Wiggler plane focusing in a linear free electron laser

DOEpatents

Scharlemann, E.T.

1985-11-21

This disclosure describes a free electron laser apparatus that provides a magnetic centering force to turn or focus a non-axial electron toward the longitudinal axis as desired. The focusing effect is provided by wiggler magnet pole faces that are approximately parabolically shaped.

Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

NASA Astrophysics Data System (ADS)

Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay

2017-05-01

The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections at the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.

Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

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

Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay

The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections atmore » the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.« less

Translocation Thermodynamics of Linear and Cyclic Nonaarginine into Model DPPC Bilayer via Coarse-Grained Molecular Dynamics Simulation: Implications of Pore Formation and Nonadditivity

PubMed Central

2015-01-01

Structural mechanisms and underlying thermodynamic determinants of efficient internalization of charged cationic peptides (cell-penetrating peptides, CPPs) such as TAT, polyarginine, and their variants, into cells, cellular constructs, and model membrane/lipid bilayers (large and giant unilamellar or multilamelar vesicles) continue to garner significant attention. Two widely held views on the translocation mechanism center on endocytotic and nonendocytotic (diffusive) processes. Espousing the view of a purely diffusive internalization process (supported by recent experimental evidence, [Säälik, P.; et al. J. Controlled Release2011, 153, 117–125]), we consider the underlying free energetics of the translocation of a nonaarginine peptide (Arg9) into a model DPPC bilayer. In the case of the Arg9 cationic peptide, recent experiments indicate a higher internalization efficiency of the cyclic structure (cyclic Arg9) relative to the linear conformer. Furthermore, recent all-atom resolution molecular dynamics simulations of cyclic Arg9 [Huang, K.; et al. Biophys. J., 2013, 104, 412–420] suggested a critical stabilizing role of water- and lipid-constituted pores that form within the bilayer as the charged Arg9 translocates deep into the bilayer center. Herein, we use umbrella sampling molecular dynamics simulations with coarse-grained Martini lipids, polarizable coarse-grained water, and peptide to explore the dependence of translocation free energetics on peptide structure and conformation via calculation of potentials of mean force along preselected reaction paths allowing and preventing membrane deformations that lead to pore formation. Within the context of the coarse-grained force fields we employ, we observe significant barriers for Arg9 translocation from bulk aqueous solution to bilayer center. Moreover, we do not find free-energy minima in the headgroup–water interfacial region, as observed in simulations using all-atom force fields. The pore-forming paths systematically predict lower free-energy barriers (ca. 90 kJ/mol lower) than the non pore-forming paths, again consistent with all-atom force field simulations. The current force field suggests no preference for the more compact or covalently cyclic structures upon entering the bilayer. Decomposition of the PMF into the system’s components indicates that the dominant stabilizing contribution along the pore-forming path originates from the membrane as both layers of it deformed due to the formation of pore. Furthermore, our analysis revealed that although there is significant entropic stabilization arising from the enhanced configurational entropy exposing more states as the peptide moves through the bilayer, the enthalpic loss (as predicted by the interactions of this coarse-grained model) far outweighs any former stabilization, thus leading to significant barrier to translocation. Finally, we observe reduction in the translocation free-energy barrier for a second Arg9 entering the bilayer in the presence of an initial peptide restrained at the center, again, in qualitative agreement with all-atom force fields. PMID:24506488

Magnetospheric Multiscale Mission Observations and Non-Force Free Modeling of a Flux Transfer Event Immersed in a Super-Alfvenic Flow

NASA Technical Reports Server (NTRS)

Farrugia, C. J.; Lavraud, B.; Torbert, R. B.; Argall, M.; Kacem, I.; Yu, W.; Alm, L.; Burch, J.; Russell, C. T.; Shuster, J.;

Multi-wavelength Observations and Modeling of Solar Flares: Magnetic Structures

NASA Astrophysics Data System (ADS)

Su, Y.

2017-12-01

We present a review of our recent investigations on multi-wavelength observations and magnetic field modeling of solar flares. High-resolution observations taken by NVST and BBSO/NST reveal unprecedented fine structures of the flaring regions. Observations by SDO, IRIS, and GOES provide the complementary information. The magnetic field models are constructed using either non-linear force free field extrapolations or flux rope insertion method. Our studies have shown that the flaring regions often consist of double or multiple flux ropes, which often exist at different heights. The fine flare ribbon structures may be due to the magnetic reconnection in the complex quasi separatrix layers. The magnetic field modeling of several large flares suggests that the so called hot-channel structure is corresponding to the erupting flux rope above the X-point in a magnetic configuration with Hyperbolic Flux Tube.

Chaos as an intermittently forced linear system.

PubMed

Brunton, Steven L; Brunton, Bingni W; Proctor, Joshua L; Kaiser, Eurika; Kutz, J Nathan

2017-05-30

Understanding the interplay of order and disorder in chaos is a central challenge in modern quantitative science. Approximate linear representations of nonlinear dynamics have long been sought, driving considerable interest in Koopman theory. We present a universal, data-driven decomposition of chaos as an intermittently forced linear system. This work combines delay embedding and Koopman theory to decompose chaotic dynamics into a linear model in the leading delay coordinates with forcing by low-energy delay coordinates; this is called the Hankel alternative view of Koopman (HAVOK) analysis. This analysis is applied to the Lorenz system and real-world examples including Earth's magnetic field reversal and measles outbreaks. In each case, forcing statistics are non-Gaussian, with long tails corresponding to rare intermittent forcing that precedes switching and bursting phenomena. The forcing activity demarcates coherent phase space regions where the dynamics are approximately linear from those that are strongly nonlinear.The huge amount of data generated in fields like neuroscience or finance calls for effective strategies that mine data to reveal underlying dynamics. Here Brunton et al.develop a data-driven technique to analyze chaotic systems and predict their dynamics in terms of a forced linear model.

Non-Maxwellian and magnetic field effects in complex plasma wakes★

NASA Astrophysics Data System (ADS)

Ludwig, Patrick; Jung, Hendrik; Kählert, Hanno; Joost, Jan-Philip; Greiner, Franko; Moldabekov, Zhandos; Carstensen, Jan; Sundar, Sita; Bonitz, Michael; Piel, Alexander

2018-05-01

In a streaming plasma, negatively charged dust particles create complex charge distributions on the downstream side of the particle, which are responsible for attractive forces between the like-charged particles. This wake phenomenon is studied by means of refined linear response theory and molecular dynamics simulations as well as in experiments. Particular attention is paid to non-Maxwellian velocity distributions that are found in the plasma sheath and to situations with strong magnetic fields, which are becoming increasingly important. Non-Maxwellian distributions and strong magnetic fields result in a substantial damping of the oscillatory wake potential. The interaction force in particle pairs is explored with the phase-resolved resonance method, which demonstrates the non-reciprocity of the interparticle forces in unmagnetized and magnetized systems.

Receptivity of a precessing vortex core to open-loop forcing in a swirling jet and its predictability by linear stability adjoint theory

NASA Astrophysics Data System (ADS)

Müller, Jens; Lückoff, Finn; Oberleithner, Kilian

2017-11-01

The precessing vortex core (PVC) is a dominant coherent structure which occurs in swirling jets such as in swirl-stabilised gas turbine combustors. It stems from a global hydrodynamic instability caused by an internal feedback mechanism within the jet core. In this work, open-loop forcing is applied to a generic non-reacting swirling jet to investigate its receptivity to external actuation regarding lock-in behaviour of the PVC for different streamwise positions and Reynolds numbers. The forcing is periodically exerted by zero net mass flux synthetic jets which are introduced radially through slits inside the duct walls upstream of the swirling jet's exit plane. Time-resolved pressure measurements are conducted to identify the PVC frequency and stereo PIV combined with proper orthogonal decomposition in the duct and free field is used to extract the mean flow and the PVC mode. The data is used in a global linear stability framework to gain the adjoint of the PVC which reveals the regions of highest receptivity to periodic forcing based on mean flow input only. This theoretical receptivity model is compared with the experimentally obtained receptivity results and the validity and applicability of the adjoint model for the prediction of optimal forcing positions is discussed.

Non-linear analysis of wave progagation using transform methods and plates and shells using integral equations

NASA Astrophysics Data System (ADS)

Pipkins, Daniel Scott

Two diverse topics of relevance in modern computational mechanics are treated. The first involves the modeling of linear and non-linear wave propagation in flexible, lattice structures. The technique used combines the Laplace Transform with the Finite Element Method (FEM). The procedure is to transform the governing differential equations and boundary conditions into the transform domain where the FEM formulation is carried out. For linear problems, the transformed differential equations can be solved exactly, hence the method is exact. As a result, each member of the lattice structure is modeled using only one element. In the non-linear problem, the method is no longer exact. The approximation introduced is a spatial discretization of the transformed non-linear terms. The non-linear terms are represented in the transform domain by making use of the complex convolution theorem. A weak formulation of the resulting transformed non-linear equations yields a set of element level matrix equations. The trial and test functions used in the weak formulation correspond to the exact solution of the linear part of the transformed governing differential equation. Numerical results are presented for both linear and non-linear systems. The linear systems modeled are longitudinal and torsional rods and Bernoulli-Euler and Timoshenko beams. For non-linear systems, a viscoelastic rod and Von Karman type beam are modeled. The second topic is the analysis of plates and shallow shells under-going finite deflections by the Field/Boundary Element Method. Numerical results are presented for two plate problems. The first is the bifurcation problem associated with a square plate having free boundaries which is loaded by four, self equilibrating corner forces. The results are compared to two existing numerical solutions of the problem which differ substantially.

