System (ADS)

Su, Qi; Li, Aming; Wang, Long

2017-02-01

Spatial reciprocity is generally regarded as a positive rule facilitating the evolution of cooperation. However, a few recent studies show that, in the snowdrift game, spatial structure still could be detrimental to cooperation. Here we propose a model of multiple interactive dynamics, where each individual can cooperate and defect simultaneously against different neighbors. We realize individuals' multiple interactions simply by endowing them with strategies relevant to probabilities, and every one decides to cooperate or defect with a probability. With multiple interactive dynamics, the cooperation level in square lattices is higher than that in the well-mixed case for a wide range of cost-to-benefit ratio r, implying that spatial structure favors cooperative behavior in the snowdrift game. Moreover, in square lattices, the most favorable strategy follows a simple relation of r, which confers theoretically the average evolutionary frequency of cooperative behavior. We further extend our study to various homogeneous and heterogeneous networks, which demonstrates the robustness of our results. Here multiple interactive dynamics stabilizes the positive role of spatial structure on the evolution of cooperation and individuals' distinct reactions to different neighbors can be a new line in understanding the emergence of cooperation.

Advances in the Dynallax solid-state dynamic parallax barrier autostereoscopic visualization display system.

PubMed

Peterka, Tom; Kooima, Robert L; Sandin, Daniel J; Johnson, Andrew; Leigh, Jason; DeFanti, Thomas A

2008-01-01

A solid-state dynamic parallax barrier autostereoscopic display mitigates some of the restrictions present in static barrier systems, such as fixed view-distance range, slow response to head movements, and fixed stereo operating mode. By dynamically varying barrier parameters in real time, viewers may move closer to the display and move faster laterally than with a static barrier system, and the display can switch between 3D and 2D modes by disabling the barrier on a per-pixel basis. Moreover, Dynallax can output four independent eye channels when two viewers are present, and both head-tracked viewers receive an independent pair of left-eye and right-eye perspective views based on their position in 3D space. The display device is constructed by using a dual-stacked LCD monitor where a dynamic barrier is rendered on the front display and a modulated virtual environment composed of two or four channels is rendered on the rear display. Dynallax was recently demonstrated in a small-scale head-tracked prototype system. This paper summarizes the concepts presented earlier, extends the discussion of various topics, and presents recent improvements to the system.

Dynamics of Hydration Water in Sugars and Peptides Solutions

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

Perticaroli, Stefania; Nakanishi, Masahiro; Pashkovski, Eugene

2013-01-01

We analyzed solute and solvent dynamics of sugars and peptides aqueous solutions using extended epolarized light scattering (EDLS) and broadband dielectric spectroscopies (BDS). Spectra measured with both techniques reveal the same mechanism of rotational diffusion of peptides molecules. In the case of sugars, this solute reorientational relaxation can be isolated by EDLS measurements, whereas its ontribution to the dielectric spectra is almost negligible. In the presented analysis, we characterize the hydration water in terms of hydration number and retardation ratio between relaxation times of hydration and bulk water. Both techniques provide similar estimates of . The retardation imposed on themore » hydration water by sugars is 3.3 1.3 and involves only water molecules hydrogen-bonded (HB) to solutes ( 3 water molecules per sugar OH-group). In contrast, polar peptides cause longer range erturbations beyond the first hydration shell, and between 2.8 and 8, increasing with the number of chemical groups engaged in HB formation. We demonstrate that chemical heterogeneity and specific HB interactions play a crucial role in hydration dynamics around polar solutes. The obtained results help to disentangle the role of excluded volume and enthalpic contributions in dynamics of hydration water at the interface with biological molecules.« less

Symmetry-Based Techniques for Qualitative Understanding of Rovibrational Effects in Spherical-Top Molecular Spectra and Dynamics

NASA Astrophysics Data System (ADS)

Mitchell, Justin Chadwick

2011-12-01

Using light to probe the structure of matter is as natural as opening our eyes. Modern physics and chemistry have turned this art into a rich science, measuring the delicate interactions possible at the molecular level. Perhaps the most commonly used tool in computational spectroscopy is that of matrix diagonalization. While this is invaluable for calculating everything from molecular structure and energy levels to dipole moments and dynamics, the process of numerical diagonalization is an opaque one. This work applies symmetry and semi-classical techniques to elucidate numerical spectral analysis for high-symmetry molecules. Semi-classical techniques, such as the Potential Energy Surfaces, have long been used to help understand molecular vibronic and rovibronic spectra and dynamics. This investigation focuses on newer semi-classical techniques that apply Rotational Energy Surfaces (RES) to rotational energy level clustering effects in high-symmetry molecules. Such clusters exist in rigid rotor molecules as well as deformable spherical tops. This study begins by using the simplicity of rigid symmetric top molecules to clarify the classical-quantum correspondence of RES semi-classical analysis and then extends it to a more precise and complete theory of modern high-resolution spectra. RES analysis is extended to molecules having more complex and higher rank tensorial rotational and rovibrational Hamiltonians than were possible to understand before. Such molecules are shown to produce an extraordinary range of rotational level clusters, corresponding to a panoply of symmetries ranging from C4v to C2 and C1 (no symmetry) with a corresponding range of new angular momentum localization and J-tunneling effects. Using RES topography analysis and the commutation duality relations between symmetry group operators in the lab-frame to those in the body-frame, it is shown how to better describe and catalog complex splittings found in rotational level clusters. Symmetry character analysis is generalized to give analytic eigensolutions. An appendix provides vibrational analogies. For the first time, interactions between molecular vibrations (polyads) are described semi-classically by multiple RES. This is done for the nu 3/2nu4 dyad of CF4. The nine-surface RES topology of the U(9)-dyad agrees with both computational and experimental work. A connection between this and a simpler U(2) example is detailed in an Appendix.

Characterizing Middle Atmospheric Dynamical Variability and its Impact on the Thermosphere/Ionosphere System During Recent Stratospheric Sudden Warmings

NASA Astrophysics Data System (ADS)

McCormack, J. P.; Sassi, F.; Hoppel, K.; Ma, J.; Eckermann, S. D.

2015-12-01

We investigate the evolution of neutral atmospheric dynamics in the 10-100 km altitude range before, during, and after recent stratospheric sudden warmings (SSWs) using a prototype high-altitude version of the Navy Global Environmental Model (NAVGEM), which combines a 4-dimensional variational (4DVAR) data assimilation system with a 3-time-level semi-Lagrangian semi-implicit global forecast model. In addition to assimilating conventional meteorological observations, NAVGEM also assimilates middle atmospheric temperature and constituent observations from both operational and research satellite platforms to provide global synoptic meteorological analyses of winds, temperatures, ozone, and water vapor from the surface to ~90 km. In this study, NAVGEM analyses are used to diagnose the spatial and temporal evolution of the main dynamical drivers in the mesosphere and lower thermosphere (MLT) before, during, and after specific SSW events during the 2009-2013 period when large disturbances were observed in the thermosphere/ionosphere (TI) region. Preliminary findings show strong modulation of the semidiurnal tide in the MLT during the onset of an SSW. To assess the impact of the neutral atmosphere dynamical variability on the TI system, NAVGEM analyses are used to constrain simulations of select SSW events using the specified dynamics (SD) configuration of the extended Whole Atmosphere Community Climate Model (WACCM-X).

Hyperbolic metamaterial nanostructures to tune charge-transfer dynamics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eun Sun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

2016-09-01

Charge transfer (CT) is an essential phenomenon relevant to numerous fields including biology, physics and chemistry.1-5 Here, we demonstrate that multi-layered hyperbolic metamaterial (HMM) substrates alter organic semiconductor CT dynamics.6 With triphenylene:perylene diimide dyad supramolecular self-assemblies prepared on HMM substrates, we show that both charge separation (CS) and charge recombination (CR) characteristic times are increased by factors of 2.5 and 1.6, respectively, resulting in longer-lived CT states. We successfully rationalize the experimental data by extending Marcus theory framework with dipole image interactions tuning the driving force. The number of metal-dielectric pairs alters the HMM interfacial effective dielectric constant and becomes a solid analogue to solvent polarizability. Based on the experimental results and extended Marcus theory framework, we find that CS and CR processes are located in normal and inverted regions on Marcus parabola diagram, respectively. The model and further PH3T:PCBM data show that the phenomenon is general and that molecular and substrate engineering offer a wide range of kinetic tailoring opportunities. This work opens the path toward novel artificial substrates designed to control CT dynamics with potential applications in fields including optoelectronics, organic solar cells and chemistry. 1. Marcus, Rev. Mod. Phys., 1993, 65, 599. 2. Marcus, Phys. Chem. Chem. Phys., 2012, 14, 13729. 3. Lambert, et al., Nat. Phys., 2012, 9, 10. 4. C. Clavero, Nat. Photon., 2014, 8, 95. 5. A. Canaguier-Durand, et al., Angew. Chem. Int. Ed., 2013, 52, 10533. 6. K. J. Lee, et al., Submitted, 2015, arxiv.org/abs/1510.08574.

Sub- and Quasi-Centurial Cycles in Solar and Geomagnetic Activity Data Series

NASA Astrophysics Data System (ADS)

Komitov, B.; Sello, S.; Duchlev, P.; Dechev, M.; Penev, K.; Koleva, K.

2016-07-01

The subject of this paper is the existence and stability of solar cycles with durations in the range of 20-250 years. Five types of data series are used: 1) the Zurich series (1749-2009 AD), the mean annual International sunspot number Ri, 2) the Group sunspot number series Rh (1610-1995 AD), 3) the simulated extended sunspot number from Extended time series of Solar Activity Indices (ESAI) (1090-2002 AD), 4) the simulated extended geomagnetic aa-index from ESAI (1099-2002 AD), 5) the Meudon filament series (1919-1991 AD). Two principally independent methods of time series analysis are used: the T-R periodogram analysis (both in standard and ``scanning window'' regimes) and the wavelet-analysis. The obtained results are very similar. A strong cycle with a mean duration of 55-60 years is found to exist in all series. On the other hand, a strong and stable quasi 110-120 years and ˜200-year cycles are obtained in all of these series except in the Ri one. The high importance of the long term solar activity dynamics for the aims of solar dynamo modeling and predictions is especially noted.

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

Tang, Zhoufei; Ouyang, Xiaolong; Gong, Zhihao

An extended hierarchy equation of motion (HEOM) is proposed and applied to study the dynamics of the spin-boson model. In this approach, a complete set of orthonormal functions are used to expand an arbitrary bath correlation function. As a result, a complete dynamic basis set is constructed by including the system reduced density matrix and auxiliary fields composed of these expansion functions, where the extended HEOM is derived for the time derivative of each element. The reliability of the extended HEOM is demonstrated by comparison with the stochastic Hamiltonian approach under room-temperature classical ohmic and sub-ohmic noises and the multilayermore » multiconfiguration time-dependent Hartree theory under zero-temperature quantum ohmic noise. Upon increasing the order in the hierarchical expansion, the result obtained from the extended HOEM systematically converges to the numerically exact answer.« less

Extended cooperative control synthesis

NASA Technical Reports Server (NTRS)

Davidson, John B.; Schmidt, David K.

1994-01-01

This paper reports on research for extending the Cooperative Control Synthesis methodology to include a more accurate modeling of the pilot's controller dynamics. Cooperative Control Synthesis (CCS) is a methodology that addresses the problem of how to design control laws for piloted, high-order, multivariate systems and/or non-conventional dynamic configurations in the absence of flying qualities specifications. This is accomplished by emphasizing the parallel structure inherent in any pilot-controlled, augmented vehicle. The original CCS methodology is extended to include the Modified Optimal Control Model (MOCM), which is based upon the optimal control model of the human operator developed by Kleinman, Baron, and Levison in 1970. This model provides a modeling of the pilot's compensation dynamics that is more accurate than the simplified pilot dynamic representation currently in the CCS methodology. Inclusion of the MOCM into the CCS also enables the modeling of pilot-observation perception thresholds and pilot-observation attention allocation affects. This Extended Cooperative Control Synthesis (ECCS) allows for the direct calculation of pilot and system open- and closed-loop transfer functions in pole/zero form and is readily implemented in current software capable of analysis and design for dynamic systems. Example results based upon synthesizing an augmentation control law for an acceleration command system in a compensatory tracking task using the ECCS are compared with a similar synthesis performed by using the original CCS methodology. The ECCS is shown to provide augmentation control laws that yield more favorable, predicted closed-loop flying qualities and tracking performance than those synthesized using the original CCS methodology.

Polynomial f (R ) Palatini cosmology: Dynamical system approach

NASA Astrophysics Data System (ADS)

Szydłowski, Marek; Stachowski, Aleksander

2018-05-01

We investigate cosmological dynamics based on f (R ) gravity in the Palatini formulation. In this study, we use the dynamical system methods. We show that the evolution of the Friedmann equation reduces to the form of the piecewise smooth dynamical system. This system is reduced to a 2D dynamical system of the Newtonian type. We demonstrate how the trajectories can be sewn to guarantee C0 extendibility of the metric similarly as "Milne-like" Friedmann-Lemaître-Robertson-Walker spacetimes are C0-extendible. We point out that importance of the dynamical system of the Newtonian type with nonsmooth right-hand sides in the context of Palatini cosmology. In this framework, we can investigate singularities which appear in the past and future of the cosmic evolution. We consider cosmological systems in both Einstein and Jordan frames. We show that at each frame the topological structures of phase space are different.

Lyapounov variable: Entropy and measurement in quantum mechanics

PubMed Central

Misra, B.; Prigogine, I.; Courbage, M.

1979-01-01

We discuss the question of the dynamical meaning of the second law of thermodynamics in the framework of quantum mechanics. Previous discussion of the problem in the framework of classical dynamics has shown that the second law can be given a dynamical meaning in terms of the existence of so-called Lyapounov variables—i.e., dynamical variables varying monotonically in time without becoming contradictory. It has been found that such variables can exist in an extended framework of classical dynamics, provided that the dynamical motion is suitably unstable. In this paper we begin to extend these results to quantum mechanics. It is found that no dynamical variable with the characteristic properties of nonequilibrium entropy can be defined in the standard formulation of quantum mechanics. However, if the Hamiltonian has certain well-defined spectral properties, such variables can be defined but only as a nonfactorizable superoperator. Necessary nonfactorizability of such entropy operators M has the consequence that they cannot preserve the class of pure states. Physically, this means that the distinguishability between pure states and corresponding mixtures must be lost in the case of a quantal system for which the algebra of observables can be extended to include a new dynamical variable representing nonequilibrium entropy. We discuss how this result leads to a solution of the quantum measurement problem. It is also found that the question of existence of entropy of superoperators M is closely linked to the problem of defining an operator of time in quantum mechanics. PMID:16578757

Stability Characteristics of Two Missiles of Fineness Ratios 12 and 18 with Six Rectangular Fins of Very Low Aspect Ratio Over a Mach Number Range of 1.4 to 3.2

NASA Technical Reports Server (NTRS)

Henning, Allen B.