A Magnetohydrodynamic Simulation of Magnetic Null-point Reconnections in NOAA AR 12192, Initiated with an Extrapolated Non-force-free Field

NASA Astrophysics Data System (ADS)

Prasad, A.; Bhattacharyya, R.; Hu, Qiang; Kumar, Sanjay; Nayak, Sushree S.

2018-06-01

The magnetohydrodynamics of the solar corona is simulated numerically. The simulation is initialized with an extrapolated non-force-free magnetic field using the vector magnetogram of the active region NOAA 12192, which was obtained from the solar photosphere. Particularly, we focus on the magnetic reconnections (MRs) occurring close to a magnetic null point that resulted in the appearance of circular chromospheric flare ribbons on 2014 October 24 around 21:21 UT, after the peak of an X3.1 flare. The extrapolated field lines show the presence of the three-dimensional (3D) null near one of the polarity-inversion lines—where the flare was observed. In the subsequent numerical simulation, we find MRs occurring near the null point, where the magnetic field lines from the fan plane of the 3D null form a X-type configuration with underlying arcade field lines. The footpoints of the dome-shaped field lines, inherent to the 3D null, show high gradients of the squashing factor. We find slipping reconnections at these quasi-separatrix layers, which are co-located with the post-flare circular brightening observed at chromospheric heights. This demonstrates the viability of the initial non-force-free field, along with the dynamics it initiates. Moreover, the initial field and its simulated evolution are found to be devoid of any flux rope, which is congruent with the confined nature of the flare.

SUNSPOT ROTATION AS A DRIVER OF MAJOR SOLAR ERUPTIONS IN THE NOAA ACTIVE REGION 12158

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

Vemareddy, P.; Ravindra, B.; Cheng, X., E-mail: vemareddy@iiap.res.in

We studied the development conditions of sigmoid structure under the influence of the magnetic non-potential characteristics of a rotating sunspot in the active region (AR) 12158. Vector magnetic field measurements from the Helioseismic Magnetic Imager and coronal EUV observations from the Atmospheric Imaging Assembly reveal that the erupting inverse-S sigmoid had roots at the location of the rotating sunspot. The sunspot rotates at a rate of 0°–5° h{sup −1} with increasing trend in the first half followed by a decrease. The time evolution of many non-potential parameters had a good correspondence with the sunspot rotation. The evolution of the ARmore » magnetic structure is approximated by a time series of force-free equilibria. The non-linear force-free field magnetic structure around the sunspot manifests the observed sigmoid structure. Field lines from the sunspot periphery constitute the body of the sigmoid and those from the interior overlie the sigmoid, similar to a flux rope structure. While the sunspot was rotating, two major coronal mass ejection eruptions occurred in the AR. During the first (second) event, the coronal current concentrations were enhanced (degraded), consistent with the photospheric net vertical current; however, magnetic energy was released during both cases. The analysis results suggest that the magnetic connections of the sigmoid are driven by the slow motion of sunspot rotation, which transforms to a highly twisted flux rope structure in a dynamical scenario. Exceeding the critical twist in the flux rope probably leads to the loss of equilibrium, thus triggering the onset of the two eruptions.« less

Estimating cosmic velocity fields from density fields and tidal tensors

NASA Astrophysics Data System (ADS)

Kitaura, Francisco-Shu; Angulo, Raul E.; Hoffman, Yehuda; Gottlöber, Stefan

2012-10-01

In this work we investigate the non-linear and non-local relation between cosmological density and peculiar velocity fields. Our goal is to provide an algorithm for the reconstruction of the non-linear velocity field from the fully non-linear density. We find that including the gravitational tidal field tensor using second-order Lagrangian perturbation theory based upon an estimate of the linear component of the non-linear density field significantly improves the estimate of the cosmic flow in comparison to linear theory not only in the low density, but also and more dramatically in the high-density regions. In particular we test two estimates of the linear component: the lognormal model and the iterative Lagrangian linearization. The present approach relies on a rigorous higher order Lagrangian perturbation theory analysis which incorporates a non-local relation. It does not require additional fitting from simulations being in this sense parameter free, it is independent of statistical-geometrical optimization and it is straightforward and efficient to compute. The method is demonstrated to yield an unbiased estimator of the velocity field on scales ≳5 h-1 Mpc with closely Gaussian distributed errors. Moreover, the statistics of the divergence of the peculiar velocity field is extremely well recovered showing a good agreement with the true one from N-body simulations. The typical errors of about 10 km s-1 (1σ confidence intervals) are reduced by more than 80 per cent with respect to linear theory in the scale range between 5 and 10 h-1 Mpc in high-density regions (δ > 2). We also find that iterative Lagrangian linearization is significantly superior in the low-density regime with respect to the lognormal model.

Electro-Optical Sensing Apparatus and Method for Characterizing Free-Space Electromagnetic Radiation

DOEpatents

Zhang, Xi-Cheng; Libelo, Louis Francis; Wu, Qi

1999-09-14

Apparatus and methods for characterizing free-space electromagnetic energy, and in particular, apparatus/method suitable for real-time two-dimensional far-infrared imaging applications are presented. The sensing technique is based on a non-linear coupling between a low-frequency electric field and a laser beam in an electro-optic crystal. In addition to a practical counter-propagating sensing technique, a co-linear approach is described which provides longer radiated field--optical beam interaction length, thereby making imaging applications practical.

Can we explain atypical solar flares?

NASA Astrophysics Data System (ADS)

Dalmasse, K.; Chandra, R.; Schmieder, B.; Aulanier, G.

2015-02-01

Context. We used multiwavelength high-resolution data from ARIES, THEMIS, and SDO instruments to analyze a non-standard, C3.3 class flare produced within the active region NOAA 11589 on 2012 October 16. Magnetic flux emergence and cancellation were continuously detected within the active region, the latter leading to the formation of two filaments. Aims: Our aim is to identify the origins of the flare taking the complex dynamics of its close surroundings into account. Methods: We analyzed the magnetic topology of the active region using a linear force-free field extrapolation to derive its 3D magnetic configuration and the location of quasi-separatrix layers (QSLs), which are preferred sites for flaring activity. Because the active region's magnetic field was nonlinear force-free, we completed a parametric study using different linear force-free field extrapolations to demonstrate the robustness of the derived QSLs. Results: The topological analysis shows that the active region presented a complex magnetic configuration comprising several QSLs. The considered data set suggests that an emerging flux episode played a key role in triggering the flare. The emerging flux probably activated the complex system of QSLs, leading to multiple coronal magnetic reconnections within the QSLs. This scenario accounts for the observed signatures: the two extended flare ribbons developed at locations matched by the photospheric footprints of the QSLs and were accompanied with flare loops that formed above the two filaments, which played no important role in the flare dynamics. Conclusions: This is a typical example of a complex flare that can a priori show standard flare signatures that are nevertheless impossible to interpret with any standard model of eruptive or confined flare. We find that a topological analysis, however, permitted us to unveil the development of such complex sets of flare signatures. Movies associated to Figs. 1, 3, and 9 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/574/A37

Baryonic Force for Accelerated Cosmic Expansion and Generalized U1b Gauge Symmetry in Particle-Cosmology

NASA Astrophysics Data System (ADS)

Khan, Mehbub; Hao, Yun; Hsu, Jong-Ping

2018-01-01

Based on baryon charge conservation and a generalized Yang-Mills symmetry for Abelian (and non-Abelian) groups, we discuss a new baryonic gauge field and its linear potential for two point-like baryon charges. The force between two point-like baryons is repulsive, extremely weak and independent of distance. However, for two extended baryonic systems, we have a dominant linear force α r. Thus, only in the later stage of the cosmic evolution, when two baryonic galaxies are separated by an extremely large distance, the new repulsive baryonic force can overcome the gravitational attractive force. Such a model provides a gauge-field-theoretic understanding of the late-time accelerated cosmic expansion. The baryonic force can be tested by measuring the accelerated Wu-Doppler frequency shifts of supernovae at different distances.

Three dimensional radiative flow of magnetite-nanofluid with homogeneous-heterogeneous reactions

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Rashid, Madiha; Alsaedi, Ahmed

2018-03-01

Present communication deals with the effects of homogeneous-heterogeneous reactions in flow of nanofluid by non-linear stretching sheet. Water based nanofluid containing magnetite nanoparticles is considered. Non-linear radiation and non-uniform heat sink/source effects are examined. Non-linear differential systems are computed by Optimal homotopy analysis method (OHAM). Convergent solutions of nonlinear systems are established. The optimal data of auxiliary variables is obtained. Impact of several non-dimensional parameters for velocity components, temperature and concentration fields are examined. Graphs are plotted for analysis of surface drag force and heat transfer rate.

Non-normal perturbation growth in idealised island and headland wakes

NASA Astrophysics Data System (ADS)

Aiken, C. M.; Moore, A. M.; Middleton, J. H.

2003-12-01

Generalised linear stability theory is used to calculate the linear perturbations that furnish most rapid growth in energy in a model of a steady recirculating island wake. This optimal peturbation is found to be antisymmetric and to evolve into a von Kármán vortex street. Eigenanalysis of the linearised system reveals that the eigenmodes corresponding to vortex sheet formation are damped, so the growth of the perturbation is understood through the non-normality of the linearised system. Qualitatively similar perturbation growth is shown to occur in a non-linear model of stochastically-forced subcritical flow, resulting in transition to an unsteady wake. Free-stream variability with amplitude 8% of the mean inflow speed sustains vortex street structures in the non-linear model with perturbation velocities the order of the inflow speed, suggesting that environmental stochastic forcing may similarly be capable of exciting growing disturbances in real island wakes. To support this, qualitatively similar perturbation growth is demonstrated in the straining wake of a realistic island obstacle. It is shown that for the case of an idealised headland, where the vortex street eigenmodes are lacking, vortex sheets are produced through a similar non-normal process.

Electro-optical and Magneto-optical Sensing Apparatus and Method for Characterizing Free-space Electromagnetic Radiation

DOEpatents

Zhang, Xi-Cheng; Riordan, Jenifer Ann; Sun, Feng-Guo

2000-08-29

Apparatus and methods for characterizing free-space electromagnetic energy, and in particular, apparatus/method suitable for real-time two-dimensional far-infrared imaging applications are presented. The sensing technique is based on a non-linear coupling between a low-frequency electric (or magnetic) field and a laser beam in an electro-optic (or magnetic-optic) crystal. In addition to a practical counter-propagating sensing technique, a co-linear approach is described which provides longer radiated field-optical beam interaction length, thereby making imaging applications practical.

Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning.

PubMed

Cole, Daniel J; Vilseck, Jonah Z; Tirado-Rives, Julian; Payne, Mike C; Jorgensen, William L

2016-05-10

Molecular mechanics force fields, which are commonly used in biomolecular modeling and computer-aided drug design, typically treat nonbonded interactions using a limited library of empirical parameters that are developed for small molecules. This approach does not account for polarization in larger molecules or proteins, and the parametrization process is labor-intensive. Using linear-scaling density functional theory and atoms-in-molecule electron density partitioning, environment-specific charges and Lennard-Jones parameters are derived directly from quantum mechanical calculations for use in biomolecular modeling of organic and biomolecular systems. The proposed methods significantly reduce the number of empirical parameters needed to construct molecular mechanics force fields, naturally include polarization effects in charge and Lennard-Jones parameters, and scale well to systems comprised of thousands of atoms, including proteins. The feasibility and benefits of this approach are demonstrated by computing free energies of hydration, properties of pure liquids, and the relative binding free energies of indole and benzofuran to the L99A mutant of T4 lysozyme.

Magnetospheric Multiscale Mission Examination of Stress Balance in FTE-Type Flux Ropes at the Earth's Magnetopause

NASA Astrophysics Data System (ADS)

Akhavan-Tafti, M.; Slavin, J. A.; Le, G.; Eastwood, J. P.; Strangeway, R. J.; Russell, C. T.; Nakamura, R.; Baumjohann, W.; Torbert, R. B.; Giles, B. L.; Gershman, D. J.; Burch, J. L.

2016-12-01

Determining the magnetic field structure, electric currents, and plasma distribution within flux transfer event (FTE)-type flux ropes is critical to the understanding of their origin, evolution, and dynamics. We analyze FTEs observed by the Magnetospheric Multiscale (MMS) mission in the vicinity of the sub-solar magnetopause, i.e. 12 ± 22.5' Local Time and XGSM > 7 RE. High-resolution data from the Fluxgate Magnetometer (FGM) and Fast Plasma Investigation (FPI) are used to determine and compare the extent to which large (> 1 RE) and small (ion scale) diameter FTEs are force-free, i.e. J×B=0, or non-force-free, i.e. J×B= gradP. Three independent methods are used: i) current density parallel and perpendicular to the magnetic field derived from the plasma measurements or magnetic field using the curlometer technique; ii) direct measurement of the plasma pressure gradient by FPI; and iii) fitting magnetic field to force-free (J=αB) flux rope models. Our initial results indicate that the plasma content of the ion-scale FTEs often exceeds that of larger FTEs. This results in higher plasma pressure gradients inside smaller FTEs and a magnetic field that is less force-free than the larger flux ropes.

Ion acoustic wave assisted laser beat wave terahertz generation in a plasma channel

NASA Astrophysics Data System (ADS)

Tyagi, Yachna; Tripathi, Deepak; Walia, Keshav; Garg, Deepak

2018-04-01

Resonant excitation of terahertz (THz) radiation by non-linear mixing of two lasers in the presence of an electrostatic wave is investigated. The electrostatic wave assists in k matching and contributes to non-linear coupling. In this plasma channel, the electron plasma frequency becomes minimum on the axis. The beat frequency ponderomotive force imparts an oscillating velocity to the electrons. In the presence of an ion-acoustic wave, density perturbation due to the ion-acoustic wave couples with the oscillating velocity of the electrons and give rise to non-linear current that gives rise to an ion-acoustic wave frequency assisted THz radiation field. The normalized field amplitude of ion acoustic wave assisted THz varies inversely for ω/ωp . The field amplitude of ion acoustic wave assisted THz decreases as ω/ωp increases.

An exact collisionless equilibrium for the Force-Free Harris Sheet with low plasma beta

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

Allanson, O., E-mail: oliver.allanson@st-andrews.ac.uk; Neukirch, T., E-mail: tn3@st-andrews.ac.uk; Wilson, F., E-mail: fw237@st-andrews.ac.uk

We present a first discussion and analysis of the physical properties of a new exact collisionless equilibrium for a one-dimensional nonlinear force-free magnetic field, namely, the force-free Harris sheet. The solution allows any value of the plasma beta, and crucially below unity, which previous nonlinear force-free collisionless equilibria could not. The distribution function involves infinite series of Hermite polynomials in the canonical momenta, of which the important mathematical properties of convergence and non-negativity have recently been proven. Plots of the distribution function are presented for the plasma beta modestly below unity, and we compare the shape of the distribution functionmore » in two of the velocity directions to a Maxwellian distribution.« less

Drag and Lift Forces Between a Rotating Conductive Sphere and a Cylindrical Magnet

NASA Technical Reports Server (NTRS)

Nurge, Mark A.; Youngquist, Robert C.

2017-01-01

Modeling the interaction between a non-uniform magnetic field and a rotating conductive object allows study of the drag force which is used in applications such as eddy current braking and linear induction motors as well as the transition to a repulsive force that is the basis for magnetic levitation systems. Here, we study the interaction between a non-uniform field generated by a cylindrical magnet and a rotating conductive sphere. Each eddy current in the sphere generates a magnetic field which in turn generates another eddy current, eventually feeding back on itself. A two step mathematics process is developed to find a closed form solution in terms of only two eddy currents. However, the complete solution requires decomposition of the magnetic field into a summation of spherical harmonics, making it more suitable for a graduate level electromagnetism lecture or lab. Finally, the forces associated with these currents are calculated and then verified experimentally.

Drag and lift forces between a rotating conductive sphere and a cylindrical magnet

NASA Astrophysics Data System (ADS)

Nurge, Mark A.; Youngquist, Robert C.; Starr, Stanley O.

2018-06-01

Modeling the interaction between a non-uniform magnetic field and a rotating conductive object provides insight into the drag force, which is used in applications such as eddy current braking and linear induction motors, as well as the transition to a repulsive force, which is the basis for magnetic levitation systems. Here, we study the interaction between a non-uniform field generated by a cylindrical magnet and a rotating conductive sphere. Each eddy current in the sphere generates a magnetic field which in turn generates another eddy current, eventually feeding back on itself. A two-step mathematical process is developed to find a closed-form solution in terms of only three eddy currents. However, the complete solution requires decomposition of the magnetic field into a summation of spherical harmonics, making it more suitable for a graduate-level electromagnetism lecture or lab. Finally, the forces associated with these currents are calculated and then verified experimentally.

Solar Magnetic Carpet III: Coronal Modelling of Synthetic Magnetograms

NASA Astrophysics Data System (ADS)

Meyer, K. A.; Mackay, D. H.; van Ballegooijen, A. A.; Parnell, C. E.

2013-09-01

This article is the third in a series working towards the construction of a realistic, evolving, non-linear force-free coronal-field model for the solar magnetic carpet. Here, we present preliminary results of 3D time-dependent simulations of the small-scale coronal field of the magnetic carpet. Four simulations are considered, each with the same evolving photospheric boundary condition: a 48-hour time series of synthetic magnetograms produced from the model of Meyer et al. ( Solar Phys. 272, 29, 2011). Three simulations include a uniform, overlying coronal magnetic field of differing strength, the fourth simulation includes no overlying field. The build-up, storage, and dissipation of magnetic energy within the simulations is studied. In particular, we study their dependence upon the evolution of the photospheric magnetic field and the strength of the overlying coronal field. We also consider where energy is stored and dissipated within the coronal field. The free magnetic energy built up is found to be more than sufficient to power small-scale, transient phenomena such as nanoflares and X-ray bright points, with the bulk of the free energy found to be stored low down, between 0.5 - 0.8 Mm. The energy dissipated is currently found to be too small to account for the heating of the entire quiet-Sun corona. However, the form and location of energy-dissipation regions qualitatively agree with what is observed on small scales on the Sun. Future MHD modelling using the same synthetic magnetograms may lead to a higher energy release.