1959-01-01

Two rocket-propelled missiles have been test flown by the Langley Pilotless Aircraft Research Division in order to study the stability characteristics of a body with six rectangular fins of very low aspect ratio. The fins, which had exposed aspect ratios of approximately o.o4 and 0.02 per fin, were mounted on bodies of fineness ratios of 12 and 18, respectively. Each body had a nose with a fineness ratio of 3.5 and a cylindrical afterbody. The body and the fin chord of the model having a fineness ratio of 12 were extended the length of 6 body diameters to produce the model with a fineness ratio of 18. The missiles were disturbed in flight by pulse rockets in order to obtain the stability data. The tests were performed over a Mach number range of 1.4 to 3.2 and a Reynolds number range of 2 x 10(exp 6) to 21 x l0(exp 6). The results of these tests indicate that these configurations with the long rectangular fins of very low aspect ratio showed little induced roll" with the missile of highest fineness ratio and longest fin chord exhibiting the least amount. Extending the body and fin chord of the shorter missile six body diameters and thereby increasing the fin area approximately 115 percent increased the lift-curve slope based on body cross-sectional area approximately 40 to 55 percent, increased the dynamic stability by a substantial amount, and increased the drag from 14 to 33 percent throughout the comparable Mach number range. The center-of-pressure location of both missiles remained constant over the Mach number range.

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

NASA Technical Reports Server (NTRS)

Harik, V. M.

2001-01-01

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

NASA Astrophysics Data System (ADS)

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M. N.; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-01

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.

PubMed

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M N; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes-in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

DOE PAGES

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; ...

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

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

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

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

White, Alexander J.; Center for Nonlinear Studies; Gorshkov, Vyacheslav N.

2014-11-14

Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantummore » mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.« less

Hydrodynamic damping and stiffness prediction in Francis turbine runners using CFD

NASA Astrophysics Data System (ADS)

Nennemann, Bernd; Monette, Christine; Chamberland-Lauzon, Joël

2016-11-01

Fluid-structure interaction (FSI) has a major impact on the dynamic response of the structural components of hydroelectric turbines. On mid- to high-head Francis runners, the rotor-stator interaction (RSI) phenomenon has to be considered carefully during the design phase to avoid operational issues on the prototype machine. The RSI dynamic response amplitudes of the runner are driven by three main factors: (1) pressure forcing amplitudes, (2) excitation frequencies in relation to natural frequencies and (3) damping. All three of the above factors are significantly influenced by both mechanical and hydraulic parameters. The prediction of the first two factors has been largely documented in the literature. However, the prediction of hydro-dynamic damping has only recently and only partially been treated. Two mode-based approaches (modal work and coupled single degree of freedom) for the prediction of flow-added dynamic parameters using separate finite element analyses (FEA) in still water and unsteady computational fluid dynamic (CFD) analyses are presented. The modal motion is connected to the time resolved CFD calculation by means of dynamic mesh deformation. This approach has partially been presented in a previous paper applied to a simplified hydrofoil. The present work extends the approach to Francis runners under RSI loading. In particular the travelling wave mode shapes of turbine runners are considered. Reasonable agreement with experimental results is obtained in parts of the operating range.

Glasslike dynamical behavior of the plastocyanin hydration water

NASA Astrophysics Data System (ADS)

Bizzarri, Anna Rita; Paciaroni, Alessandro; Cannistraro, Salvatore

2000-09-01

The dynamical behavior of water around plastocyanin has been investigated in a wide temperature range by molecular dynamics simulation. The mean square displacements of water oxygen atoms show, at long times, a tα trend for all temperatures. Below 150 K, α is constant and equal to 1; at higher temperatures it drops to a value significantly smaller than 1, and thereafter decreases with increasing temperature. The occurrence of such an anomalous diffusion matches the onset of the dynamical transition observed in the protein. The intermediate scattering function of water is characterized, at high temperature, by a stretched exponential decay evolving, at low temperature, toward a two step relaxation behavior, which becomes more evident on increasing the exchanged wave vector q. Both the mean square displacements and the intermediate scattering functions show, beyond the ballistic regime, a plateau, which progressively extends for longer times as long as the temperature is lowered, such behavior reflecting trapping of water molecules within a cage formed by the nearest neighbors. At low temperature, a low frequency broad inelastic peak is observed in the dynamical structure factor of hydration water; such an excess of vibrational modes being reminiscent of the boson peak, characteristic of disordered, amorphous systems. All these features, which are typical of complex systems, can be traced back to the glassy character of the hydration water and suggest a dynamical coupling occurring at the macromolecule-solvent interface.

PLEIADES: High Peak Brightness, Subpicosecond Thomson Hard-X-ray source

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

Kuba, J; Anderson, S G; Barty, C J

2003-12-15

The Picosecond Laser-Electron Inter-Action for the Dynamic Evaluation of Structures (PLEIADES) facility, is a unique, novel, tunable (10-200 keV), ultrafast (ps-fs), hard x-ray source that greatly extends the parameter range reached by existing 3rd generation sources, both in terms of x-ray energy range, pulse duration, and peak brightness at high energies. First light was observed at 70 keV early in 2003, and the experimental data agrees with 3D codes developed at LLNL. The x-rays are generated by the interaction of a 50 fs Fourier-transform-limited laser pulse produced by the TW-class FALCON CPA laser and a highly focused, relativistic (20-100 MeV),more » high brightness (1 nC, 0.3-5 ps, 5 mm.mrad, 0.2% energy spread) photo-electron bunch. The resulting x-ray brightness is expected to exceed 10{sup 20} ph/mm{sup 2}/s/mrad{sup 2}/0.1% BW. The beam is well-collimated (10 mrad divergence over the full spectrum, 1 mrad for a single color), and the source is a unique tool for time-resolved dynamic measurements in matter, including high-Z materials.« less

Dynamical scales for multi-TeV top-pair production at the LHC

NASA Astrophysics Data System (ADS)

Czakon, Michał; Heymes, David; Mitov, Alexander

2017-04-01

We calculate all major differential distributions with stable top-quarks at the LHC. The calculation covers the multi-TeV range that will be explored during LHC Run II and beyond. Our results are in the form of high-quality binned distributions. We offer predictions based on three different parton distribution function (pdf) sets. In the near future we will make our results available also in the more flexible fastNLO format that allows fast re-computation with any other pdf set. In order to be able to extend our calculation into the multi-TeV range we have had to derive a set of dynamic scales. Such scales are selected based on the principle of fastest perturbative convergence applied to the differential and inclusive cross-section. Many observations from our study are likely to be applicable and useful to other precision processes at the LHC. With scale uncertainty now under good control, pdfs arise as the leading source of uncertainty for TeV top production. Based on our findings, true precision in the boosted regime will likely only be possible after new and improved pdf sets appear. We expect that LHC top-quark data will play an important role in this process.

Quantitative performance characterization of three-dimensional noncontact fluorescence molecular tomography

NASA Astrophysics Data System (ADS)

Favicchio, Rosy; Psycharakis, Stylianos; Schönig, Kai; Bartsch, Dusan; Mamalaki, Clio; Papamatheakis, Joseph; Ripoll, Jorge; Zacharakis, Giannis

2016-02-01

Fluorescent proteins and dyes are routine tools for biological research to describe the behavior of genes, proteins, and cells, as well as more complex physiological dynamics such as vessel permeability and pharmacokinetics. The use of these probes in whole body in vivo imaging would allow extending the range and scope of current biomedical applications and would be of great interest. In order to comply with a wide variety of application demands, in vivo imaging platform requirements span from wide spectral coverage to precise quantification capabilities. Fluorescence molecular tomography (FMT) detects and reconstructs in three dimensions the distribution of a fluorophore in vivo. Noncontact FMT allows fast scanning of an excitation source and noninvasive measurement of emitted fluorescent light using a virtual array detector operating in free space. Here, a rigorous process is defined that fully characterizes the performance of a custom-built horizontal noncontact FMT setup. Dynamic range, sensitivity, and quantitative accuracy across the visible spectrum were evaluated using fluorophores with emissions between 520 and 660 nm. These results demonstrate that high-performance quantitative three-dimensional visible light FMT allowed the detection of challenging mesenteric lymph nodes in vivo and the comparison of spectrally distinct fluorescent reporters in cell culture.

Extending the dynamic range of transcription factor action by translational regulation

NASA Astrophysics Data System (ADS)

Sokolowski, Thomas R.; Walczak, Aleksandra M.; Bialek, William; Tkačik, Gašper

2016-02-01

A crucial step in the regulation of gene expression is binding of transcription factor (TF) proteins to regulatory sites along the DNA. But transcription factors act at nanomolar concentrations, and noise due to random arrival of these molecules at their binding sites can severely limit the precision of regulation. Recent work on the optimization of information flow through regulatory networks indicates that the lower end of the dynamic range of concentrations is simply inaccessible, overwhelmed by the impact of this noise. Motivated by the behavior of homeodomain proteins, such as the maternal morphogen Bicoid in the fruit fly embryo, we suggest a scheme in which transcription factors also act as indirect translational regulators, binding to the mRNA of other regulatory proteins. Intuitively, each mRNA molecule acts as an independent sensor of the input concentration, and averaging over these multiple sensors reduces the noise. We analyze information flow through this scheme and identify conditions under which it outperforms direct transcriptional regulation. Our results suggest that the dual role of homeodomain proteins is not just a historical accident, but a solution to a crucial physics problem in the regulation of gene expression.

Vertical-axis wind turbine experiments at full dynamic similarity

NASA Astrophysics Data System (ADS)

Duvvuri, Subrahmanyam; Miller, Mark; Brownstein, Ian; Dabiri, John; Hultmark, Marcus

2017-11-01

This study presents results from pressurized (upto 200 atm) wind tunnel tests of a self-spinning 5-blade model Vertical-Axis Wind Turbine (VAWT). The model is geometrically similar (scale ratio 1:22) to a commercially available VAWT, which has a rotor diameter of 2.17 meters and blade span of 3.66 meters, and is used at the Stanford university field lab. The use of pressurized air as working fluid allows for the unique ability to obtain full dynamic similarity with field conditions in terms of matched Reynolds numbers (Re), tip-speed ratios (λ), and Mach number (M). Tests were performed across a wide range of Re and λ, with the highest Re exceeding the maximum operational field Reynolds number (Remax) by a factor of 3. With an extended range of accessible Re conditions, the peak turbine power efficiency was seen to occur roughly at Re = 2 Remax and λ = 1 . Beyond Re > 2 Remax the turbine performance is invariant in Re for all λ. A clear demonstration of Reynolds number invariance for an actual full-scale wind turbine lends novelty to this study, and overall the results show the viability of the present experimental technique in testing turbines at field conditions.

Expected load spectra of prototype Francis turbines in low-load operation using numerical simulations and site measurements

NASA Astrophysics Data System (ADS)

Eichhorn, M.; Taruffi, A.; Bauer, C.

2017-04-01

The operators of hydropower plants are forced to extend the existing operating ranges of their hydraulic machines to remain competitive on the energy market due to the rising amount of wind and solar power. Faster response times and a higher flexibility towards part- and low-load conditions enable a better electric grid control and assure therefore an economic operation of the power plant. The occurring disadvantage is a higher dynamic excitation of affected machine components, especially Francis turbine runners, due to pressure pulsations induced by unsteady flow phenomena (e.g. draft tube vortex ropes). Therefore, fatigue analysis becomes more important even in the design phase of the hydraulic machines to evaluate the static and dynamic load in different operating conditions and to reduce maintenance costs. An approach including a one-way coupled fluid-structure interaction has been already developed using unsteady CFD simulations and transient FEM computations. This is now applied on two Francis turbines with different specific speeds and power ranges, to obtain the load spectra of both machines. The results are compared to strain gauge measurements on the according Francis turbines to validate the overall procedure.

Increasing Linear Dynamic Range of a CMOS Image Sensor

NASA Technical Reports Server (NTRS)

Pain, Bedabrata

2007-01-01

A generic design and a corresponding operating sequence have been developed for increasing the linear-response dynamic range of a complementary metal oxide/semiconductor (CMOS) image sensor. The design provides for linear calibrated dual-gain pixels that operate at high gain at a low signal level and at low gain at a signal level above a preset threshold. Unlike most prior designs for increasing dynamic range of an image sensor, this design does not entail any increase in noise (including fixed-pattern noise), decrease in responsivity or linearity, or degradation of photometric calibration. The figure is a simplified schematic diagram showing the circuit of one pixel and pertinent parts of its column readout circuitry. The conventional part of the pixel circuit includes a photodiode having a small capacitance, CD. The unconventional part includes an additional larger capacitance, CL, that can be connected to the photodiode via a transfer gate controlled in part by a latch. In the high-gain mode, the signal labeled TSR in the figure is held low through the latch, which also helps to adapt the gain on a pixel-by-pixel basis. Light must be coupled to the pixel through a microlens or by back illumination in order to obtain a high effective fill factor; this is necessary to ensure high quantum efficiency, a loss of which would minimize the efficacy of the dynamic- range-enhancement scheme. Once the level of illumination of the pixel exceeds the threshold, TSR is turned on, causing the transfer gate to conduct, thereby adding CL to the pixel capacitance. The added capacitance reduces the conversion gain, and increases the pixel electron-handling capacity, thereby providing an extension of the dynamic range. By use of an array of comparators also at the bottom of the column, photocharge voltages on sampling capacitors in each column are compared with a reference voltage to determine whether it is necessary to switch from the high-gain to the low-gain mode. Depending upon the built-in offset in each pixel and in each comparator, the point at which the gain change occurs will be different, adding gain-dependent fixed pattern noise in each pixel. The offset, and hence the fixed pattern noise, is eliminated by sampling the pixel readout charge four times by use of four capacitors (instead of two such capacitors as in conventional design) connected to the bottom of the column via electronic switches SHS1, SHR1, SHS2, and SHR2, respectively, corresponding to high and low values of the signals TSR and RST. The samples are combined in an appropriate fashion to cancel offset-induced errors, and provide spurious-free imaging with extended dynamic range.

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

Farrell, John T; Kelly, Kenneth J; Duran, Adam W

Range-extended electric vehicle (EV) technology can be a viable option for reducing fuel consumption from medium-duty (MD) and heavy-duty (HD) engines by approximately 50 percent or more. Such engines have wide variations in use and duty cycles, however, and identifying the vocations/duty cycles most suitable for range-extended applications is vital for maximizing the potential benefits. This presentation provides information about NREL's research on range-extended EV technologies, with a focus on NREL's real-world data collection and analysis approach to identifying the vocations/duty cycles best suited for range-extender applications and to help guide related powertrain optimization and design requirements. The presentation alsomore » details NREL's drive cycle development process as it pertains to package delivery applications.« less

Robust dynamic inversion controller design and analysis (using the X-38 vehicle as a case study)

NASA Astrophysics Data System (ADS)

Ito, Daigoro

A new way to approach robust Dynamic Inversion controller synthesis is addressed in this paper. A Linear Quadratic Gaussian outer-loop controller improves the robustness of a Dynamic Inversion inner-loop controller in the presence of uncertainties. Desired dynamics are given by the dynamic compensator, which shapes the loop. The selected dynamics are based on both performance and stability robustness requirements. These requirements are straightforwardly formulated as frequency-dependent singular value bounds during synthesis of the controller. Performance and robustness of the designed controller is tested using a worst case time domain quadratic index, which is a simple but effective way to measure robustness due to parameter variation. Using this approach, a lateral-directional controller for the X-38 vehicle is designed and its robustness to parameter variations and disturbances is analyzed. It is found that if full state measurements are available, the performance of the designed lateral-directional control system, measured by the chosen cost function, improves by approximately a factor of four. Also, it is found that the designed system is stable up to a parametric variation of 1.65 standard deviation with the set of uncertainty considered. The system robustness is determined to be highly sensitive to the dihedral derivative and the roll damping coefficients. The controller analysis is extended to the nonlinear system where both control input displacements and rates are bounded. In this case, the considered nonlinear system is stable up to 48.1° in bank angle and 1.59° in sideslip angle variations, indicating it is more sensitive to variations in sideslip angle than in bank angle. This nonlinear approach is further extended for the actuator failure mode analysis. The results suggest that the designed system maintains a high level of stability in the event of aileron failure. However, only 35% or less of the original stability range is maintained for the rudder failure case. Overall, this combination of controller synthesis and robustness criteria compares well with the mu-synthesis technique. It also is readily accessible to the practicing engineer, in terms of understanding and use.

Post-Correlation Semi-Coherent Integration for High-Dynamic and Weak GPS Signal Acquisition (Preprint)

DTIC Science & Technology

2008-06-01

provide the coverage. To enable weak GPS signal acquisition , one known technique at the receiver end is to extend the signal integration time...Han, “Block Accumulating Coherent Integration Over Extended Interval (BACIX) for Weak GPS Signal Acquisition ,” Proc. of ION-GNSS’06, Ft. Worth, TX...AFRL-RY-WP-TP-2008-1158 POST-CORRELATION SEMI-COHERENT INTEGRATION FOR HIGH-DYNAMIC AND WEAK GPS SIGNAL ACQUISITION (PREPRINT) Chun Yang

Extending Bell's beables to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories

NASA Astrophysics Data System (ADS)

Lorenzen, F.; de Ponte, M. A.; Moussa, M. H. Y.

2009-09-01

In this paper, employing the Itô stochastic Schrödinger equation, we extend Bell’s beable interpretation of quantum mechanics to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories. For a particular choice of the source of stochasticity, the one leading to a dissipative Lindblad-type correction to the Hamiltonian dynamics, we find that the diffusive terms in Nelsons stochastic trajectories are naturally incorporated into Bohm’s causal dynamics, yielding a unified Bohm-Nelson theory. In particular, by analyzing the interference between quantum trajectories, we clearly identify the decoherence time, as estimated from the quantum formalism. We also observe the quantum-to-classical transition in the convergence of the infinite ensemble of quantum trajectories to their classical counterparts. Finally, we show that our extended beables circumvent the problems in Bohm’s causal dynamics regarding stationary states in quantum mechanics.

Extended space expectation values in quantum dynamical system evolutions

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

Demiralp, Metin

2014-10-06

The time variant power series expansion for the expectation value of a given quantum dynamical operator is well-known and well-investigated issue in quantum dynamics. However, depending on the operator and Hamiltonian singularities this expansion either may not exist or may not converge for all time instances except the beginning of the evolution. This work focuses on this issue and seeks certain cures for the negativities. We work in the extended space obtained by adding all images of the initial wave function under the system Hamiltonian’s positive integer powers. This requires the introduction of certain appropriately defined weight operators. The resultingmore » better convergence in the temporal power series urges us to call the new defined entities “extended space expectation values” even though they are constructed over certain weight operators and are somehow pseudo expectation values.« less

System and method for reducing combustion dynamics and NO.sub.x in a combustor

DOEpatents

Uhm, Jong H.; Johnson, Thomas Edward

2015-11-20

A system for reducing combustion dynamics and NO.sub.x in a combustor includes a tube bundle that extends radially across at least a portion of the combustor, wherein the tube bundle comprises an upstream surface axially separated from a downstream surface. A shroud circumferentially surrounds the upstream and downstream surfaces. A plurality of tubes extends through the tube bundle from the upstream surface through the downstream surface, wherein the downstream surface is stepped to produce tubes having different lengths through the tube bundle. A method for reducing combustion dynamics and NO.sub.x in a combustor includes flowing a working fluid through a plurality of tubes radially arranged between an upstream surface and a downstream surface of an end cap that extends radially across at least a portion of the combustor, wherein the downstream surface is stepped.

Two-photon imaging of spatially extended neuronal network dynamics with high temporal resolution.

PubMed

Lillis, Kyle P; Eng, Alfred; White, John A; Mertz, Jerome

2008-07-30

We describe a simple two-photon fluorescence imaging strategy, called targeted path scanning (TPS), to monitor the dynamics of spatially extended neuronal networks with high spatiotemporal resolution. Our strategy combines the advantages of mirror-based scanning, minimized dead time, ease of implementation, and compatibility with high-resolution low-magnification objectives. To demonstrate the performance of TPS, we monitor the calcium dynamics distributed across an entire juvenile rat hippocampus (>1.5mm), at scan rates of 100 Hz, with single cell resolution and single action potential sensitivity. Our strategy for fast, efficient two-photon microscopy over spatially extended regions provides a particularly attractive solution for monitoring neuronal population activity in thick tissue, without sacrificing the signal-to-noise ratio or high spatial resolution associated with standard two-photon microscopy. Finally, we provide the code to make our technique generally available.

A novel method to study single-particle dynamics by the resistive pulse technique

NASA Astrophysics Data System (ADS)

Berge, L. I.; Feder, J.; Jøssang, T.

1989-08-01

We have developed a new method, a pressure-reversal technique, which extends the uses of the resistive pulse (Coulter counter) technique to single-particle dynamics. The resistive pulse technique measures the increase in resistance when particles suspended in an electrolyte are transported through a current-carrying aperture. By the new method, the pressure is reversed when a particle exits the pore. A trigger signal, derived from the particle pulses, is used to activate two miniature solenoid valves which serve as pressure switches. In this way, the particle reenters the pore. A single particle flowing back and forth may be studied over a long period of time. The time the particle spends outside the pore between reversals is variable from a few milliseconds to several seconds. We have so far used pore diameters in the range of 3-30 μm. The new technique enables us to study single-particle dissolution and single-particle flow dynamics. The experimental arrangement and the details of the new method are described together with some illustrative measurements.

Quantum correlation dynamics in photosynthetic processes assisted by molecular vibrations

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

Giorgi, G.L., E-mail: g.giorgi@inrim.it; Roncaglia, M.; Raffa, F.A.

2015-10-15

During the long course of evolution, nature has learnt how to exploit quantum effects. In fact, recent experiments reveal the existence of quantum processes whose coherence extends over unexpectedly long time and space ranges. In particular, photosynthetic processes in light-harvesting complexes display a typical oscillatory dynamics ascribed to quantum coherence. Here, we consider the simple model where a dimer made of two chromophores is strongly coupled with a quasi-resonant vibrational mode. We observe the occurrence of wide oscillations of genuine quantum correlations, between electronic excitations and the environment, represented by vibrational bosonic modes. Such a quantum dynamics has been unveiledmore » through the calculation of the negativity of entanglement and the discord, indicators widely used in quantum information for quantifying the resources needed to realize quantum technologies. We also discuss the possibility of approximating additional weakly-coupled off-resonant vibrational modes, simulating the disturbances induced by the rest of the environment, by a single vibrational mode. Within this approximation, one can show that the off-resonant bath behaves like a classical source of noise.« less

Analytical approximations to the dynamics of an array of coupled DC SQUIDs

NASA Astrophysics Data System (ADS)

Berggren, Susan; Palacios, Antonio

2014-04-01

Coupled dynamical systems that operate near the onset of a bifurcation can lead, under certain conditions, to strong signal amplification effects. Over the past years we have studied this generic feature on a wide range of systems, including: magnetic and electric fields sensors, gyroscopic devices, and arrays of loops of superconducting quantum interference devices, also known as SQUIDs. In this work, we consider an array of SQUID loops connected in series as a case study to derive asymptotic analytical approximations to the exact solutions through perturbation analysis. Two approaches are considered. First, a straightforward expansion in which the non-linear parameter related to the inductance of the DC SQUID is treated as the small perturbation parameter. Second, a more accurate procedure that considers the SQUID phase dynamics as non-uniform motion on a circle. This second procedure is readily extended to the series array and it could serve as a mathematical framework to find approximate solutions to related complex systems with high-dimensionality. To the best of our knowledge, an approximate analytical solutions to an array of SQUIDs has not been reported yet in the literature.

Zirconium-based alloys, nuclear fuel rods and nuclear reactors including such alloys, and related methods

DOEpatents

Mariani, Robert Dominick

2014-09-09

Zirconium-based metal alloy compositions comprise zirconium, a first additive in which the permeability of hydrogen decreases with increasing temperatures at least over a temperature range extending from 350.degree. C. to 750.degree. C., and a second additive having a solubility in zirconium over the temperature range extending from 350.degree. C. to 750.degree. C. At least one of a solubility of the first additive in the second additive over the temperature range extending from 350.degree. C. to 750.degree. C. and a solubility of the second additive in the first additive over the temperature range extending from 350.degree. C. to 750.degree. C. is higher than the solubility of the second additive in zirconium over the temperature range extending from 350.degree. C. to 750.degree. C. Nuclear fuel rods include a cladding material comprising such metal alloy compositions, and nuclear reactors include such fuel rods. Methods are used to fabricate such zirconium-based metal alloy compositions.

Hybrid wavefront sensor for the fast detection of wavefront disturbances.

PubMed

Dong, Shihao; Haist, Tobias; Osten, Wolfgang

2012-09-01

Strongly aberrated wavefronts lead to inaccuracies and nonlinearities in holography-based modal wavefront sensing (HMWS). In this contribution, a low-resolution Shack-Hartmann sensor (LRSHS) is incorporated into HMWS via a compact holographic design to extend the dynamic range of HMWS. A static binary-phase computer-generated hologram is employed to generate the desired patterns for Shack-Hartmann sensing and HMWS. The low-order aberration modes dominating the wavefront error are first sensed with the LRSHS and corrected by the wavefront modulator. The system then switches to HMWS to obtain better sensor sensitivity and accuracy. Simulated as well as experimental results are shown for validating the proposed method.

Higher order temporal finite element methods through mixed formalisms.

PubMed

Kim, Jinkyu

2014-01-01

The extended framework of Hamilton's principle and the mixed convolved action principle provide new rigorous weak variational formalism for a broad range of initial boundary value problems in mathematical physics and mechanics. In this paper, their potential when adopting temporally higher order approximations is investigated. The classical single-degree-of-freedom dynamical systems are primarily considered to validate and to investigate the performance of the numerical algorithms developed from both formulations. For the undamped system, all the algorithms are symplectic and unconditionally stable with respect to the time step. For the damped system, they are shown to be accurate with good convergence characteristics.

Decoherence and spin echo in biological systems.

PubMed

Nesterov, Alexander I; Berman, Gennady P

2015-05-01

The spin-echo approach is extended to include biocomplexes for which the interaction with dynamical noise, produced by the protein environment, is strong. Significant restoration of the free induction decay signal due to homogeneous (decoherence) and inhomogeneous (dephasing) broadening is demonstrated analytically and numerically for both an individual dimer of interacting chlorophylls and for an ensemble of dimers. Our approach does not require the use of small interaction constants between the electron states and the protein fluctuations. It is based on an exact and closed system of ordinary differential equations that can be easily solved for a wide range of parameters that are relevant for bioapplications.

C*-algebras associated with reversible extensions of logistic maps

NASA Astrophysics Data System (ADS)

Kwaśniewski, Bartosz K.

2012-10-01

The construction of reversible extensions of dynamical systems presented in a previous paper by the author and A.V. Lebedev is enhanced, so that it applies to arbitrary mappings (not necessarily with open range). It is based on calculating the maximal ideal space of C*-algebras that extends endomorphisms to partial automorphisms via partial isometric representations, and involves a new set of 'parameters' (the role of parameters is played by chosen sets or ideals). As model examples, we give a thorough description of reversible extensions of logistic maps and a classification of systems associated with compression of unitaries generating homeomorphisms of the circle. Bibliography: 34 titles.

Conductivity of molten sodium chloride in an arbitrarily weak dc electric field.

PubMed

Delhommelle, Jerome; Cummings, Peter T; Petravic, Janka

2005-09-15

We use nonequilibrium molecular-dynamics (NEMD) simulations to characterize the response of a fluid subjected to an electric field. We focus on the response for very weak fields. Fields accessible by conventional NEMD methods are typically of the order of 10(9) V m(-1), i.e., several orders of magnitude larger than those typically used in experiments. Using the transient time-correlation function, we show how NEMD simulations can be extended to study systems subjected to a realistic dc electric field. We then apply this approach to study the response of molten sodium chloride for a wide range of dc electric fields.

Observation of coherently enhanced tunable narrow-band terahertz transition radiation from a relativistic sub-picosecond electron bunch train

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

Piot, P.; Maxwell, T. J.; Accelerator Physics Center, Fermi National Accelerator Laboratory, Batavia, Illinois 60510

2011-06-27

We experimentally demonstrate the production of narrow-band ({delta}f/f{approx_equal}20% at f{approx_equal}0.5THz) transition radiation with tunable frequency over [0.37, 0.86] THz. The radiation is produced as a train of sub-picosecond relativistic electron bunches transits at the vacuum-aluminum interface of an aluminum converter screen. The bunch train is generated via a transverse-to-longitudinal phase space exchange technique. We also show a possible application of modulated beams to extend the dynamical range of a popular bunch length diagnostic technique based on the spectral analysis of coherent radiation.

Renormalization group analysis of turbulence

NASA Technical Reports Server (NTRS)

Smith, Leslie M.

1989-01-01

The objective is to understand and extend a recent theory of turbulence based on dynamic renormalization group (RNG) techniques. The application of RNG methods to hydrodynamic turbulence was explored most extensively by Yakhot and Orszag (1986). An eddy viscosity was calculated which was consistent with the Kolmogorov inertial range by systematic elimination of the small scales in the flow. Further, assumed smallness of the nonlinear terms in the redefined equations for the large scales results in predictions for important flow constants such as the Kolmogorov constant. It is emphasized that no adjustable parameters are needed. The parameterization of the small scales in a self-consistent manner has important implications for sub-grid modeling.

Decoherence and spin echo in biological systems

NASA Astrophysics Data System (ADS)

Nesterov, Alexander I.; Berman, Gennady P.

2015-05-01

The spin-echo approach is extended to include biocomplexes for which the interaction with dynamical noise, produced by the protein environment, is strong. Significant restoration of the free induction decay signal due to homogeneous (decoherence) and inhomogeneous (dephasing) broadening is demonstrated analytically and numerically for both an individual dimer of interacting chlorophylls and for an ensemble of dimers. Our approach does not require the use of small interaction constants between the electron states and the protein fluctuations. It is based on an exact and closed system of ordinary differential equations that can be easily solved for a wide range of parameters that are relevant for bioapplications.

Water walking - an evolution of water surface skipping

NASA Astrophysics Data System (ADS)

Hurd, Randy; Belden, Jesse; Jandron, Michael; Bower, Allan; Holekamp, Sean; Truscott, Tadd

2017-11-01

Previous work has shown that elastomeric spheres skip more easily than disk-shaped stones. This is due to increased lift stemming from sphere deformation, which provides an increased cross-sectional area and favorable attack angle upon impact. We extend lift models developed for individual impacts to long-range multiple impact events and compare the estimates to experimental results, which show good agreement. Additionally, a surprising new mode of skipping is observed that resembles water-walking, wherein a quickly rotating sphere produces small successive impacts allowing it to move parallel to the water surface. The dynamics of this new multiple skip behavior are rationalized analytically and tested experimentally.