Vertical Distribution of Radiation Stress for Non-linear Shoaling Waves

NASA Astrophysics Data System (ADS)

Webb, B. M.; Slinn, D. N.

2004-12-01

The flux of momentum directed shoreward by an incident wave field, commonly referred to as the radiation stress, plays a significant role in nearshore circulation and, therefore, has a profound impact on the transport of pollutants, biota, and sediment in nearshore systems. Having received much attention since the seminal work of Longuet-Higgins and Stewart in the early 1960's, use of the radiation stress concept continues to be refined and evidence of its utility is widespread in literature pertaining to coastal and ocean science. A number of investigations, both numerical and analytical in nature, have used the concept of the radiation stress to derive appropriate forcing mechanisms that initiate cross-shore and longshore circulation, but typically in a depth-averaged sense due to a lack of information concerning the vertical distribution of the wave stresses. While depth-averaged nearshore circulation models are still widely used today, advancements in technology have permitted the adaptation of three-dimensional (3D) modeling techniques to study flow properties of complex nearshore circulation systems. It has been shown that the resulting circulation in these 3D models is very sensitive to the vertical distribution of the nearshore forcing, which have often been implemented as either depth-uniform or depth-linear distributions. Recently, analytical expressions describing the vertical structure of radiation stress components have appeared in the literature (see Mellor, 2003; Xia et al., 2004) but do not fully describe the magnitude and structure in the region bound by the trough and crest of non-linear, propagating waves. Utilizing a three-dimensional, non-linear, numerical model that resolves the time-dependent free surface, we present mean flow properties resulting from a simulation of Visser's (1984, 1991) laboratory experiment on uniform longshore currents. More specifically, we provide information regarding the vertical distribution of radiation stress components (Sxx and Sxy) resulting from obliquely incident, non-linear shoaling waves. Vertical profiles of the radiation stress components predicted by the numerical model are compared with published analytical solutions, expressions given by linear theory, and observations from an investigation employing second-order cnoidal wave theory.

A Comparative Study of the Eruptive and Non-eruptive Flares Produced by the Largest Active Region of Solar Cycle 24

NASA Astrophysics Data System (ADS)

Sarkar, Ranadeep; Srivastava, Nandita

2018-02-01

We investigate the morphological and magnetic characteristics of solar active region (AR) NOAA 12192. AR 12192 was the largest region of Solar Cycle 24; it underwent noticeable growth and produced 6 X-class flares, 22 M-class flares, and 53 C-class flares in the course of its disc passage. However, the most peculiar fact of this AR is that it was associated with only one CME in spite of producing several X-class flares. In this work, we carry out a comparative study between the eruptive and non-eruptive flares produced by AR 12192. We find that the magnitude of abrupt and permanent changes in the horizontal magnetic field and Lorentz force are significantly smaller in the case of the confined flares compared to the eruptive one. We present the areal evolution of AR 12192 during its disc passage. We find the flare-related morphological changes to be weaker during the confined flares, whereas the eruptive flare exhibits a rapid and permanent disappearance of penumbral area away from the magnetic neutral line after the flare. Furthermore, from the extrapolated non-linear force-free magnetic field, we examine the overlying coronal magnetic environment over the eruptive and non-eruptive zones of the AR. We find that the critical decay index for the onset of torus instability was achieved at a lower height over the eruptive flaring region, than for the non-eruptive core area. These results suggest that the decay rate of the gradient of overlying magnetic-field strength may play a decisive role to determine the CME productivity of the AR. In addition, the magnitude of changes in the flare-related magnetic characteristics are found to be well correlated with the nature of solar eruptions.

Non-linear dynamic analysis of geared systems, part 2

NASA Technical Reports Server (NTRS)

Singh, Rajendra; Houser, Donald R.; Kahraman, Ahmet

1990-01-01

A good understanding of the steady state dynamic behavior of a geared system is required in order to design reliable and quiet transmissions. This study focuses on a system containing a spur gear pair with backlash and periodically time-varying mesh stiffness, and rolling element bearings with clearance type non-linearities. A dynamic finite element model of the linear time-invariant (LTI) system is developed. Effects of several system parameters, such as torsional and transverse flexibilities of the shafts and prime mover/load inertias, on free and force vibration characteristics are investigated. Several reduced order LTI models are developed and validated by comparing their eigen solution with the finite element model results. Several key system parameters such as mean load and damping ratio are identified and their effects on the non-linear frequency response are evaluated quantitatively. Other fundamental issues such as the dynamic coupling between non-linear modes, dynamic interactions between component non-linearities and time-varying mesh stiffness, and the existence of subharmonic and chaotic solutions including routes to chaos have also been examined in depth.

Electric current variations and 3D magnetic configuration of coronal jets

NASA Astrophysics Data System (ADS)

Schmieder, Brigitte; Harra, Louise K.; Aulanier, Guillaume; Guo, Yang; Demoulin, Pascal; Moreno-Insertis, Fernando, , Prof

Coronal jets (EUV) were observed by SDO/AIA on September 17, 2010. HMI and THEMIS measured the vector magnetic field from which we derived the magnetic flux, the phostospheric velocity and the vertical electric current. The magnetic configuration was computed with a non linear force-free approach. The phostospheric current pattern of the recurrent jets were associated with the quasi-separatrix layers deduced from the magnetic extrapolation. The large twisted near-by Eiffel-tower-shape jet was also caused by reconnection in current layers containing a null point. This jet cannot be classified precisely within either the quiescent or the blowout jet types. We will show the importance of the existence of bald patches in the low atmosphere

Magnetohydrodynamics of atmospheric transients. IV - Nonplane two-dimensional analyses of energy conversion and magnetic field evolution. [during corona following solar flare

NASA Technical Reports Server (NTRS)

Wu, S. T.; Nakagawa, Y.; Han, S. M.; Dryer, M.

1982-01-01

The evolution of the magnetic field and the manner of conversion of thermal energy into different forms in the corona following a solar flare are investigated by means of a nonplane magnetohydrodynamic (MHD) analysis. All three components of magnetic field and velocity are treated in a physically self-consistent manner, with all physical variables as functions of time (t) and two spatial coordinates (r, theta). The difference arising from the initial magnetic field, either twisted (force-free) or non-twisted (potential), is demonstrated. Consideration is given to two initial field topologies (open vs. closed). The results demonstrate that the conversion of magnetic energy is faster for the case of the initially twisted (force-free) field than for the initially untwisted (potential) field. In addition, the twisted field is found to produce a complex structure of the density enhancements.

Stress Induced in Periodontal Ligament under Orthodontic Loading (Part II): A Comparison of Linear Versus Non-Linear Fem Study.

PubMed

Hemanth, M; Deoli, Shilpi; Raghuveer, H P; Rani, M S; Hegde, Chatura; Vedavathi, B

2015-09-01

Simulation of periodontal ligament (PDL) using non-linear finite element method (FEM) analysis gives better insight into understanding of the biology of tooth movement. The stresses in the PDL were evaluated for intrusion and lingual root torque using non-linear properties. A three-dimensional (3D) FEM model of the maxillary incisors was generated using Solidworks modeling software. Stresses in the PDL were evaluated for intrusive and lingual root torque movements by 3D FEM using ANSYS software. These stresses were compared with linear and non-linear analyses. For intrusive and lingual root torque movements, distribution of stress over the PDL was within the range of optimal stress value as proposed by Lee, but was exceeding the force system given by Proffit as optimum forces for orthodontic tooth movement with linear properties. When same force load was applied in non-linear analysis, stresses were more compared to linear analysis and were beyond the optimal stress range as proposed by Lee for both intrusive and lingual root torque. To get the same stress as linear analysis, iterations were done using non-linear properties and the force level was reduced. This shows that the force level required for non-linear analysis is lesser than that of linear analysis.

Evolution of Wigner function in laser process under the action of linear resonance force and its application

NASA Astrophysics Data System (ADS)

Dao-ming, Lu

2018-05-01

The negativity of Wigner function (WF) is one of the important symbols of non-classical properties of light field. Therefore, it is of great significance to study the evolution of WF in dissipative process. The evolution formula of WF in laser process under the action of linear resonance force is given by virtue of thermo entangled state representation and the technique of integration within an ordered product of operator. As its application, the evolution of WF of thermal field and that of single-photon-added coherent state are discussed. The results show that the WF of thermal field maintains its original character. On the other hand, the negative region size and the depth of negativity of WF of single- photon-added coherent state decrease until it vanishes with dissipation. This shows that the non-classical property of single-photon-added coherent state is weakened, until it disappears with dissipation time increasing.

A note on free and forced Rossby wave solutions: The case of a straight coast and a channel

NASA Astrophysics Data System (ADS)

Graef, Federico

2017-03-01

The free Rossby wave (RW) solutions in an ocean with a straight coast when the offshore wavenumber of incident (l1) and reflected (l2) wave are equal or complex are discussed. If l1 = l2 the energy streams along the coast and a uniformly valid solution cannot be found; if l1,2 are complex it yields the sum of an exponentially decaying and growing (away from the coast) Rossby wave. The channel does not admit these solutions as free modes. If the wavenumber vectors of the RWs are perpendicular to the coast, the boundary condition of no normal flow is trivially satisfied and the value of the streamfunction does not need to vanish at the coast. A solution that satisfies Kelvin's theorem of time-independent circulation at the coast is proposed. The forced RW solutions when the ocean's forcing is a single Fourier component are studied. If the forcing is resonant, i.e. a free Rossby wave (RW), the linear response will depend critically on whether the wave carries energy perpendicular to the channel or not. In the first case, the amplitude of the response is linear in the direction normal to the channel, y, and in the second it has a parabolic profile in y. Examples of these solutions are shown for channels with parameters resembling the Mozambique Channel, the Tasman Sea, the Denmark Strait and the English Channel. The solutions for the single coast are unbounded, except when the forcing is a RW trapped against the coast. If the forcing is non-resonant, exponentially decaying or trapped RWs could be excited in the coast and both the exponentially ;decaying; and exponentially ;growing; RW could be excited in the channel.

A NEW DENSITY VARIANCE-MACH NUMBER RELATION FOR SUBSONIC AND SUPERSONIC ISOTHERMAL TURBULENCE

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

Konstandin, L.; Girichidis, P.; Federrath, C.

The probability density function of the gas density in subsonic and supersonic, isothermal, driven turbulence is analyzed using a systematic set of hydrodynamical grid simulations with resolutions of up to 1024{sup 3} cells. We perform a series of numerical experiments with root-mean-square (rms) Mach number M ranging from the nearly incompressible, subsonic (M=0.1) to the highly compressible, supersonic (M=15) regime. We study the influence of two extreme cases for the driving mechanism by applying a purely solenoidal (divergence-free) and a purely compressive (curl-free) forcing field to drive the turbulence. We find that our measurements fit the linear relation between themore » rms Mach number and the standard deviation (std. dev.) of the density distribution in a wide range of Mach numbers, where the proportionality constant depends on the type of forcing. In addition, we propose a new linear relation between the std. dev. of the density distribution {sigma}{sub {rho}} and that of the velocity in compressible modes, i.e., the compressible component of the rms Mach number, M{sub comp}. In this relation the influence of the forcing is significantly reduced, suggesting a linear relation between {sigma}{sub {rho}} and M{sub comp}, independent of the forcing, and ranging from the subsonic to the supersonic regime.« less

On Faraday Instability in Magnetic Liquids: Ince-Erdelyi Approach Applied to the Hill Equation Describing Oscillations of a Ferrofluid Free Surface

NASA Astrophysics Data System (ADS)

Hennenberg, M.; Slavtchev, S.; Valchev, G.

2013-12-01

When an isothermal ferrofluid is submitted to an oscillating magnetic field, the initially motionless liquid free surface can start to oscillate. This physical phenomenon is similar to the Faraday instability for usual Newtonian liquids subjected to a mechanical oscillation. In the present paper, we consider the magnetic field as a sum of a constant part and a time periodic part. Two different cases for the constant part of the field, being vertical in the first one or horizontal in the second one are studied. Assuming both ferrofluid magnetization and magnetic field to be collinear, we develop the linear stability analysis of the motionless reference state taking into account the Kelvin magnetic forces. The Laplace law describing the free surface deformation reduces to Hill's equation, which is studied using the classical method of Ince and Erdelyi. Inside this framework, we obtain the transition conditions leading to the free surface oscillations.

The limitation and applicability of Musher-Sturman equation to two dimensional lower hybrid wave collapse

NASA Technical Reports Server (NTRS)

Tam, Sunny W. Y.; Chang, Tom

1995-01-01

The existence of localized regions of intense lower hybrid waves in the auroral ionosphere recently observed by rocket and satellite experiments can be understood by the study of a non-linear two-timescale coupling process. In this Letter, we demonstrate that the leading non-linear term in the standard Musher-Sturman equation vanishes identically in strict two-dimensions (normal to the magnetic field). Instead, the new two-dimensional equation is characterized by a much weaker non-linear term which arises from the ponderomotive force perpendicular to the magnetic field, particularly that due to the ions. The old and new equations are compared by means of time-evolution calculations of wave fields. The results exhibit a remarkable difference in the evolution of the waves as governed by the two equations. Such dissimilar outcomes motivate our investigation of the limitation of Musher-Sturman equation in quasi-two-dimensions. Only within all these limits can Musher-Sturman equation adequately describe the collapse of lower hybrid waves.

A displacement-based approach for determining non-linear effects on pre-tensioned-cable cross-braced structures

NASA Astrophysics Data System (ADS)

Giaccu, Gian Felice; Caracoglia, Luca

2017-04-01

Pre-tensioned-cable bracing systems are widely employed in structural engineering to limit lateral deflections and stabilize structures. A suitable configuration of the pre-tensioned-cable bracing systems in a structure is an important issue since the internal force distribution, emerging from the interaction with the existing structure, significantly affects the structural dynamic behavior. The design, however, is often based on the intuition and the previous experience of the engineer. In recent years, the authors have been investigating the non-linear dynamic response of cable systems, installed on cable-stayed bridges, and in particular the so-called "cable-cross-tie systems" forming a cable network. The bracing cables (cross-ties) can exhibit slackening or snapping. Therefore, a non-linear unilateral model, combined with the taut-cable theory, is required to simulate the incipient slackening conditions in the stays. Capitalizing from this work on non-linear cable dynamics, this paper proposes a new approach to analyze, in laterally- braced truss structures, the unilateral effects and dynamic response accounting for the loss in the pre-tensioning force imparted to the bracing cables. This effect leads to non-linear vibration of the structure. In this preliminary study, the free vibrations of the structure are investigated by using the "Equivalent Linearization Method". A performance coefficient, a real positive number between 0.5 and 1.0, is defined and employed to monitor the relative reduction in the apparent stiffness of the braces during structural vibration, "mode by mode". It is shown that the system can exhibit alternate unilateral behavior of the cross-braces. A reduction of the performance coefficient close to fifty percent is observed in the braces when the initial pre-tensioning force is small. On the other hand the performance coefficient tends to one in the case of a high level of pre-stress. It is concluded that the performance coefficient may possibly be used as an indicator for the design of the braces since a suitable selection of the initial pre-tensioning force can avoid slackening in the braces.

Simulating Flaring Events via an Intelligent Cellular Automata Mechanism

NASA Astrophysics Data System (ADS)

Dimitropoulou, M.; Vlahos, L.; Isliker, H.; Georgoulis, M.

2010-07-01

We simulate flaring events through a Cellular Automaton (CA) model, in which, for the first time, we use observed vector magnetograms as initial conditions. After non-linear force free extrapolation of the magnetic field from the vector magnetograms, we identify magnetic discontinuities, using two alternative criteria: (1) the average magnetic field gradient, or (2) the normalized magnetic field curl (i.e. the current). Magnetic discontinuities are identified at the grid-sites where the magnetic field gradient or curl exceeds a specified threshold. We then relax the magnetic discontinuities according to the rules of Lu and Hamilton (1991) or Lu et al. (1993), i.e. we redistribute the magnetic field locally so that the discontinuities disappear. In order to simulate the flaring events, we consider several alternative scenarios with regard to: (1) The threshold above which magnetic discontinuities are identified (applying low, high, and height-dependent threshold values); (2) The driving process that occasionally causes new discontinuities (at randomly chosen grid sites, magnetic field increments are added that are perpendicular (or may-be also parallel) to the existing magnetic field). We address the question whether the coronal active region magnetic fields can indeed be considered to be in the state of self-organized criticality (SOC).

Archimedes force on Casimir apparatus

NASA Astrophysics Data System (ADS)

Shevchenko, Vladimir; Shevrin, Efim

2016-08-01

This paper addresses a problem of Casimir apparatus in dense medium, put in weak gravitational field. The falling of the apparatus has to be governed by the equivalence principle with proper account for contributions to the weight of the apparatus from its material part and from distorted quantum fields. We discuss general expression for the corresponding force in metric with cylindrical symmetry. By way of example, we compute explicit expression for Archimedes force, acting on the Casimir apparatus of finite size, immersed into thermal bath of free scalar field. It is shown that besides universal term, proportional to the volume of the apparatus, there are non-universal quantum corrections, depending on the boundary conditions.

Fokker-Planck equation for the non-Markovian Brownian motion in the presence of a magnetic field

NASA Astrophysics Data System (ADS)

Das, Joydip; Mondal, Shrabani; Bag, Bidhan Chandra

2017-10-01

In the present study, we have proposed the Fokker-Planck equation in a simple way for a Langevin equation of motion having ordinary derivative (OD), the Gaussian random force and a generalized frictional memory kernel. The equation may be associated with or without conservative force field from harmonic potential. We extend this method for a charged Brownian particle in the presence of a magnetic field. Thus, the present method is applicable for a Langevin equation of motion with OD, the Gaussian colored thermal noise and any kind of linear force field that may be conservative or not. It is also simple to apply this method for the colored Gaussian noise that is not related to the damping strength.