Performance and driveline analyses of engine capacity in range extender engine hybrid vehicle

NASA Astrophysics Data System (ADS)

Praptijanto, Achmad; Santoso, Widodo Budi; Nur, Arifin; Wahono, Bambang; Putrasari, Yanuandri

2017-01-01

In this study, range extender engine designed should be able to meet the power needs of a power generator of hybrid electrical vehicle that has a minimum of 18 kW. Using this baseline model, the following range extenders will be compared between conventional SI piston engine (Baseline, BsL), engine capacity 1998 cm3, and efficiency-oriented SI piston with engine capacity 999 cm3 and 499 cm3 with 86 mm bore and stroke square gasoline engine in the performance, emission prediction of range extender engine, standard of charge by using engine and vehicle simulation software tools. In AVL Boost simulation software, range extender engine simulated from 1000 to 6000 rpm engine loads. The highest peak engine power brake reached up to 38 kW at 4500 rpm. On the other hand the highest torque achieved in 100 Nm at 3500 rpm. After that using AVL cruise simulation software, the model of range extended electric vehicle in series configuration with main components such as internal combustion engine, generator, electric motor, battery and the arthemis model rural road cycle was used to simulate the vehicle model. The simulation results show that engine with engine capacity 999 cm3 reported the economical performances of the engine and the emission and the control of engine cycle parameters.

Brittle-to-Ductile Transition in Metallic Glass Nanowires.

PubMed

Şopu, D; Foroughi, A; Stoica, M; Eckert, J

2016-07-13

When reducing the size of metallic glass samples down to the nanoscale regime, experimental studies on the plasticity under uniaxial tension show a wide range of failure modes ranging from brittle to ductile ones. Simulations on the deformation behavior of nanoscaled metallic glasses report an unusual extended strain softening and are not able to reproduce the brittle-like fracture deformation as found in experiments. Using large-scale molecular dynamics simulations we provide an atomistic understanding of the deformation mechanisms of metallic glass nanowires and differentiate the extrinsic size effects and aspect ratio contribution to plasticity. A model for predicting the critical nanowire aspect ratio for the ductile-to-brittle transition is developed. Furthermore, the structure of brittle nanowires can be tuned to a softer phase characterized by a defective short-range order and an excess free volume upon systematic structural rejuvenation, leading to enhanced tensile ductility. The presented results shed light on the fundamental deformation mechanisms of nanoscaled metallic glasses and demarcate ductile and catastrophic failure.

A high precision semi-analytic mass function

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

Del Popolo, Antonino; Pace, Francesco; Le Delliou, Morgan, E-mail: adelpopolo@oact.inaf.it, E-mail: francesco.pace@manchester.ac.uk, E-mail: delliou@ift.unesp.br

In this paper, extending past works of Del Popolo, we show how a high precision mass function (MF) can be obtained using the excursion set approach and an improved barrier taking implicitly into account a non-zero cosmological constant, the angular momentum acquired by tidal interaction of proto-structures and dynamical friction. In the case of the ΛCDM paradigm, we find that our MF is in agreement at the 3% level to Klypin's Bolshoi simulation, in the mass range M {sub vir} = 5 × 10{sup 9} h {sup −1} M {sub ⊙}–−5 × 10{sup 14} h {sup −1} M {sub ⊙}more » and redshift range 0 ∼< z ∼< 10. For z = 0 we also compared our MF to several fitting formulae, and found in particular agreement with Bhattacharya's within 3% in the mass range 10{sup 12}–10{sup 16} h {sup −1} M {sub ⊙}. Moreover, we discuss our MF validity for different cosmologies.« less

Precision and broadband frequency swept laser source based on high-order modulation-sideband injection-locking.

PubMed

Wei, Fang; Lu, Bin; Wang, Jian; Xu, Dan; Pan, Zhengqing; Chen, Dijun; Cai, Haiwen; Qu, Ronghui

2015-02-23

A precision and broadband laser frequency swept technique is experimentally demonstrated. Using synchronous current compensation, a slave diode laser is dynamically injection-locked to a specific high-order modulation-sideband of a narrow-linewidth master laser modulated by an electro-optic modulator (EOM), whose driven radio frequency (RF) signal can be agilely, precisely controlled by a frequency synthesizer, and the high-order modulation-sideband enables multiplied sweep range and tuning rate. By using 5th order sideband injection-locking, the original tuning range of 3 GHz and tuning rate of 0.5 THz/s is multiplied by 5 times to 15 GHz and 2.5 THz/s respectively. The slave laser has a 3 dB-linewidth of 2.5 kHz which is the same to the master laser. The settling time response of a 10 MHz frequency switching is 2.5 µs. By using higher-order modulation-sideband and optimized experiment parameters, an extended sweep range and rate could be expected.

Multiscale multifractal detrended cross-correlation analysis of financial time series

NASA Astrophysics Data System (ADS)

Shi, Wenbin; Shang, Pengjian; Wang, Jing; Lin, Aijing

2014-06-01

In this paper, we introduce a method called multiscale multifractal detrended cross-correlation analysis (MM-DCCA). The method allows us to extend the description of the cross-correlation properties between two time series. MM-DCCA may provide new ways of measuring the nonlinearity of two signals, and it helps to present much richer information than multifractal detrended cross-correlation analysis (MF-DCCA) by sweeping all the range of scale at which the multifractal structures of complex system are discussed. Moreover, to illustrate the advantages of this approach we make use of the MM-DCCA to analyze the cross-correlation properties between financial time series. We show that this new method can be adapted to investigate stock markets under investigation. It can provide a more faithful and more interpretable description of the dynamic mechanism between financial time series than traditional MF-DCCA. We also propose to reduce the scale ranges to analyze short time series, and some inherent properties which remain hidden when a wide range is used may exhibit perfectly in this way.

Generic accelerated sequence alignment in SeqAn using vectorization and multi-threading.

PubMed

Rahn, René; Budach, Stefan; Costanza, Pascal; Ehrhardt, Marcel; Hancox, Jonny; Reinert, Knut

2018-05-03

Pairwise sequence alignment is undoubtedly a central tool in many bioinformatics analyses. In this paper, we present a generically accelerated module for pairwise sequence alignments applicable for a broad range of applications. In our module, we unified the standard dynamic programming kernel used for pairwise sequence alignments and extended it with a generalized inter-sequence vectorization layout, such that many alignments can be computed simultaneously by exploiting SIMD (Single Instruction Multiple Data) instructions of modern processors. We then extended the module by adding two layers of thread-level parallelization, where we a) distribute many independent alignments on multiple threads and b) inherently parallelize a single alignment computation using a work stealing approach producing a dynamic wavefront progressing along the minor diagonal. We evaluated our alignment vectorization and parallelization on different processors, including the newest Intel® Xeon® (Skylake) and Intel® Xeon Phi™ (KNL) processors, and use cases. The instruction set AVX512-BW (Byte and Word), available on Skylake processors, can genuinely improve the performance of vectorized alignments. We could run single alignments 1600 times faster on the Xeon Phi™ and 1400 times faster on the Xeon® than executing them with our previous sequential alignment module. The module is programmed in C++ using the SeqAn (Reinert et al., 2017) library and distributed with version 2.4. under the BSD license. We support SSE4, AVX2, AVX512 instructions and included UME::SIMD, a SIMD-instruction wrapper library, to extend our module for further instruction sets. We thoroughly test all alignment components with all major C++ compilers on various platforms. rene.rahn@fu-berlin.de.

EnsMart: A Generic System for Fast and Flexible Access to Biological Data

PubMed Central

Kasprzyk, Arek; Keefe, Damian; Smedley, Damian; London, Darin; Spooner, William; Melsopp, Craig; Hammond, Martin; Rocca-Serra, Philippe; Cox, Tony; Birney, Ewan

2004-01-01

The EnsMart system (www.ensembl.org/EnsMart) provides a generic data warehousing solution for fast and flexible querying of large biological data sets and integration with third-party data and tools. The system consists of a query-optimized database and interactive, user-friendly interfaces. EnsMart has been applied to Ensembl, where it extends its genomic browser capabilities, facilitating rapid retrieval of customized data sets. A wide variety of complex queries, on various types of annotations, for numerous species are supported. These can be applied to many research problems, ranging from SNP selection for candidate gene screening, through cross-species evolutionary comparisons, to microarray annotation. Users can group and refine biological data according to many criteria, including cross-species analyses, disease links, sequence variations, and expression patterns. Both tabulated list data and biological sequence output can be generated dynamically, in HTML, text, Microsoft Excel, and compressed formats. A wide range of sequence types, such as cDNA, peptides, coding regions, UTRs, and exons, with additional upstream and downstream regions, can be retrieved. The EnsMart database can be accessed via a public Web site, or through a Java application suite. Both implementations and the database are freely available for local installation, and can be extended or adapted to `non-Ensembl' data sets. PMID:14707178

African Easterly Waves in 30-day High-Resolution Global Simulations: A Case Study During the 2006 NAMMA Period

NASA Technical Reports Server (NTRS)

Shen, Bo-Wen; Tao, Wei-Kuo; Wu, Man-Li C.

2010-01-01

In this study, extended -range (30 -day) high-resolution simulations with the NASA global mesoscale model are conducted to simulate the initiation and propagation of six consecutive African easterly waves (AEWs) from late August to September 2006 and their association with hurricane formation. It is shown that the statistical characteristics of individual AEWs are realistically simulated with larger errors in the 5th and 6th AEWs. Remarkable simulations of a mean African easterly jet (AEJ) are also obtained. Nine additional 30 -day experiments suggest that although land surface processes might contribute to the predictability of the AEJ and AEWs, the initiation and detailed evolution of AEWs still depend on the accurate representation of dynamic and land surface initial conditions and their time -varying nonlinear interactions. Of interest is the potential to extend the lead time for predicting hurricane formation (e.g., a lead time of up to 22 days) as the 4th AEW is realistically simulated.

Investigation of mechanical field weakening of axial flux permanent magnet motor

NASA Astrophysics Data System (ADS)

Syaifuddin Mohd, M.; Aziz, A. Rashid A.; Syafiq Mohd, M.

2015-12-01

An investigation of axial flux permanent magnet motor (AFPM) characteristics was conducted with a proposed mechanical field weakening control mechanisms (by means of stator-rotor force manipulation) on the motor through modeling and experimentation. By varying the air gap between at least two bistable positions, the peak torque and top speed of the motor can be extended. The motor high efficiency region can also be extended to cover greater part of the motor operating points. An analytical model of the motor had been developed to study the correlation between the total attraction force (between the rotor and the stator) and the operating parameters of the motor. The test results shows that the motor output complies with the prediction of the research hypothesis and it is likely that a spring locking mechanism can be built to dynamically adjust the air gap of the motor to increase the operating range and could be applied in electric drivetrain applications to improve overall efficiency of electric and hybrid electric vehicles.

Extending Stability Through Hierarchical Clusters in Echo State Networks

PubMed Central

Jarvis, Sarah; Rotter, Stefan; Egert, Ulrich

2009-01-01

Echo State Networks (ESN) are reservoir networks that satisfy well-established criteria for stability when constructed as feedforward networks. Recent evidence suggests that stability criteria are altered in the presence of reservoir substructures, such as clusters. Understanding how the reservoir architecture affects stability is thus important for the appropriate design of any ESN. To quantitatively determine the influence of the most relevant network parameters, we analyzed the impact of reservoir substructures on stability in hierarchically clustered ESNs, as they allow a smooth transition from highly structured to increasingly homogeneous reservoirs. Previous studies used the largest eigenvalue of the reservoir connectivity matrix (spectral radius) as a predictor for stable network dynamics. Here, we evaluate the impact of clusters, hierarchy and intercluster connectivity on the predictive power of the spectral radius for stability. Both hierarchy and low relative cluster sizes extend the range of spectral radius values, leading to stable networks, while increasing intercluster connectivity decreased maximal spectral radius. PMID:20725523

Observing in space and time the ephemeral nucleation of liquid-to-crystal phase transitions.

PubMed

Yoo, Byung-Kuk; Kwon, Oh-Hoon; Liu, Haihua; Tang, Jau; Zewail, Ahmed H

2015-10-19

The phase transition of crystalline ordering is a general phenomenon, but its evolution in space and time requires microscopic probes for visualization. Here we report direct imaging of the transformation of amorphous titanium dioxide nanofilm, from the liquid state, passing through the nucleation step and finally to the ordered crystal phase. Single-pulse transient diffraction profiles at different times provide the structural transformation and the specific degree of crystallinity (η) in the evolution process. It is found that the temporal behaviour of η exhibits unique 'two-step' dynamics, with a robust 'plateau' that extends over a microsecond; the rate constants vary by two orders of magnitude. Such behaviour reflects the presence of intermediate structure(s) that are the precursor of the ordered crystal state. Theoretically, we extend the well-known Johnson-Mehl-Avrami-Kolmogorov equation, which describes the isothermal process with a stretched-exponential function, but here over the range of times covering the melt-to-crystal transformation.

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

Kortright, Jeffrey Barrett; Sun, Jing; Spencer, Ryan K.

The evolution of molecular morphology in bulk samples of comb diblock copolymer pNdc 12-b-pNte 21 across the lamellar order-disorder transition (ODT) is studied using resonant x-ray scattering at the oxygen K edge, with the goal of determining whether the molecules remain extended or collapse above the ODT. The distinct spectral resonances of carbonyl oxygen on the backbone and ether oxygen in the pNte side chains combine with their different site symmetry within the molecule to yield strong differences in bulk structural sensitivity at all temperatures. Comparison with simple models for the disordered phase clearly reveals that disordering at the ODTmore » corresponds to loss of positional order of molecules with extended backbones that retain orientational order, rather than backbone collapse into a locally isotropic disordered phase. This conclusion is facilitated directly by the distinct structural sensitivity at the two resonances. Lastly, we discuss the roles of depolarized scattering in enhancing this sensitivity, and background fluorescence in limiting dynamic range, in oxygen resonant scattering.« less

Patterns and Oscillations in Reaction-Diffusion Systems with Intrinsic Fluctuations

NASA Astrophysics Data System (ADS)

Giver, Michael; Goldstein, Daniel; Chakraborty, Bulbul

2013-03-01

Intrinsic or demographic noise has been shown to play an important role in the dynamics of a variety of systems including predator-prey populations, biochemical reactions within cells, and oscillatory chemical reaction systems, and is known to give rise to oscillations and pattern formation well outside the parameter range predicted by standard mean-field analysis. Initially motivated by an experimental model of cells and tissues where the cells are represented by chemical reagents isolated in emulsion droplets, we study the stochastic Brusselator, a simple activator-inhibitor chemical reaction model. Our work extends the results of recent studies on the zero and one dimensional systems with the ultimate goals of understanding the role of noise in spatially structured systems and engineering novel patterns and attractors induced by fluctuations. In the zero dimensional system, we observe a noise induced switching between small and large amplitude oscillations when a separation of time scales is present, while the spatially extended system displays a similar switching between a stationary Turing pattern and uniform oscillations.

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

Weiss, Joel T.; Becker, Julian; Shanks, Katherine S.