Fokker-Planck equation for the non-Markovian Brownian motion in the presence of a magnetic field.

PubMed

Das, Joydip; Mondal, Shrabani; Bag, Bidhan Chandra

2017-10-28

In the present study, we have proposed the Fokker-Planck equation in a simple way for a Langevin equation of motion having ordinary derivative (OD), the Gaussian random force and a generalized frictional memory kernel. The equation may be associated with or without conservative force field from harmonic potential. We extend this method for a charged Brownian particle in the presence of a magnetic field. Thus, the present method is applicable for a Langevin equation of motion with OD, the Gaussian colored thermal noise and any kind of linear force field that may be conservative or not. It is also simple to apply this method for the colored Gaussian noise that is not related to the damping strength.

Manipulation of quantum evolution

NASA Technical Reports Server (NTRS)

Cabera, David Jose Fernandez; Mielnik, Bogdan

1994-01-01

The free evolution of a non-relativistic charged particle is manipulated using time-dependent magnetic fields. It is shown that the application of a programmed sequence of magnetic pulses can invert the free evolution process, forcing an arbitrary wave packet to 'go back in time' to recover its past shape. The possibility of more general operations upon the Schrodinger wave packet is discussed.

Collisionless distribution function for the relativistic force-free Harris sheet

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

Stark, C. R.; Neukirch, T.

A self-consistent collisionless distribution function for the relativistic analogue of the force-free Harris sheet is presented. This distribution function is the relativistic generalization of the distribution function for the non-relativistic collisionless force-free Harris sheet recently found by Harrison and Neukirch [Phys. Rev. Lett. 102, 135003 (2009)], as it has the same dependence on the particle energy and canonical momenta. We present a detailed calculation which shows that the proposed distribution function generates the required current density profile (and thus magnetic field profile) in a frame of reference in which the electric potential vanishes identically. The connection between the parameters ofmore » the distribution function and the macroscopic parameters such as the current sheet thickness is discussed.« less

Steady induction effects in geomagnetism. Part 1B: Geomagnetic estimation of steady surficial core motions: A non-linear inverse problem

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

1993-01-01

The problem of estimating a steady fluid velocity field near the top of Earth's core which induces the secular variation (SV) indicated by models of the observed geomagnetic field is examined in the source-free mantle/frozen-flux core (SFI/VFFC) approximation. This inverse problem is non-linear because solutions of the forward problem are deterministically chaotic. The SFM/FFC approximation is inexact, and neither the models nor the observations they represent are either complete or perfect. A method is developed for solving the non-linear inverse motional induction problem posed by the hypothesis of (piecewise, statistically) steady core surface flow and the supposition of a complete initial geomagnetic condition. The method features iterative solution of the weighted, linearized least-squares problem and admits optional biases favoring surficially geostrophic flow and/or spatially simple flow. Two types of weights are advanced radial field weights for fitting the evolution of the broad-scale portion of the radial field component near Earth's surface implied by the models, and generalized weights for fitting the evolution of the broad-scale portion of the scalar potential specified by the models.

Jeffrey fluid effect on free convective over a vertically inclined plate with magnetic field: A numerical approach

NASA Astrophysics Data System (ADS)

Rao, J. Anand; Raju, R. Srinivasa; Bucchaiah, C. D.

2018-05-01

In this work, the effect of magnetohydrodynamic natural or free convective of an incompressible, viscous and electrically conducting non-newtonian Jeffrey fluid over a semi-infinite vertically inclined permeable moving plate embedded in a porous medium in the presence of heat absorption, heat and mass transfer. By using non-dimensional quantities, the fundamental governing non-linear partial differential equations are transformed into linear partial differential equations and these equations together with associated boundary conditions are solved numerically by using versatile, extensively validated, variational finite element method. The sway of important key parameters on hydrodynamic, thermal and concentration boundary layers are examined in detail and the results are shown graphically. Finally the results are compared with the works published previously and found to be excellent agreement.

Characterization of an induced pressure pumping force for microfluidics

NASA Astrophysics Data System (ADS)

Jiang, Hai; Fan, Na; Peng, Bei; Weng, Xuan

2017-05-01

The electro-osmotic pumping and pressure-driven manipulation of fluids are considered as the most common strategies in microfluidic devices. However, both of them exhibit major disadvantages such as hard integration and high reagent consumption, and they are destructive methods for detection and photo bleaching. In this paper, an electric field-effect flow control approach, combining the electro-osmotic pumping force and the pressure-driven pumping force, was developed to generate the induced pressure-driven flow in a T-shaped microfluidic chip. Electro-osmotic flow between the T-intersection and two reservoirs was demonstrated, and it provided a stable, continuous, and electric field-free flow in the section of the microchannel without the electrodes. The velocity of the induced pressure-driven flow was linearly proportional to the applied voltages. Both numerical and experimental investigations were conducted to prove the concept, and the experimental results showed good agreement with the numerical simulations. In comparison to other induced pressure pumping methods, this approach can induce a high and controllable pressure drop in the electric field-free segment, subsequently causing an induced pressure-driven flow for transporting particles or biological cells. In addition, the generation of bubbles and the blocking of the microchannel are avoided.

Parametric Transformation Analysis

NASA Technical Reports Server (NTRS)

Gary, G. Allan

2003-01-01

Because twisted coronal features are important proxies for predicting solar eruptive events, and, yet not clearly understood, we present new results to resolve the complex, non-potential magnetic field configurations of active regions. This research uses free-form deformation mathematics to generate the associated coronal magnetic field. We use a parametric representation of the magnetic field lines such that the field lines can be manipulated to match the structure of EUV and SXR coronal loops. The objective is to derive sigmoidal magnetic field solutions which allows the beta greater than 1 regions to be included, aligned and non-aligned electric currents to be calculated, and the Lorentz force to be determined. The advantage of our technique is that the solution is independent of the unknown upper and side boundary conditions, allows non-vanishing magnetic forces, and provides a global magnetic field solution, which contains high- and low-beta regimes and is consistent with all the coronal images of the region. We show that the mathematical description is unique and physical.

Force Balance at the Magnetopause Determined with MMS: Application to Flux Transfer Events

NASA Technical Reports Server (NTRS)

Zhao, C.; Russell, C. T.; Strangeway, R. J.; Petrinec, S. M.; Paterson, W. R.; Zhou, M.; Anderson, B. J.; Baumjohann, W.; Bromund, K. R.; Chutter, M.;

New method for solving inductive electric fields in the non-uniformly conducting ionosphere

NASA Astrophysics Data System (ADS)

Vanhamäki, H.; Amm, O.; Viljanen, A.

2006-10-01

We present a new calculation method for solving inductive electric fields in the ionosphere. The time series of the potential part of the ionospheric electric field, together with the Hall and Pedersen conductances serves as the input to this method. The output is the time series of the induced rotational part of the ionospheric electric field. The calculation method works in the time-domain and can be used with non-uniform, time-dependent conductances. In addition, no particular symmetry requirements are imposed on the input potential electric field. The presented method makes use of special non-local vector basis functions called the Cartesian Elementary Current Systems (CECS). This vector basis offers a convenient way of representing curl-free and divergence-free parts of 2-dimensional vector fields and makes it possible to solve the induction problem using simple linear algebra. The new calculation method is validated by comparing it with previously published results for Alfvén wave reflection from a uniformly conducting ionosphere.

Dispersion of aerosol particles undergoing Brownian motion

NASA Astrophysics Data System (ADS)

Alonso, Manuel; Endo, Yoshiyuki

2001-12-01

The variance of the position distribution for a Brownian particle is derived in the general case where the particle is suspended in a flowing medium and, at the same time, is acted upon by an external field of force. It is shown that, for uniform force and flow fields, the variance is equal to that for a free particle. When the force field is not uniform but depends on spatial location, the variance can be larger or smaller than that for a free particle depending on whether the average motion of the particles takes place toward, respectively, increasing or decreasing absolute values of the field strength. A few examples concerning aerosol particles are discussed, with especial attention paid to the mobility classification of charged aerosols by a non-uniform electric field. As a practical application of these ideas, a new design of particle-size electrostatic classifier differential mobility analyser (DMA) is proposed in which the aerosol particles migrate between the electrodes in a direction opposite to that for a conventional DMA, thereby improving the resolution power of the instrument.

High Frequency Chandler Wobble Excitation

NASA Astrophysics Data System (ADS)

Seitz, F.; Stuck, J.; Thomas, M.