There is a compelling need for a high frame rate imaging detector with a wide dynamic range, from single x-rays/pixel/pulse to >10{sup 6} x-rays/pixel/pulse, that is capable of operating at both x-ray free electron laser (XFEL) and 3rd generation sources with sustained fluxes of > 10{sup 11} x-rays/pixel/s [1, 2, 3]. We propose to meet these requirements with the High Dynamic Range Pixel Array Detector (HDR-PAD) by (a) increasing the speed of charge removal strategies [4], (b) increasing integrator range by implementing adaptive gain [5], and (c) exploiting the extended charge collection times of electron-hole pair plasma clouds that formmore » when a sufficiently large number of x-rays are absorbed in a detector sensor in a short period of time [6]. We have developed a measurement platform similar to the one used in [6] to study the effects of high electron-hole densities in silicon sensors using optical lasers to emulate the conditions found at XFELs. Characterizations of the employed tunable wavelength laser with picosecond pulse duration have shown Gaussian focal spots sizes of 6 ± 1 µm rms over the relevant spectrum and 2 to 3 orders of magnitude increase in available intensity compared to previous measurements presented in [6]. Results from measurements on a typical pixelated silicon diode intended for use with the HDR-PAD (150 µm pixel size, 500 µm thick sensor) are presented.« less

Distribution of Human papillomavirus load in clinical specimens.

PubMed

Lowe, Brian; O'Neil, Dominic; Loeffert, Dirk; Nazarenko, Irina

2011-04-01

The information about the range and distribution of Human papillomavirus load in clinical specimens is important for the design of accurate clinical tests. The amount of Human papillomavirus in cervical specimens was estimated using the digene HC2 HPV DNA Test(®) (QIAGEN). This semi-quantitative assay is based on linear signal amplification with an analytical limit-of-detection of approximately 2500 virus copies per assay and 3-4 log dynamic range. The dynamic range of the assay was extended by a serial dilution strategy. Two large sets of positive specimens (n=501 and 569) were analyzed and 9-11% of specimens was estimated to contain more than 7 × 10(7) copies of virus. The viral load was also assessed for an assortment of specimens with known cytology diagnoses (n=9435) and histological diagnoses (n=2056). The percentage of specimens with more than 7 × 10(7) copies of virus was estimated to be 0.89 for normal cells, 4.2 for atypical cells (unknown significance), 14.31 for cells of low-grade lesions and 22.24 for cells of high-grade lesions. The viral load increased with disease severity, but its broad distribution may not support its use as a disease biomarker. This information is important for assay design and automation, where cross-reactivity and sample-to-sample contamination must be addressed rigorously. Copyright © 2011 Elsevier B.V. All rights reserved.

Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS.

PubMed

Grindon, Christina; Harris, Sarah; Evans, Tom; Novik, Keir; Coveney, Peter; Laughton, Charles

2004-07-15

Molecular modelling played a central role in the discovery of the structure of DNA by Watson and Crick. Today, such modelling is done on computers: the more powerful these computers are, the more detailed and extensive can be the study of the dynamics of such biological macromolecules. To fully harness the power of modern massively parallel computers, however, we need to develop and deploy algorithms which can exploit the structure of such hardware. The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a scalable molecular dynamics code including long-range Coulomb interactions, which has been specifically designed to function efficiently on parallel platforms. Here we describe the implementation of the AMBER98 force field in LAMMPS and its validation for molecular dynamics investigations of DNA structure and flexibility against the benchmark of results obtained with the long-established code AMBER6 (Assisted Model Building with Energy Refinement, version 6). Extended molecular dynamics simulations on the hydrated DNA dodecamer d(CTTTTGCAAAAG)(2), which has previously been the subject of extensive dynamical analysis using AMBER6, show that it is possible to obtain excellent agreement in terms of static, dynamic and thermodynamic parameters between AMBER6 and LAMMPS. In comparison with AMBER6, LAMMPS shows greatly improved scalability in massively parallel environments, opening up the possibility of efficient simulations of order-of-magnitude larger systems and/or for order-of-magnitude greater simulation times.

Examining Extreme Events Using Dynamically Downscaled 12-km WRF Simulations

EPA Science Inventory

Continued improvements in the speed and availability of computational resources have allowed dynamical downscaling of global climate model (GCM) projections to be conducted at increasingly finer grid scales and over extended time periods. The implementation of dynamical downscal...

Heliospheric Neutral Atom Spectra Between 0.01 and 6 keV fom IBEX

NASA Technical Reports Server (NTRS)

Fuselier, S. A.; Allegrini, F.; Bzowski, M.; Funsten, H. O.; Ghielmetti, A. G.; Gloeckler, G.; Heirtzler, D.; Janzen, P.; Kubiak, M.; Kucharek, H.;

Current Trends in Satellite Laser Ranging

NASA Technical Reports Server (NTRS)

Pearlman, M. R.; Appleby, G. M.; Kirchner, G.; McGarry, J.; Murphy, T.; Noll, C. E.; Pavlis, E. C.; Pierron, F.

2010-01-01

Satellite Laser Ranging (SLR) techniques are used to accurately measure the distance from ground stations to retroreflectors on satellites and the moon. SLR is one of the fundamental techniques that define the international Terrestrial Reference Frame (iTRF), which is the basis upon which we measure many aspects of global change over space, time, and evolving technology. It is one of the fundamental techniques that define at a level of precision of a few mm the origin and scale of the ITRF. Laser Ranging provides precision orbit determination and instrument calibration/validation for satellite-borne altimeters for the better understanding of sea level change, ocean dynamics, ice budget, and terrestrial topography. Laser ranging is also a tool to study the dynamics of the Moon and fundamental constants. Many of the GNSS satellites now carry retro-reflectors for improved orbit determination, harmonization of reference frames, and in-orbit co-location and system performance validation. The GNSS Constellations will be the means of making the reference frame available to worldwide users. Data and products from these measurements support key aspects of the GEOSS 10-Year implementation Plan adopted on February 16, 2005, The ITRF has been identified as a key contribution of the JAG to GEOSS and the ILRS makes a major contribution for its development since its foundation. The ILRS delivers weekly additional realizations that are accumulated sequentially to extend the ITRF and the Earth Orientation Parameter (EOP) series with a daily resolution. Additional products are currently under development such as precise orbits of satellites, EOP with daily availability, low-degree gravitational harmonics for studies of Earth dynamics and kinematics, etc. SLR technology continues to evolve toward the next generation laser ranging systems as programmatic requirements become more stringent. Ranging accuracy is improving as higher repetition rate, narrower pulse lasers and faster detectors are implemented. Automation and pass interleaving at some stations is already expanding temporal coverage. Web-based safety keys are allowing the SLR network stations to range to optically vulnerable satellites. Some stations are experimenting with two-wavelength operation as a means of better understanding the atmospheric refraction and with very low power laser to improve eye-safety conditions. New retroreflector designs are improving the signal link and enable daylight ranging. Dramatic improvements have also been made with lunar ranging with the new APOLLO Site in New ?Mexico, USA and the upgraded lunar station "MEO" in Grasse,

Mapping users' expectations regarding extended-range forecasts

NASA Astrophysics Data System (ADS)

Ervasti, Tiina; Gregow, Hilppa; Vajda, Andrea; Laurila, Terhi K.; Mäkelä, Antti

2018-05-01

An online survey was used to map the needs and preferences of the Finnish general public concerning extended-range forecasts and their presentation. First analyses of the survey were used to guide the co-design process of novel extended-range forecasts to be developed and tested during the project. In addition, the survey was used to engage the respondents from the general public to participate in a one year piloting phase that started in June 2017. The respondents considered that the tailored extended-range forecasts would be beneficial in planning activities, preparing for the weather risks and scheduling the everyday life. The respondents also perceived the information about the impacts of weather conditions more important than advice on how to prepare for the impacts.

Computation of the spectrum of spatial Lyapunov exponents for the spatially extended beam-plasma systems and electron-wave devices

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

Hramov, Alexander E.; Saratov State Technical University, Politechnicheskaja str., 77, Saratov 410054; Koronovskii, Alexey A.

2012-08-15

The spectrum of Lyapunov exponents is powerful tool for the analysis of the complex system dynamics. In the general framework of nonlinear dynamics, a number of the numerical techniques have been developed to obtain the spectrum of Lyapunov exponents for the complex temporal behavior of the systems with a few degree of freedom. Unfortunately, these methods cannot be applied directly to analysis of complex spatio-temporal dynamics of plasma devices which are characterized by the infinite phase space, since they are the spatially extended active media. In the present paper, we propose the method for the calculation of the spectrum ofmore » the spatial Lyapunov exponents (SLEs) for the spatially extended beam-plasma systems. The calculation technique is applied to the analysis of chaotic spatio-temporal oscillations in three different beam-plasma model: (1) simple plasma Pierce diode, (2) coupled Pierce diodes, and (3) electron-wave system with backward electromagnetic wave. We find an excellent agreement between the system dynamics and the behavior of the spectrum of the spatial Lyapunov exponents. Along with the proposed method, the possible problems of SLEs calculation are also discussed. It is shown that for the wide class of the spatially extended systems, the set of quantities included in the system state for SLEs calculation can be reduced using the appropriate feature of the plasma systems.« less

Achieving biopolymer synergy in systems chemistry.

PubMed

Bai, Yushi; Chotera, Agata; Taran, Olga; Liang, Chen; Ashkenasy, Gonen; Lynn, David G

2018-05-31

Synthetic and materials chemistry initiatives have enabled the translation of the macromolecular functions of biology into synthetic frameworks. These explorations into alternative chemistries of life attempt to capture the versatile functionality and adaptability of biopolymers in new orthogonal scaffolds. Information storage and transfer, however, so beautifully represented in the central dogma of biology, require multiple components functioning synergistically. Over a single decade, the emerging field of systems chemistry has begun to catalyze the construction of mutualistic biopolymer networks, and this review begins with the foundational small-molecule-based dynamic chemical networks and peptide amyloid-based dynamic physical networks on which this effort builds. The approach both contextualizes the versatile approaches that have been developed to enrich chemical information in synthetic networks and highlights the properties of amyloids as potential alternative genetic elements. The successful integration of both chemical and physical networks through β-sheet assisted replication processes further informs the synergistic potential of these networks. Inspired by the cooperative synergies of nucleic acids and proteins in biology, synthetic nucleic-acid-peptide chimeras are now being explored to extend their informational content. With our growing range of synthetic capabilities, structural analyses, and simulation technologies, this foundation is radically extending the structural space that might cross the Darwinian threshold for the origins of life as well as creating an array of alternative systems capable of achieving the progressive growth of novel informational materials.

Wire Probe Antenna (WPT) and Electric Field Detector (EFD0 of Plasma Wave Experiment (PWE) aboard ARASE: Specifications and Evaluation results

NASA Astrophysics Data System (ADS)

Matsuda, S.; Kasaba, Y.; Ishisaka, K.; Kasahara, Y.; Imachi, T.; Yagitani, S.; Kojima, H.; Kurita, S.; Shoji, M.; Hori, T.; Shinbori, A.; Teramoto, M.; Miyoshi, Y.; Nakagawa, T.; Takahashi, N.; Nishimura, Y.; Matsuoka, A.; Tsuchiya, F.; Kumamoto, A.; Nomura, R.

2017-12-01

This paper summarizes the specifications and the evaluation results of Wire Probe Antenna (WPT) and Electric Field Detector (EFD), which are the key parts of Plasma Wave Experiment (PWE) aboard the Arase satellite, in their initial operations and the beginning phase of the full observations. WPT consists of the two dipole antennas as electric field sensors with 32m tip-to-tip length, with a sphere probe (6 cm diameter) attached at each end of wires (length: 15-m). They are extended orthogonally in the spin plane which is roughly perpendicular to the Sun. It enables the PWE to measure the E-field from DC to 10 MHz. This system is almost compatible to the WPT of the Plasma Wave Investigation (PWI) aboard BepiColombo Mercury Magnetospheric Orbiter, except the material of the spherical probe (ERG: Aluminium alloy, MMO: Titanium-alloy). This paper shows the extended length evaluated by the Lorentz force (spacecraft velocity x B-field) and the antenna impedance as the basic information of the E-field measurement capability of the PWE E-field receivers, with the evaluation for the possible degradation of the probe surface coated by TiAlN as BepiColombo. EFD is the 2-channel low frequency electric receiver as a part of EWO (EFD/WFC/OFA), for the measurement of 2ch electric field in the spin-plane with the sampling rate of 512 Hz (dynamic range: +-200 mV/m, +-3 V/m) and the 4ch spacecraft potential with the sampling rate of 128 Hz (dynamic range: +-100 V), respectively, with the bias control capability fed to the WPT probes. The electric field in DC - 232Hz provides the capability to detect (1) the fundamental information of the plasma dynamics and accelerations and (2) the characteristics of MHD and ion waves with their Poynting vectors with the data measured by MGF and PWE/WFC-B connected to PWE/SCM. The spacecraft potential provides the electron density information with UHR frequency. This paper also introduces the data sets and their calibration status.

Automating the generation of finite element dynamical cores with Firedrake

NASA Astrophysics Data System (ADS)

Ham, David; Mitchell, Lawrence; Homolya, Miklós; Luporini, Fabio; Gibson, Thomas; Kelly, Paul; Cotter, Colin; Lange, Michael; Kramer, Stephan; Shipton, Jemma; Yamazaki, Hiroe; Paganini, Alberto; Kärnä, Tuomas

2017-04-01

The development of a dynamical core is an increasingly complex software engineering undertaking. As the equations become more complete, the discretisations more sophisticated and the hardware acquires ever more fine-grained parallelism and deeper memory hierarchies, the problem of building, testing and modifying dynamical cores becomes increasingly complex. Here we present Firedrake, a code generation system for the finite element method with specialist features designed to support the creation of geoscientific models. Using Firedrake, the dynamical core developer writes the partial differential equations in weak form in a high level mathematical notation. Appropriate function spaces are chosen and time stepping loops written at the same high level. When the programme is run, Firedrake generates high performance C code for the resulting numerics which are executed in parallel. Models in Firedrake typically take a tiny fraction of the lines of code required by traditional hand-coding techniques. They support more sophisticated numerics than are easily achieved by hand, and the resulting code is frequently higher performance. Critically, debugging, modifying and extending a model written in Firedrake is vastly easier than by traditional methods due to the small, highly mathematical code base. Firedrake supports a wide range of key features for dynamical core creation: A vast range of discretisations, including both continuous and discontinuous spaces and mimetic (C-grid-like) elements which optimally represent force balances in geophysical flows. High aspect ratio layered meshes suitable for ocean and atmosphere domains. Curved elements for high accuracy representations of the sphere. Support for non-finite element operators, such as parametrisations. Access to PETSc, a world-leading library of programmable linear and nonlinear solvers. High performance adjoint models generated automatically by symbolically reasoning about the forward model. This poster will present the key features of the Firedrake system, as well as those of Gusto, an atmospheric dynamical core, and Thetis, a coastal ocean model, both of which are written in Firedrake.

Noise Source Identification and Dynamic Modeling of a Pneumatic Nailing Device =

NASA Astrophysics Data System (ADS)

Nili Ahmadabadi, Zahra

Exposure to hazardous noise levels emitted by pneumatic nailing devices contributes significantly to risk of hearing damage among the construction workers throughout the world. This health problem comes from the lack of appropriate technology such as low noise devices which in turn results from the lack of scientific knowledge about designing reduced noise devices. This study contributes to the design improvement of pneumatic nailing devices through identifying the noise sources and developing the simulation tool required to redesign the pneumatic nailing device. To identify the noise sources, the study uses a combination of two complementary experimental approaches. The first makes use of time-synchronized data analysis of several variables during the machine operation. This strategy allows identifying the physical processes and provides a detailed separation of the noise generation mechanisms in successive time sequences. However, since multiple noise sources radiate at the same time, this observation approach is not sufficient for noise source identification and ranking. Thus, it is completed by a selective wrapping and muffler procedure. This technique provides overall generated noise associated with each process, as well as ranking of the three major sources: (1) exhaust noise, (2) machine body vibrations, and (3) workpiece vibrations. A special investigation is conducted on this third one with two cases: a workpiece/worktable setup representative of the actual field usage of a nailing device and a workpiece/sandbox setup used in a standardized laboratory test. The study evaluates the efficiency of the workpiece/sandbox setup in reducing the workpiece radiation and obtains a typical workpiece contribution on an actual worksite. To provide a simulation tool, a dynamic model of the pneumatic nailing device needs to be developed. Dynamic modeling of the nailing device requires mathematical modeling of the physical processes involved in its operation. All of these processes can be described through already existing mathematical relations, except for the penetration resistance force (PRF) imposed on the nails when penetrating the wood. The PRF depends on various factors. This study follows two approaches in parallel to develop an empirical prediction law for the PRF: quasi-static and high-speed. The quasi-static approach provides a rapid and precise representation of the law at quasistatic penetration velocities. The law covers the entire displacement range, various nail geometries and sizes, and wood types. The high-speed approach aims to provide a law which covers a much wider range of penetration velocities. The approach is complicated since it requires a sophisticated test machine to conduct the nail driving tests at high penetration velocities. The study designs and fabricates an advanced test machine to later extend the prediction range of the PRF law. The last part of this study develops the dynamic model of a nail gun while integrating the quasi-static PRF law. The model includes dynamics of all the air chambers and the moving parts, and interactions and impacts/contacts between different parts. The study integrates a comprehensive experimental validation of the model. Future improvements in the dynamic model precision will be possible by using the extended version of the PRF law.

Refractive index-based detection of gradient elution liquid chromatography using chip-integrated microring resonator arrays.

PubMed

Wade, James H; Bailey, Ryan C

2014-01-07

Refractive index-based sensors offer attractive characteristics as nondestructive and universal detectors for liquid chromatographic separations, but a small dynamic range and sensitivity to minor thermal perturbations limit the utility of commercial RI detectors for many potential applications, especially those requiring the use of gradient elutions. As such, RI detectors find use almost exclusively in sample abundant, isocratic separations when interfaced with high-performance liquid chromatography. Silicon photonic microring resonators are refractive index-sensitive optical devices that feature good sensitivity and tremendous dynamic range. The large dynamic range of microring resonators allows the sensors to function across a wide spectrum of refractive indices, such as that encountered when moving from an aqueous to organic mobile phase during a gradient elution, a key analytical advantage not supported in commercial RI detectors. Microrings are easily configured into sensor arrays, and chip-integrated control microrings enable real-time corrections of thermal drift. Thermal controls allow for analyses at any temperature and, in the absence of rigorous temperature control, obviates extended detector equilibration wait times. Herein, proof of concept isocratic and gradient elution separations were performed using well-characterized model analytes (e.g., caffeine, ibuprofen) in both neat buffer and more complex sample matrices. These experiments demonstrate the ability of microring arrays to perform isocratic and gradient elutions under ambient conditions, avoiding two major limitations of commercial RI-based detectors and maintaining comparable bulk RI sensitivity. Further benefit may be realized in the future through selective surface functionalization to impart degrees of postcolumn (bio)molecular specificity at the detection phase of a separation. The chip-based and microscale nature of microring resonators also make it an attractive potential detection technology that could be integrated within lab-on-a-chip and microfluidic separation devices.

Performance of a GM tube based environmental dose rate monitor operating in the Time-To-Count mode

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

Zickefoose, J.; Kulkarni, T.; Martinson, T.

The events at the Fukushima Daiichi power plant in the aftermath of a natural disaster underline the importance of a large array of networked environmental monitors to cover areas around nuclear power plants. These monitors should meet a few basic criteria: have a uniform response over a wide range of gamma energies, have a uniform response over a wide range of incident angles, and have a large dynamic range. Many of these criteria are met if the probe is qualified to the international standard IEC 60532 (Radiation protection instrumentation - Installed dose rate meters, warning assemblies and monitors - Xmore » and gamma radiation of energy between 50 keV and 7 MeV), which specifically deals with energy response, angle of incidence, dynamic range, response time, and a number of environmental characteristics. EcoGamma is a dual GM tube environmental gamma radiation monitor designed specifically to meet the requirements of IEC 60532 and operate in the most extreme conditions. EcoGamma utilizes two energy compensated GM tubes operating with a Time-To-Count (TTC) collection algorithm. The TTC algorithm extends the lifetime and range of a GM tube significantly and allows the dual GM tube probe to achieve linearity over approximately 10 decades of gamma dose rate (from the Sv/hr range to 100 Sv/hr). In the TTC mode of operation, the GM tube is not maintained in a biased condition continuously. This is different from a traditional counting system where the GM tube is held at a constant bias continuously and the total number of strikes that the tube registers are counted. The traditional approach allows for good sensitivity, but does not lend itself to a long lifetime of the tube and is susceptible to linearity issues at high count rates. TTC on the other hand only biases the tube for short periods of time and in effect measures the time between events, which is statistically representative of the total strike rate. Since the tube is not continually biased, the life of the tube is extended and the linearity is greatly improved. Testing has been performed at Pacific Northwest National Laboratory (PNNL) in the USA and confirms compliance to IEC 60532 as well as linearity (± 10%) up to 100 Sv/hr. Furthermore, a network of EcoGamma probes may be linked through available supervisory software to provide a dose rate map of an area. This allows for real time monitoring of dose rates from one (or multiple) remote locations. (authors)« less

Thermotemporal dynamics of contaminant bacteria and antimicrobials in extended porcine semen.

PubMed

Althouse, G C; Pierdon, M S; Lu, K G

2008-11-01

Bacterial contamination of extended porcine semen has been associated with deleterious effects on both semen quality and sow fertility. Retrospective, prospective and in vitro studies were performed to delineate the prevalence and behavior of certain bacterial contaminants in extended semen, and antimicrobial pharmacodynamics in various semen diluents. Retrospective review of extended semen samples submitted from North American boar studs for microbiological screening at the University of Pennsylvania Reference Andrology Laboratory in 2005 and 2006 yielded bacteriospermia prevalence rates of 17% (144/832) and 26% (256/984), respectively. In a prospective study of regional boar studs, of 91 extended semen samples tested over 1-y, 29% were positive for bacteriospermia. Retrospective and prospective studies both showed that the preponderance of contaminant positive samples occurred during the fall months (P<0.05). To better understand behavior of select contaminant bacteria, generation intervals were determined for Serratia marcescens (SM) and Achromobacter xylosoxidans (AX) at 16, 22 and 37 degrees C. Generation times were temperature-dependent, with intervals decreasing two- to four-fold as incubation temperature increased. Growth patterns for SM, AX and Burkholderia cepacia were evaluated in various semen diluents. The different diluents exhibited constant or episodic patterns of growth within and among bacteria throughout the 5-d test period. Kill-time kinetics at 37 degrees C of several genera of bacteria in four semen diluents containing amoxicillin, gentamicin, tylosin, and lincomycin/spectinomycin (single drug or combination) ranged from 75 to over 360min, and was highly dependent (P<0.05) upon both type of bacteria and semen diluent.

Inference for dynamics of continuous variables: the extended Plefka expansion with hidden nodes

NASA Astrophysics Data System (ADS)

Bravi, B.; Sollich, P.

2017-06-01

We consider the problem of a subnetwork of observed nodes embedded into a larger bulk of unknown (i.e. hidden) nodes, where the aim is to infer these hidden states given information about the subnetwork dynamics. The biochemical networks underlying many cellular and metabolic processes are important realizations of such a scenario as typically one is interested in reconstructing the time evolution of unobserved chemical concentrations starting from the experimentally more accessible ones. We present an application to this problem of a novel dynamical mean field approximation, the extended Plefka expansion, which is based on a path integral description of the stochastic dynamics. As a paradigmatic model we study the stochastic linear dynamics of continuous degrees of freedom interacting via random Gaussian couplings. The resulting joint distribution is known to be Gaussian and this allows us to fully characterize the posterior statistics of the hidden nodes. In particular the equal-time hidden-to-hidden variance—conditioned on observations—gives the expected error at each node when the hidden time courses are predicted based on the observations. We assess the accuracy of the extended Plefka expansion in predicting these single node variances as well as error correlations over time, focussing on the role of the system size and the number of observed nodes.

Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive

NASA Astrophysics Data System (ADS)

Shan, Tzu-Ray; Wixom, Ryan R.; Thompson, Aidan P.

2016-08-01

In both continuum hydrodynamics simulations and also multimillion atom reactive molecular dynamics simulations of shockwave propagation in single crystal pentaerythritol tetranitrate (PETN) containing a cylindrical void, we observed the formation of an initial radially symmetric hot spot. By extending the simulation time to the nanosecond scale, however, we observed the transformation of the small symmetric hot spot into a longitudinally asymmetric hot region extending over a much larger volume. Performing reactive molecular dynamics shock simulations using the reactive force field (ReaxFF) as implemented in the LAMMPS molecular dynamics package, we showed that the longitudinally asymmetric hot region was formed by coalescence of the primary radially symmetric hot spot with a secondary triangular hot zone. We showed that the triangular hot zone coincided with a double-shocked region where the primary planar shockwave was overtaken by a secondary cylindrical shockwave. The secondary cylindrical shockwave originated in void collapse after the primary planar shockwave had passed over the void. A similar phenomenon was observed in continuum hydrodynamics shock simulations using the CTH hydrodynamics package. The formation and growth of extended asymmetric hot regions on nanosecond timescales has important implications for shock initiation thresholds in energetic materials.

The dynamical systems approach to numerical integration

NASA Astrophysics Data System (ADS)

Wisdom, Jack

2018-03-01

The dynamical systems approach to numerical integration is reviewed and extended. The new method is compared to some alternative methods based on the Lie series approach. The test problem is the motion of the outer planets. The algorithms developed using the dynamical systems approach perform well.

Space telescope optical telescope assembly/scientific instruments. Phase B: Preliminary design and program definition study. Volume 2A(3): Astrometry

NASA Technical Reports Server (NTRS)

1976-01-01

Wide field measurements, namely, measurements of relative angular separations between stars over a relatively wide field for parallax and proper motion determinations, were made with the third fine guidance sensor. Narrow field measurements, i.e., double star measurements, are accomplished primarily with the area photometer or faint object camera at f/96. The wavelength range required can be met by the fine guidance sensor which has a spectral coverage from 3000 to 7500 A. The field of view of the fine guidance sensor also exceeds that required for the wide field astrometric instrument. Requirements require a filter wheel for the wide field astrometer, and so one was incorporated into the design of the fine guidance sensor. The filter wheel probably would contain two neutral density filters to extend the dynamic range of the sensor and three spectral filters for narrowing effective double star magnitude difference.

Trapped atoms along nanophotonic resonators

NASA Astrophysics Data System (ADS)

Fields, Brian; Kim, May; Chang, Tzu-Han; Hung, Chen-Lung

2017-04-01

Many-body systems subject to long-range interactions have remained a very challenging topic experimentally. Ultracold atoms trapped in extreme proximity to the surface of nanophotonic structures provides a dynamic system combining the strong atom-atom interactions mediated by guided mode photons with the exquisite control implemented with trapped atom systems. The hybrid system promises pair-wise tunability of long-range interactions between atomic pseudo spins, allowing studies of quantum magnetism extending far beyond nearest neighbor interactions. In this talk, we will discuss our current status developing high quality nanophotonic ring resonators, engineered on CMOS compatible optical chips with integrated nanostructures that, in combination with a side illuminating beam, can realize stable atom traps approximately 100nm above the surface. We will report on our progress towards loading arrays of cold atoms near the surface of these structures and studying atom-atom interaction mediated by photons with high cooperativity.

Parametric study on laminar flow for finite wings at supersonic speeds

NASA Technical Reports Server (NTRS)

Garcia, Joseph Avila

1994-01-01

Laminar flow control has been identified as a key element in the development of the next generation of High Speed Transports. Extending the amount of laminar flow over an aircraft will increase range, payload, and altitude capabilities as well as lower fuel requirements, skin temperature, and therefore the overall cost. A parametric study to predict the extent of laminar flow for finite wings at supersonic speeds was conducted using a computational fluid dynamics (CFD) code coupled with a boundary layer stability code. The parameters investigated in this study were Reynolds number, angle of attack, and sweep. The results showed that an increase in angle of attack for specific Reynolds numbers can actually delay transition. Therefore, higher lift capability, caused by the increased angle of attack, as well as a reduction in viscous drag, due to the delay in transition, can be expected simultaneously. This results in larger payload and range.

An autoregulatory circuit for long-range self-organization in Dictyostelium cell populations.

PubMed

Sawai, Satoshi; Thomason, Peter A; Cox, Edward C

2005-01-20

Nutrient-deprived Dictyostelium amoebae aggregate to form a multicellular structure by chemotaxis, moving towards propagating waves of cyclic AMP that are relayed from cell to cell. Organizing centres are not formed by founder cells, but are dynamic entities consisting of cores of outwardly rotating spiral waves that self-organize in a homogeneous cell population. Spiral waves are ubiquitously observed in chemical reactions as well as in biological systems. Although feedback control of spiral waves in spatially extended chemical reactions has been demonstrated in recent years, the mechanism by which control is achieved in living systems is unknown. Here we show that mutants of the cyclic AMP/protein kinase A pathway show periodic signalling, but fail to organize coherent long-range wave territories, owing to the appearance of numerous spiral cores. A theoretical model suggests that autoregulation of cell excitability mediated by protein kinase A acts to optimize the number of signalling centres.

Universality in survivor distributions: Characterizing the winners of competitive dynamics

NASA Astrophysics Data System (ADS)

Luck, J. M.; Mehta, A.

2015-11-01

We investigate the survivor distributions of a spatially extended model of competitive dynamics in different geometries. The model consists of a deterministic dynamical system of individual agents at specified nodes, which might or might not survive the predatory dynamics: all stochasticity is brought in by the initial state. Every such initial state leads to a unique and extended pattern of survivors and nonsurvivors, which is known as an attractor of the dynamics. We show that the number of such attractors grows exponentially with system size, so that their exact characterization is limited to only very small systems. Given this, we construct an analytical approach based on inhomogeneous mean-field theory to calculate survival probabilities for arbitrary networks. This powerful (albeit approximate) approach shows how universality arises in survivor distributions via a key concept—the dynamical fugacity. Remarkably, in the large-mass limit, the survivor probability of a node becomes independent of network geometry and assumes a simple form which depends only on its mass and degree.