2003-04-01

Variations of Earth rotation on sub-daily to secular timescales are caused by mass redistributions in the Earth system as a consequence of geophysical processes and gravitational influences. Forced oscillations of polar motion are superposed by free oscillations of the Earth, i.e. the Chandler wobble and the free core nutation. In order to study the interactions between externally induced polar motion and the Earth's free oscillations, a non-linear gyroscopic model has been developed. In most of the former investigations on polar motion, the Chandler wobble is introduced as a damped oscillation with predetermined frequency and amplitude. However, as the effect of rotational deformation is a backcoupling mechanism of polar motion on the Earth's rotational dynamics, both period and amplitude of the Chandler wobble are time-dependent when regarding additional excitations from, e.g., atmospheric or oceanic mass redistributions. The gyroscopic model is free of any explicit information concerning amplitude, phase, and period of free oscillations. The characteristics of the Earth's free oscillation is reproduced by the model from rheological and geometrical parameters and rotational deformation is taken into account. This enables to study the time variable Chandler oscillation when the gyro is forced with atmospheric and oceanic angular momentum from the global atmospheric ECHAM3-T21 general circulation model together with the ocean model for circulation and tides OMCT driven by ECHAM including surface pressure. Besides, mass redistributions in the Earth's body due to gravitational and loading deformations are regarded and external torques exerted by Moon and Sun are considered. The numerical results of the gyro are significantly related with the geodetically observed time series of polar motion published by the IERS. It is shown that the consistent excitation is capable to counteract the damping and thus to maintain the Chandler amplitude. Spectral analyses of the ECHAM and OMCT forcing fields give no hint for increased excitation power in the Chandler band. Thus it is assumed, that continuous high frequency excitation due to stochastic weather phenomena is responsible for the perpetuation of the Chandler wobble.

Closed-form solution for static pull-in voltage of electrostatically actuated clamped-clamped micro/nano beams under the effect of fringing field and van der Waals force

NASA Astrophysics Data System (ADS)

Bhojawala, V. M.; Vakharia, D. P.

2017-12-01

This investigation provides an accurate prediction of static pull-in voltage for clamped-clamped micro/nano beams based on distributed model. The Euler-Bernoulli beam theory is used adapting geometric non-linearity of beam, internal (residual) stress, van der Waals force, distributed electrostatic force and fringing field effects for deriving governing differential equation. The Galerkin discretisation method is used to make reduced-order model of the governing differential equation. A regime plot is presented in the current work for determining the number of modes required in reduced-order model to obtain completely converged pull-in voltage for micro/nano beams. A closed-form relation is developed based on the relationship obtained from curve fitting of pull-in instability plots and subsequent non-linear regression for the proposed relation. The output of regression analysis provides Chi-square (χ 2) tolerance value equals to 1  ×  10-9, adjusted R-square value equals to 0.999 29 and P-value equals to zero, these statistical parameters indicate the convergence of non-linear fit, accuracy of fitted data and significance of the proposed model respectively. The closed-form equation is validated using available data of experimental and numerical results. The relative maximum error of 4.08% in comparison to several available experimental and numerical data proves the reliability of the proposed closed-form equation.

Adiabatic Field-Free Alignment of Asymmetric Top Molecules with an Optical Centrifuge.

PubMed

Korobenko, A; Milner, V

2016-05-06

We use an optical centrifuge to align asymmetric top SO_{2} molecules by adiabatically spinning their most polarizable O-O axis. The effective centrifugal potential in the rotating frame confines the sulfur atoms to the plane of the laser-induced rotation, leading to the planar molecular alignment that persists after the molecules are released from the centrifuge. The periodic appearance of the full three-dimensional alignment, typically observed only with linear and symmetric top molecules, is also detected. Together with strong in-plane centrifugal forces, which bend the molecules by up to 10 deg, permanent field-free alignment offers new ways of controlling molecules with laser light.

Archimedes force on Casimir apparatus

NASA Astrophysics Data System (ADS)

Shevchenko, V.; Shevrin, E.

2016-11-01

The talk addresses a problem of Casimir apparatus in weak gravitational field, surrounded by a dense medium. The falling of the apparatus has to be governed by the equivalence principle, taking into account proper contributions to the weight of the apparatus from its material part and from distorted quantum fields. We discuss general ex pression for the corresponding force in terms of the effective action. By way of example we compute explicit expression for Archimedes force, acting on the Casimir apparatus of finite size, immersed into thermal bath of free scalar field. It is shown that besides universal term, proportional to the volume of the apparatus, there are non-universal quantum corrections, depending on the boundary conditions.

The ins and outs of modelling vertical displacement events

NASA Astrophysics Data System (ADS)

Pfefferle, David

2017-10-01

Of the many reasons a plasma discharge disrupts, Vertical Displacement Events (VDEs) lead to the most severe forces and stresses on the vacuum vessel and Plasma Facing Components (PFCs). After loss of positional control, the plasma column drifts across the vacuum vessel and comes in contact with the first wall, at which point the stored magnetic and thermal energy is abruptly released. The vessel forces have been extensively modelled in 2D but, with the constraint of axisymmetry, the fundamental 3D effects that lead to toroidal peaking, sideways forces, field-line stochastisation and halo current rotation have been vastly overlooked. In this work, we present the main results of an intense VDE modelling activity using the implicit 3D extended MHD code M3D-C1 and share our experience with the multi-domain and highly non-linear physics encountered. At the culmination of code development by the M3D-C1 group over the last decade, highlighted by the inclusion of a finite-thickness resistive vacuum vessel within the computational domain, a series of fully 3D non-linear simulations are performed using realistic transport coefficients based on the reconstruction of so-called NSTX frozen VDEs, where the feedback control was purposely switched off to trigger a vertical instability. The vertical drift phase, the evolution of the current quench and the onset of 3D halo/eddy currents are diagnosed and investigated in detail. The sensitivity of the current quench to parameter changes is assessed via 2D non-linear runs. The growth of individual toroidal modes is monitored via linear-complex runs. The intricate evolution of the plasma, which is decaying to large extent in force-balance with induced halo/wall currents, is carefully resolved via 3D non-linear runs. The location, amplitude and rotation of normal currents and wall forces are analysed and compared with experimental traces.

Non-linear, non-monotonic effect of nano-scale roughness on particle deposition in absence of an energy barrier: Experiments and modeling

PubMed Central

Jin, Chao; Glawdel, Tomasz; Ren, Carolyn L.; Emelko, Monica B.

2015-01-01

Deposition of colloidal- and nano-scale particles on surfaces is critical to numerous natural and engineered environmental, health, and industrial applications ranging from drinking water treatment to semi-conductor manufacturing. Nano-scale surface roughness-induced hydrodynamic impacts on particle deposition were evaluated in the absence of an energy barrier to deposition in a parallel plate system. A non-linear, non-monotonic relationship between deposition surface roughness and particle deposition flux was observed and a critical roughness size associated with minimum deposition flux or “sag effect” was identified. This effect was more significant for nanoparticles (<1 μm) than for colloids and was numerically simulated using a Convective-Diffusion model and experimentally validated. Inclusion of flow field and hydrodynamic retardation effects explained particle deposition profiles better than when only the Derjaguin-Landau-Verwey-Overbeek (DLVO) force was considered. This work provides 1) a first comprehensive framework for describing the hydrodynamic impacts of nano-scale surface roughness on particle deposition by unifying hydrodynamic forces (using the most current approaches for describing flow field profiles and hydrodynamic retardation effects) with appropriately modified expressions for DLVO interaction energies, and gravity forces in one model and 2) a foundation for further describing the impacts of more complicated scales of deposition surface roughness on particle deposition. PMID:26658159

Non-linear, non-monotonic effect of nano-scale roughness on particle deposition in absence of an energy barrier: Experiments and modeling

NASA Astrophysics Data System (ADS)

Jin, Chao; Glawdel, Tomasz; Ren, Carolyn L.; Emelko, Monica B.

2015-12-01

Deposition of colloidal- and nano-scale particles on surfaces is critical to numerous natural and engineered environmental, health, and industrial applications ranging from drinking water treatment to semi-conductor manufacturing. Nano-scale surface roughness-induced hydrodynamic impacts on particle deposition were evaluated in the absence of an energy barrier to deposition in a parallel plate system. A non-linear, non-monotonic relationship between deposition surface roughness and particle deposition flux was observed and a critical roughness size associated with minimum deposition flux or “sag effect” was identified. This effect was more significant for nanoparticles (<1 μm) than for colloids and was numerically simulated using a Convective-Diffusion model and experimentally validated. Inclusion of flow field and hydrodynamic retardation effects explained particle deposition profiles better than when only the Derjaguin-Landau-Verwey-Overbeek (DLVO) force was considered. This work provides 1) a first comprehensive framework for describing the hydrodynamic impacts of nano-scale surface roughness on particle deposition by unifying hydrodynamic forces (using the most current approaches for describing flow field profiles and hydrodynamic retardation effects) with appropriately modified expressions for DLVO interaction energies, and gravity forces in one model and 2) a foundation for further describing the impacts of more complicated scales of deposition surface roughness on particle deposition.

A permanent magnet tubular linear generator for wave energy conversion

NASA Astrophysics Data System (ADS)

Yu, Haitao; Liu, Chunyuan; Yuan, Bang; Hu, Minqiang; Huang, Lei; Zhou, Shigui

2012-04-01

A novel three-phase permanent magnet tubular linear generator (PMTLG) with Halbach array is proposed for the sea wave energy conversion. Non-linear axi-symmetrical finite element method (FEM) is implemented to calculate the magnetic fields along air-gap for different Halbach arrays of PMTLGs. The PMTLG characteristics are analyzed and the simulation results are validated by the experiment. An assistant tooth is implemented to greatly minimize the end and cogging effects which cause the oscillatory detent force.