Highly Resolved Studies of Vacuum Ultraviolet Photoionization Dynamics

NASA Astrophysics Data System (ADS)

Kakar, Sandeep

We use measurements of dispersed fluorescence from electronically excited photoions to study fundamental aspects of intramolecular dynamics. Our experimental innovations make it possible to obtain highly resolved photoionization data that offer qualitative insights into molecular scattering. In particular, we obtain vibrationally resolved data to probe coupling between the electronic and nuclear degrees of freedom by studying the distribution of vibrational energy among photoions. Vibrationally resolved branching ratios are measured over a broad spectral range of excitation energy and their non-Franck-Condon behavior is used as a tool to investigate two diverse aspects of shape resonant photoionization. First, vibrational branching ratios are obtained for the SiF_4 5a _1^{-1} and CS_2 5sigma_{rm u} ^{-1} photoionization channels to help elucidate the microscopic aspects of shape resonant wavefunction for polyatomic molecules. It is shown that in such molecules the shape resonant wavefunction is not necessarily attributable to a specific bond in the molecule. Second, the multichannel aspect of shape resonant photoionization dynamics, reflected in continuum channel coupling, is investigated by obtaining vibrational branching ratios for the 2 sigma_{rm u}^{ -1} and 4sigma^{ -1} photoionization of the isoelectronic molecules N_2 and CO, respectively. These data indicate that effects of continuum coupling may be widespread. We also present the first set of rotationally resolved data over a wide energy range for the 2 sigma_{rm u}^{ -1} photoionization of N_2. These data probe the partitioning of the angular momentum between the photoelectron and photoion, and highlight the multicenter nature of the molecular potential. These case studies illustrate the utility of dispersed fluorescence measurements as a complement to photoelectron spectroscopy for obtaining highly resolved data for molecular photoionization. These measurements makes it possible to probe intrinsically molecular aspects, such as the vibration and rotation, of photoionization dynamics over an extended spectral range when used in conjunction with synchrotron radiation as the exciting source. Furthermore, the high resolution made possible by this technique provides high selectivity for accessing weaker ionization channels which are the ones strongly affected by resonant activity, and the present study repeatedly stresses the importance of this capability in discovering and deciphering new trends in resonant molecular ionization dynamics.

ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines.

PubMed

Chen, Haochuan; Fu, Haohao; Shao, Xueguang; Chipot, Christophe; Cai, Wensheng

2018-06-18

Extended adaptive biasing force (eABF), a collective variable (CV)-based importance-sampling algorithm, has proven to be very robust and efficient compared with the original ABF algorithm. Its implementation in Colvars, a software addition to molecular dynamics (MD) engines, is, however, currently limited to NAMD and LAMMPS. To broaden the scope of eABF and its variants, like its generalized form (egABF), and make them available to other MD engines, e.g., GROMACS, AMBER, CP2K, and openMM, we present a PLUMED-based implementation, called extended-Lagrangian free energy calculation (ELF). This implementation can be used as a stand-alone gradient estimator for other CV-based sampling algorithms, such as temperature-accelerated MD (TAMD) and extended-Lagrangian metadynamics (MtD). ELF provides the end user with a convenient framework to help select the best-suited importance-sampling algorithm for a given application without any commitment to a particular MD engine.

Extending Integrate-and-Fire Model Neurons to Account for the Effects of Weak Electric Fields and Input Filtering Mediated by the Dendrite.

PubMed

Aspart, Florian; Ladenbauer, Josef; Obermayer, Klaus

2016-11-01

Transcranial brain stimulation and evidence of ephaptic coupling have recently sparked strong interests in understanding the effects of weak electric fields on the dynamics of brain networks and of coupled populations of neurons. The collective dynamics of large neuronal populations can be efficiently studied using single-compartment (point) model neurons of the integrate-and-fire (IF) type as their elements. These models, however, lack the dendritic morphology required to biophysically describe the effect of an extracellular electric field on the neuronal membrane voltage. Here, we extend the IF point neuron models to accurately reflect morphology dependent electric field effects extracted from a canonical spatial "ball-and-stick" (BS) neuron model. Even in the absence of an extracellular field, neuronal morphology by itself strongly affects the cellular response properties. We, therefore, derive additional components for leaky and nonlinear IF neuron models to reproduce the subthreshold voltage and spiking dynamics of the BS model exposed to both fluctuating somatic and dendritic inputs and an extracellular electric field. We show that an oscillatory electric field causes spike rate resonance, or equivalently, pronounced spike to field coherence. Its resonance frequency depends on the location of the synaptic background inputs. For somatic inputs the resonance appears in the beta and gamma frequency range, whereas for distal dendritic inputs it is shifted to even higher frequencies. Irrespective of an external electric field, the presence of a dendritic cable attenuates the subthreshold response at the soma to slowly-varying somatic inputs while implementing a low-pass filter for distal dendritic inputs. Our point neuron model extension is straightforward to implement and is computationally much more efficient compared to the original BS model. It is well suited for studying the dynamics of large populations of neurons with heterogeneous dendritic morphology with (and without) the influence of weak external electric fields.

Extending Integrate-and-Fire Model Neurons to Account for the Effects of Weak Electric Fields and Input Filtering Mediated by the Dendrite

PubMed Central

Obermayer, Klaus

2016-01-01

Transcranial brain stimulation and evidence of ephaptic coupling have recently sparked strong interests in understanding the effects of weak electric fields on the dynamics of brain networks and of coupled populations of neurons. The collective dynamics of large neuronal populations can be efficiently studied using single-compartment (point) model neurons of the integrate-and-fire (IF) type as their elements. These models, however, lack the dendritic morphology required to biophysically describe the effect of an extracellular electric field on the neuronal membrane voltage. Here, we extend the IF point neuron models to accurately reflect morphology dependent electric field effects extracted from a canonical spatial “ball-and-stick” (BS) neuron model. Even in the absence of an extracellular field, neuronal morphology by itself strongly affects the cellular response properties. We, therefore, derive additional components for leaky and nonlinear IF neuron models to reproduce the subthreshold voltage and spiking dynamics of the BS model exposed to both fluctuating somatic and dendritic inputs and an extracellular electric field. We show that an oscillatory electric field causes spike rate resonance, or equivalently, pronounced spike to field coherence. Its resonance frequency depends on the location of the synaptic background inputs. For somatic inputs the resonance appears in the beta and gamma frequency range, whereas for distal dendritic inputs it is shifted to even higher frequencies. Irrespective of an external electric field, the presence of a dendritic cable attenuates the subthreshold response at the soma to slowly-varying somatic inputs while implementing a low-pass filter for distal dendritic inputs. Our point neuron model extension is straightforward to implement and is computationally much more efficient compared to the original BS model. It is well suited for studying the dynamics of large populations of neurons with heterogeneous dendritic morphology with (and without) the influence of weak external electric fields. PMID:27893786

Experimental and analytical study of secondary path variations in active engine mounts

NASA Astrophysics Data System (ADS)

Hausberg, Fabian; Scheiblegger, Christian; Pfeffer, Peter; Plöchl, Manfred; Hecker, Simon; Rupp, Markus

2015-03-01

Active engine mounts (AEMs) provide an effective solution to further improve the acoustic and vibrational comfort of passenger cars. Typically, adaptive feedforward control algorithms, e.g., the filtered-x-least-mean-squares (FxLMS) algorithm, are applied to cancel disturbing engine vibrations. These algorithms require an accurate estimate of the AEM active dynamic characteristics, also known as the secondary path, in order to guarantee control performance and stability. This paper focuses on the experimental and theoretical study of secondary path variations in AEMs. The impact of three major influences, namely nonlinearity, change of preload and component temperature, on the AEM active dynamic characteristics is experimentally analyzed. The obtained test results are theoretically investigated with a linear AEM model which incorporates an appropriate description for elastomeric components. A special experimental set-up extends the model validation of the active dynamic characteristics to higher frequencies up to 400 Hz. The theoretical and experimental results show that significant secondary path variations are merely observed in the frequency range of the AEM actuator's resonance frequency. These variations mainly result from the change of the component temperature. As the stability of the algorithm is primarily affected by the actuator's resonance frequency, the findings of this paper facilitate the design of AEMs with simpler adaptive feedforward algorithms. From a practical point of view it may further be concluded that algorithmic countermeasures against instability are only necessary in the frequency range of the AEM actuator's resonance frequency.

Optimal Control Problems with Switching Points. Ph.D. Thesis, 1990 Final Report

NASA Technical Reports Server (NTRS)

Seywald, Hans

1991-01-01

The main idea of this report is to give an overview of the problems and difficulties that arise in solving optimal control problems with switching points. A brief discussion of existing optimality conditions is given and a numerical approach for solving the multipoint boundary value problems associated with the first-order necessary conditions of optimal control is presented. Two real-life aerospace optimization problems are treated explicitly. These are altitude maximization for a sounding rocket (Goddard Problem) in the presence of a dynamic pressure limit, and range maximization for a supersonic aircraft flying in the vertical, also in the presence of a dynamic pressure limit. In the second problem singular control appears along arcs with active dynamic pressure limit, which in the context of optimal control, represents a first-order state inequality constraint. An extension of the Generalized Legendre-Clebsch Condition to the case of singular control along state/control constrained arcs is presented and is applied to the aircraft range maximization problem stated above. A contribution to the field of Jacobi Necessary Conditions is made by giving a new proof for the non-optimality of conjugate paths in the Accessory Minimum Problem. Because of its simple and explicit character, the new proof may provide the basis for an extension of Jacobi's Necessary Condition to the case of the trajectories with interior point constraints. Finally, the result that touch points cannot occur for first-order state inequality constraints is extended to the case of vector valued control functions.

Hysteresis, phase transitions, and dangerous transients in electrical power distribution systems

NASA Astrophysics Data System (ADS)

Duclut, Charlie; Backhaus, Scott; Chertkov, Michael

2013-06-01

The majority of dynamical studies in power systems focus on the high-voltage transmission grids where models consider large generators interacting with crude aggregations of individual small loads. However, new phenomena have been observed indicating that the spatial distribution of collective, nonlinear contribution of these small loads in the low-voltage distribution grid is crucial to the outcome of these dynamical transients. To elucidate the phenomenon, we study the dynamics of voltage and power flows in a spatially extended distribution feeder (circuit) connecting many asynchronous induction motors and discover that this relatively simple 1+1 (space+time) dimensional system exhibits a plethora of nontrivial spatiotemporal effects, some of which may be dangerous for power system stability. Long-range motor-motor interactions mediated by circuit voltage and electrical power flows result in coexistence and segregation of spatially extended phases defined by individual motor states, a “normal” state where the motors’ mechanical (rotation) frequency is slightly smaller than the nominal frequency of the basic ac flows and a “stalled” state where the mechanical frequency is small. Transitions between the two states can be initiated by a perturbation of the voltage or base frequency at the head of the distribution feeder. Such behavior is typical of first-order phase transitions in physics, and this 1+1 dimensional model shows many other properties of a first-order phase transition with the spatial distribution of the motors’ mechanical frequency playing the role of the order parameter. In particular, we observe (a) propagation of the phase-transition front with the constant speed (in very long feeders) and (b) hysteresis in transitions between the normal and stalled (or partially stalled) phases.

Computational fluid dynamics vs. inverse dynamics methods to determine passive drag in two breaststroke glide positions.

PubMed

Costa, L; Mantha, V R; Silva, A J; Fernandes, R J; Marinho, D A; Vilas-Boas, J P; Machado, L; Rouboa, A

2015-07-16

Computational fluid dynamics (CFD) plays an important role to quantify, understand and "observe" the water movements around the human body and its effects on drag (D). We aimed to investigate the flow effects around the swimmer and to compare the drag and drag coefficient (CD) values obtained from experiments (using cable velocimetry in a swimming pool) with those of CFD simulations for the two ventral gliding positions assumed during the breaststroke underwater cycle (with shoulders flexed and upper limbs extended above the head-GP1; with shoulders in neutral position and upper limbs extended along the trunk-GP2). Six well-trained breaststroke male swimmers (with reasonable homogeneity of body characteristics) participated in the experimental tests; afterwards a 3D swimmer model was created to fit within the limits of the sample body size profile. The standard k-ε turbulent model was used to simulate the fluid flow around the swimmer model. Velocity ranged from 1.30 to 1.70 m/s for GP1 and 1.10 to 1.50 m/s for GP2. Values found for GP1 and GP2 were lower for CFD than experimental ones. Nevertheless, both CFD and experimental drag/drag coefficient values displayed a tendency to jointly increase/decrease with velocity, except for GP2 CD where CFD and experimental values display opposite tendencies. Results suggest that CFD values obtained by single model approaches should be considered with caution due to small body shape and dimension differences to real swimmers. For better accuracy of CFD studies, realistic individual 3D models of swimmers are required, and specific kinematics respected. Copyright © 2015 Elsevier Ltd. All rights reserved.

High order entropy conservative central schemes for wide ranges of compressible gas dynamics and MHD flows

NASA Astrophysics Data System (ADS)

Sjögreen, Björn; Yee, H. C.

2018-07-01

The Sjogreen and Yee [31] high order entropy conservative numerical method for compressible gas dynamics is extended to include discontinuities and also extended to equations of ideal magnetohydrodynamics (MHD). The basic idea is based on Tadmor's [40] original work for inviscid perfect gas flows. For the MHD four formulations of the MHD are considered: (a) the conservative MHD, (b) the Godunov [14] non-conservative form, (c) the Janhunen [19] - MHD with magnetic field source terms, and (d) a MHD with source terms by Brackbill and Barnes [5]. Three forms of the high order entropy numerical fluxes for the MHD in the finite difference framework are constructed. They are based on the extension of the low order form of Chandrashekar and Klingenberg [9], and two forms with modifications of the Winters and Gassner [49] numerical fluxes. For flows containing discontinuities and multiscale turbulence fluctuations the high order entropy conservative numerical fluxes as the new base scheme under the Yee and Sjogreen [31] and Kotov et al. [21,22] high order nonlinear filter approach is developed. The added nonlinear filter step on the high order centered entropy conservative spatial base scheme is only utilized at isolated computational regions, while maintaining high accuracy almost everywhere for long time integration of unsteady flows and DNS and LES of turbulence computations. Representative test cases for both smooth flows and problems containing discontinuities for the gas dynamics and the ideal MHD are included. The results illustrate the improved stability by using the high order entropy conservative numerical flux as the base scheme instead of the pure high order central scheme.

Hysteresis, phase transitions, and dangerous transients in electrical power distribution systems.

PubMed

Duclut, Charlie; Backhaus, Scott; Chertkov, Michael

2013-06-01

The majority of dynamical studies in power systems focus on the high-voltage transmission grids where models consider large generators interacting with crude aggregations of individual small loads. However, new phenomena have been observed indicating that the spatial distribution of collective, nonlinear contribution of these small loads in the low-voltage distribution grid is crucial to the outcome of these dynamical transients. To elucidate the phenomenon, we study the dynamics of voltage and power flows in a spatially extended distribution feeder (circuit) connecting many asynchronous induction motors and discover that this relatively simple 1+1 (space+time) dimensional system exhibits a plethora of nontrivial spatiotemporal effects, some of which may be dangerous for power system stability. Long-range motor-motor interactions mediated by circuit voltage and electrical power flows result in coexistence and segregation of spatially extended phases defined by individual motor states, a "normal" state where the motors' mechanical (rotation) frequency is slightly smaller than the nominal frequency of the basic ac flows and a "stalled" state where the mechanical frequency is small. Transitions between the two states can be initiated by a perturbation of the voltage or base frequency at the head of the distribution feeder. Such behavior is typical of first-order phase transitions in physics, and this 1+1 dimensional model shows many other properties of a first-order phase transition with the spatial distribution of the motors' mechanical frequency playing the role of the order parameter. In particular, we observe (a) propagation of the phase-transition front with the constant speed (in very long feeders) and (b) hysteresis in transitions between the normal and stalled (or partially stalled) phases.

Method and system for training dynamic nonlinear adaptive filters which have embedded memory

NASA Technical Reports Server (NTRS)

Rabinowitz, Matthew (Inventor)

2002-01-01

Described herein is a method and system for training nonlinear adaptive filters (or neural networks) which have embedded memory. Such memory can arise in a multi-layer finite impulse response (FIR) architecture, or an infinite impulse response (IIR) architecture. We focus on filter architectures with separate linear dynamic components and static nonlinear components. Such filters can be structured so as to restrict their degrees of computational freedom based on a priori knowledge about the dynamic operation to be emulated. The method is detailed for an FIR architecture which consists of linear FIR filters together with nonlinear generalized single layer subnets. For the IIR case, we extend the methodology to a general nonlinear architecture which uses feedback. For these dynamic architectures, we describe how one can apply optimization techniques which make updates closer to the Newton direction than those of a steepest descent method, such as backpropagation. We detail a novel adaptive modified Gauss-Newton optimization technique, which uses an adaptive learning rate to determine both the magnitude and direction of update steps. For a wide range of adaptive filtering applications, the new training algorithm converges faster and to a smaller value of cost than both steepest-descent methods such as backpropagation-through-time, and standard quasi-Newton methods. We apply the algorithm to modeling the inverse of a nonlinear dynamic tracking system 5, as well as a nonlinear amplifier 6.

A molecular dynamics study of ethanol-water hydrogen bonding in binary structure I clathrate hydrate with CO2

NASA Astrophysics Data System (ADS)

Alavi, Saman; Ohmura, Ryo; Ripmeester, John A.

2011-02-01

Guest-host hydrogen bonding in clathrate hydrates occurs when in addition to the hydrophilic moiety which causes the molecule to form hydrates under high pressure-low temperature conditions, the guests contain a hydrophilic, hydrogen bonding functional group. In the presence of carbon dioxide, ethanol clathrate hydrate has been synthesized with 10% of large structure I (sI) cages occupied by ethanol. In this work, we use molecular dynamics simulations to study hydrogen bonding structure and dynamics in this binary sI clathrate hydrate in the temperature range of 100-250 K. We observe that ethanol forms long-lived (>500 ps) proton-donating and accepting hydrogen bonds with cage water molecules from both hexagonal and pentagonal faces of the large cages while maintaining the general cage integrity of the sI clathrate hydrate. The presence of the nondipolar CO2 molecules stabilizes the hydrate phase, despite the strong and prevalent alcohol-water hydrogen bonding. The distortions of the large cages from the ideal form, the radial distribution functions of the guest-host interactions, and the ethanol guest dynamics are characterized in this study. In previous work through dielectric and NMR relaxation time studies, single crystal x-ray diffraction, and molecular dynamics simulations we have observed guest-water hydrogen bonding in structure II and structure H clathrate hydrates. The present work extends the observation of hydrogen bonding to structure I hydrates.

The experimental identification of magnetorheological dampers and evaluation of their controllers

NASA Astrophysics Data System (ADS)

Metered, H.; Bonello, P.; Oyadiji, S. O.

2010-05-01

Magnetorheological (MR) fluid dampers are semi-active control devices that have been applied over a wide range of practical vibration control applications. This paper concerns the experimental identification of the dynamic behaviour of an MR damper and the use of the identified parameters in the control of such a damper. Feed-forward and recurrent neural networks are used to model both the direct and inverse dynamics of the damper. Training and validation of the proposed neural networks are achieved by using the data generated through dynamic tests with the damper mounted on a tensile testing machine. The validation test results clearly show that the proposed neural networks can reliably represent both the direct and inverse dynamic behaviours of an MR damper. The effect of the cylinder's surface temperature on both the direct and inverse dynamics of the damper is studied, and the neural network model is shown to be reasonably robust against significant temperature variation. The inverse recurrent neural network model is introduced as a damper controller and experimentally evaluated against alternative controllers proposed in the literature. The results reveal that the neural-based damper controller offers superior damper control. This observation and the added advantages of low-power requirement, extended service life of the damper and the minimal use of sensors, indicate that a neural-based damper controller potentially offers the most cost-effective vibration control solution among the controllers investigated.

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

NASA Astrophysics Data System (ADS)

Pavia, F.; Curtin, W. A.

2015-07-01

Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing framework for executing large multiscale studies that couple an atomic domain, modeled using molecular dynamics and a continuum domain, modeled using explicit finite elements. We use the robust Coupled Atomistic/Discrete-Dislocation (CADD) displacement-coupling method, but without the transfer of dislocations between atoms and continuum. The main purpose of the work is to provide a multiscale implementation within an existing large-scale parallel molecular dynamics code (LAMMPS) that enables use of all the tools associated with this popular open-source code, while extending CADD-type coupling to 3D. Validation of the implementation includes the demonstration of (i) stability in finite-temperature dynamics using Langevin dynamics, (ii) elimination of wave reflections due to large dynamic events occurring in the MD region and (iii) the absence of spurious forces acting on dislocations due to the MD/FE coupling, for dislocations further than 10 Å from the coupling boundary. A first non-trivial example application of dislocation glide and bowing around obstacles is shown, for dislocation lengths of ∼50 nm using fewer than 1 000 000 atoms but reproducing results of extremely large atomistic simulations at much lower computational cost.

EC-QCL mid-IR transmission spectroscopy for monitoring dynamic changes of protein secondary structure in aqueous solution on the example of β-aggregation in alcohol-denaturated α-chymotrypsin.

PubMed

Alcaráz, Mirta R; Schwaighofer, Andreas; Goicoechea, Héctor; Lendl, Bernhard

2016-06-01

In this work, a novel EC-QCL-based setup for mid-IR transmission measurements in the amide I region is introduced for monitoring dynamic changes in secondary structure of proteins. For this purpose, α-chymotrypsin (aCT) acts as a model protein, which gradually forms intermolecular β-sheet aggregates after adopting a non-native α-helical structure induced by exposure to 50 % TFE. In order to showcase the versatility of the presented setup, the effects of varying pH values and protein concentration on the rate of β-aggregation were studied. The influence of the pH value on the initial reaction rate was studied in the range of pH 5.8-8.2. Results indicate an increased aggregation rate at elevated pH values. Furthermore, the widely accessible concentration range of the laser-based IR transmission setup was utilized to investigate β-aggregation across a concentration range of 5-60 mg mL(-1). For concentrations lower than 20 mg mL(-1), the aggregation rate appears to be independent of concentration. At higher values, the reaction rate increases linearly with protein concentration. Extended MCR-ALS was employed to obtain pure spectral and concentration profiles of the temporal transition between α-helices and intermolecular β-sheets. Comparison of the global solutions obtained by the modelled data with results acquired by the laser-based IR transmission setup at different conditions shows excellent agreement. This demonstrates the potential and versatility of the EC-QCL-based IR transmission setup to monitor dynamic changes of protein secondary structure in aqueous solution at varying conditions and across a wide concentration range. Graphical abstract EC-QCL IR spectroscopy for monitoring protein conformation change.

Application of the Virtual Fields Method to a relaxation behaviour of rubbers

NASA Astrophysics Data System (ADS)

Yoon, Sung-ho; Siviour, Clive R.

2018-07-01

This paper presents the application of the Virtual Fields Method (VFM) for the characterization of viscoelastic behaviour of rubbers. The relaxation behaviour of the rubbers following a dynamic loading event is characterized using the dynamic VFM in which full-field (two dimensional) strain and acceleration data, obtained from high-speed imaging, are analysed by the principle of virtual work without traction force data, instead using the acceleration fields in the specimen to provide stress information. Two (silicone and nitrile) rubbers were tested in tension using a drop-weight apparatus. It is assumed that the dynamic behaviour is described by the combination of hyperelastic and Prony series models. A VFM based procedure is designed and used to produce the identification of the modulus term of a hyperelastic model and the Prony series parameters within a time scale determined by two experimental factors: imaging speed and loading duration. Then, the time range of the data is extended using experiments at different temperatures combined with the time-temperature superposition principle. Prior to these experimental analyses, finite element simulations were performed to validate the application of the proposed VFM analysis. Therefore, for the first time, it has been possible to identify relaxation behaviour of a material following dynamic loading, using a technique that can be applied to both small and large deformations.

A Versatile Nonlinear Method for Predictive Modeling

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Yao, Weigang

2015-01-01

As computational fluid dynamics techniques and tools become widely accepted for realworld practice today, it is intriguing to ask: what areas can it be utilized to its potential in the future. Some promising areas include design optimization and exploration of fluid dynamics phenomena (the concept of numerical wind tunnel), in which both have the common feature where some parameters are varied repeatedly and the computation can be costly. We are especially interested in the need for an accurate and efficient approach for handling these applications: (1) capturing complex nonlinear dynamics inherent in a system under consideration and (2) versatility (robustness) to encompass a range of parametric variations. In our previous paper, we proposed to use first-order Taylor expansion collected at numerous sampling points along a trajectory and assembled together via nonlinear weighting functions. The validity and performance of this approach was demonstrated for a number of problems with a vastly different input functions. In this study, we are especially interested in enhancing the method's accuracy; we extend it to include the second-orer Taylor expansion, which however requires a complicated evaluation of Hessian matrices for a system of equations, like in fluid dynamics. We propose a method to avoid these Hessian matrices, while maintaining the accuracy. Results based on the method are presented to confirm its validity.

Extending the Host Range of Bacteriophage Particles for DNA Transduction.

PubMed

Yosef, Ido; Goren, Moran G; Globus, Rea; Molshanski-Mor, Shahar; Qimron, Udi

2017-06-01

A major limitation in using bacteriophage-based applications is their narrow host range. Approaches for extending the host range have focused primarily on lytic phages in hosts supporting their propagation rather than approaches for extending the ability of DNA transduction into phage-restrictive hosts. To extend the host range of T7 phage for DNA transduction, we have designed hybrid particles displaying various phage tail/tail fiber proteins. These modular particles were programmed to package and transduce DNA into hosts that restrict T7 phage propagation. We have also developed an innovative generalizable platform that considerably enhances DNA transfer into new hosts by artificially selecting tails that efficiently transduce DNA. In addition, we have demonstrated that the hybrid particles transduce desired DNA into desired hosts. This study thus critically extends and improves the ability of the particles to transduce DNA into novel phage-restrictive hosts, providing a platform for myriad applications that require this ability. Copyright © 2017 Elsevier Inc. All rights reserved.

Polarizable Force Fields and Polarizable Continuum Model: A Fluctuating Charges/PCM Approach. 1. Theory and Implementation.

PubMed

Lipparini, Filippo; Barone, Vincenzo

2011-11-08

We present a combined fluctuating charges-polarizable continuum model approach to describe molecules in solution. Both static and dynamic approaches are discussed: analytical first and second derivatives are shown as well as an extended lagrangian for molecular dynamics simluations. In particular, we use the polarizable continuum model to provide nonperiodic boundary conditions for molecular dynamics simulations of aqueous solutions. The extended lagrangian method is extensively discussed, with specific reference to the fluctuating charge model, from a numerical point of view by means of several examples, and a rationalization of the behavior found is presented. Several prototypical applications are shown, especially regarding solvation of ions and polar molecules in water.

Transition Pathway and Its Free-Energy Profile: A Protocol for Protein Folding Simulations

PubMed Central

Lee, In-Ho; Kim, Seung-Yeon; Lee, Jooyoung

2013-01-01

We propose a protocol that provides a systematic definition of reaction coordinate and related free-energy profile as the function of temperature for the protein-folding simulation. First, using action-derived molecular dynamics (ADMD), we investigate the dynamic folding pathway model of a protein between a fixed extended conformation and a compact conformation. We choose the pathway model to be the reaction coordinate, and the folding and unfolding processes are characterized by the ADMD step index, in contrast to the common a priori reaction coordinate as used in conventional studies. Second, we calculate free-energy profile as the function of temperature, by employing the replica-exchange molecular dynamics (REMD) method. The current method provides efficient exploration of conformational space and proper characterization of protein folding/unfolding dynamics from/to an arbitrary extended conformation. We demonstrate that combination of the two simulation methods, ADMD and REMD, provides understanding on molecular conformational changes in proteins. The protocol is tested on a small protein, penta-peptide of met-enkephalin. For the neuropeptide met-enkephalin system, folded, extended, and intermediate sates are well-defined through the free-energy profile over the reaction coordinate. Results are consistent with those in the literature. PMID:23917881

An extended patch-dynamic framework for food chains in fragmented landscapes

PubMed Central

Liao, Jinbao; Chen, Jiehong; Ying, Zhixia; Hiebeler, David E.; Nijs, Ivan

2016-01-01

Habitat destruction, a key determinant of species loss, can be characterized by two components, patch loss and patch fragmentation, where the former refers to the reduction in patch availability, and the latter to the division of the remaining patches. Classical metacommunity models have recently explored how food web dynamics respond to patch loss, but the effects of patch fragmentation have largely been overlooked. Here we develop an extended patch-dynamic model that tracks the patch occupancy of the various trophic links subject to colonization-extinction-predation dynamics by incorporating species dispersal with patch connectivity. We found that, in a simple food chain, species at higher trophic level become extinct sooner with increasing patch loss and fragmentation due to the constraint in resource availability, confirming the trophic rank hypothesis. Yet, effects of fragmentation on species occupancy are largely determined by patch loss, with maximal fragmentation effects occurring at intermediate patch loss. Compared to the spatially explicit simulations that we also performed, the current model with pair approximation generates similar community patterns especially in spatially clustered landscapes. Overall, our extended framework can be applied to model more complex food webs in fragmented landscapes, broadening the scope of existing metacommunity theory. PMID:27608823

Vigorous atmospheric motion in the red supergiant star Antares.

PubMed

Ohnaka, K; Weigelt, G; Hofmann, K-H

2017-08-16

Red supergiant stars represent a late stage of the evolution of stars more massive than about nine solar masses, in which they develop complex, multi-component atmospheres. Bright spots have been detected in the atmosphere of red supergiants using interferometric imaging. Above the photosphere of a red supergiant, the molecular outer atmosphere extends up to about two stellar radii. Furthermore, the hot chromosphere (5,000 to 8,000 kelvin) and cool gas (less than 3,500 kelvin) of a red supergiant coexist at about three stellar radii. The dynamics of such complex atmospheres has been probed by ultraviolet and optical spectroscopy. The most direct approach, however, is to measure the velocity of gas at each position over the image of stars as in observations of the Sun. Here we report the mapping of the velocity field over the surface and atmosphere of the nearby red supergiant Antares. The two-dimensional velocity field map obtained from our near-infrared spectro-interferometric imaging reveals vigorous upwelling and downdrafting motions of several huge gas clumps at velocities ranging from about -20 to +20 kilometres per second in the atmosphere, which extends out to about 1.7 stellar radii. Convection alone cannot explain the observed turbulent motions and atmospheric extension, suggesting that an unidentified process is operating in the extended atmosphere.