The precession dynamo experiment at HZDR

NASA Astrophysics Data System (ADS)

Giesecke, A.; Gundrum, T.; Herault, J.; Stefani, F.; Gerbeth, G.

2015-12-01

In a next generation dynamo experiment currently under development atthe Helmholtz-Zentrum Dresden-Rossendorf (HZDR) a fluid flow of liquidsodium, solely driven by precession, will be considered as a possiblesource for magnetic field generation. The experiment is mainlymotivated by alternative concepts for astrophysical dynamos that arebased on mechanical flow driving. For example, it has long beendiscussed whether precession may be a complementary power source forthe geodynamo (Malkus, Science 1968) or for the ancient lunar dynamodue to the Earth-driven precession of the lunar spin axis (Dwyer, Nature 2011).We will present the current state of development of the dynamoexperiment together with results from non-linear hydrodynamicsimulations with moderate precessional forcing. Our simulations reveala non-axisymmetric forced mode with an amplitude of up to one fourthof the rotation velocity of the cylindrical container confirming thatprecession provides a rather efficient flow driving mechanism even atmoderate precession rates.More relevant for dynamo action might be free Kelvin modes (thenatural flow eigenmodes in a rotating cylinder) with higher azimuthalwave number. These modes may become relevant when constituting atriadic resonance with the fundamental forced mode, i.e., when theheight of the container matches their axial wave lengths. We findtriadic resonances at aspect ratios close to those predicted by thelinear theory except around the primary resonance of the forcedmode. In that regime we still identify free Kelvin modes propagatingin retrograde direction but none of them can be assigned to a triade.Our results will enter into the development of flow models that willbe used in kinematic simulations of the electromagnetic inductionequation in order to determine whether a precession driven flow willbe capable to drive a dynamo at all and to limit the parameter spacewithin which the occurrence of dynamo action is most promising.

Fresnel diffractograms from pure-phase wave fields under perfect spatio-temporal coherence: Non-linear/non-local aspects and far-field behavior.

PubMed

Trost, F; Hahn, S; Müller, Y; Gasilov, S; Hofmann, R; Baumbach, T

2017-12-18

Recently, the diffractogram, that is, the Fourier transform of the intensity contrast induced by Fresnel free-space propagation of a given (exit) wave field, was investigated non-perturbatively in the phase-scaling factor S (controlling the strength of phase variation) for the special case of a Gaussian phase of width [Formula: see text]. Surprisingly, an additional low-frequency zero σ *  = σ * (S, F) >0 emerges critically at small Fresnel number F (σ proportional to square of 2D spatial frequency). Here, we study the S-scaling behavior of the entire diffractogram. We identify a valley of maximum S-scaling linearity in the F - σ plane corresponding to a nearly universal physical frequency ξml = (0:143 ± 0.001)w -1/2 . Large values of F (near field) are shown to imply S-scaling linearity for low σ but nowhere else (overdamped non-oscillatory). In contrast, small F values (far field) entail distinct, sizable s-bands of good S-scaling linearity (damped oscillatory). These bands also occur in simulated diffractograms induced by a complex phase map (Lena). The transition from damped oscillatory to overdamped non-oscillatory diffractograms is shown to be a critical phenomenon for the Gaussian case. We also give evidence for the occurrence of this transition in an X-ray imaging experiment. Finally, we show that the extreme far-field limit generates a σ-universal diffractogram under certain requirements on the phase map: information on phase shape then is solely encoded in S-scaling behavior.

NONLINEAR FORCE-FREE FIELD MODELING OF A SOLAR ACTIVE REGION USING SDO/HMI AND SOLIS/VSM DATA

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

Thalmann, J. K.; Wiegelmann, T.; Pietarila, A.

2012-08-15

We use SDO/HMI and SOLIS/VSM photospheric magnetic field measurements to model the force-free coronal field above a solar active region, assuming magnetic forces dominate. We take measurement uncertainties caused by, e.g., noise and the particular inversion technique, into account. After searching for the optimum modeling parameters for the particular data sets, we compare the resulting nonlinear force-free model fields. We show the degree of agreement of the coronal field reconstructions from the different data sources by comparing the relative free energy content, the vertical distribution of the magnetic pressure, and the vertically integrated current density. Though the longitudinal and transversemore » magnetic flux measured by the VSM and HMI is clearly different, we find considerable similarities in the modeled fields. This indicates the robustness of the algorithm we use to calculate the nonlinear force-free fields against differences and deficiencies of the photospheric vector maps used as an input. We also depict how much the absolute values of the total force-free, virial, and the free magnetic energy differ and how the orientation of the longitudinal and transverse components of the HMI- and VSM-based model volumes compare to each other.« less

The force-free configuration of flux ropes in geomagnetotail: Cluster observations

NASA Astrophysics Data System (ADS)

Yang, Y. Y.; Shen, C.; Zhang, Y. C.; Rong, Z. J.; Li, X.; Dunlop, M.; Ma, Y. H.; Liu, Z. X.; Carr, C. M.; Rème, H.

2014-08-01

Unambiguous knowledge of magnetic field structure and the electric current distribution is critical for understanding the origin, evolution, and related dynamic properties of magnetic flux ropes (MFRs). In this paper, a survey of 13 MFRs in the Earth's magnetotail are conducted by Cluster multipoint analysis, so that their force-free feature, i.e., the kind of magnetic field structure satisfying J × B = 0, can be probed directly. It is showed that the selected flux ropes with the bipolar signature of the south-north magnetic field component generally lie near the equatorial plane, as expected, and that the magnetic field gradient is rather weak near the axis center, where the curvature radius is large. The current density (up to several tens of nA/m2) reaches their maximum values as the center is approached. It is found that the stronger the current density, the smaller the angles between the magnetic field and current in MFRs. The direct observations show that only quasi force-free structure is observed, and it tends to appear in the low plasma beta regime (in agreement with the theoretic results). The quasi force-free region is generally found to be embedded in the central portion of the MFRs, where the current is approximately field aligned and proportional to the strength of core field. It is shown that ~60% of surveyed MFRs can be globally approximated as force free. The force-free factor α is found to be nonconstantly varied through the quasi force-free MFR, suggesting that the force-free structure is nonlinear.

Dissipation dynamics of field-free molecular alignment for symmetric-top molecules: Ethane (C2H6)

NASA Astrophysics Data System (ADS)

Zhang, H.; Billard, F.; Yu, X.; Faucher, O.; Lavorel, B.

2018-03-01

The field-free molecular alignment of symmetric-top molecules, ethane, induced by intense non-resonant linearly polarized femtosecond laser pulses is investigated experimentally in the presence of collisional relaxation. The dissipation dynamics of field-free molecular alignment are measured by the balanced detection of ultrafast molecular birefringence of ethane gas samples at high pressures. By separating the molecular alignment into the permanent alignment and the transient alignment, the decay time-constants of both components are quantified at the same pressure. It is observed that the permanent alignment always decays slower compared to the transient alignment within the measured pressure range. This demonstrates that the propensity of molecules to conserve the orientation of angular momentum during collisions, previously observed for linear species, is also applicable to symmetric-top molecules. The results of this work provide valuable information for further theoretical understanding of collisional relaxation within nonlinear polyatomic molecules, which are expected to present interesting and nontrivial features due to an extra rotational degree of freedom.

Generation of high power sub millimeter radiation using free electron laser

NASA Astrophysics Data System (ADS)

Panwar, J.; Sharma, S. C.; Malik, P.; Yadav, M.; Sharma, R.

2018-03-01

We have developed an analytical formalism to study the emission of high power radiation lying in the sub millimetre range. A relativistic electron beam (REB) is velocity modulated by the pondermotive force exerted by the laser beams. After passing through the drift space, the beam gets density modulated which further interacts with the strong field wiggler and acquires a transverse velocity that couples with the modulated density of the beam in the presence of ion channel which contribute to the non-linear current density which further leads to the emission of the radiation. The output radiation can be modified by changing the wiggler parameters and the energy of the electron beam. The power of the output radiation is found to increase with the modulation. The obtained radiation can be employed for various applications.

Cogging force investigation of a free piston permanent magnet linear generator

NASA Astrophysics Data System (ADS)

Abdalla, I. I.; Zainal, A. E. Z.; Ramlan, N. A.; Firmansyah; Aziz, A. R. A.; Heikal, M. R.

2017-10-01

Better performance and higher efficiency of the vehicles can be achieved by using free piston engine, in which the piston is connected directly to the linear generator and waiving of any mechanical means. The free piston engine has the ability to overcome or reduce many of the challenges, such as the carbon dioxide (CO2) emission and fossil fuel consumption. The cogging force produces undesired vibration and acoustic noise in the generator. However, the cogging force must be minimized as much as possible, in order to have a high performance. This paper studies the effects of ferromagnetic materials on the cogging force of the permanent magnet linear generator (PMLG) to be used in a free piston engine using nonlinear finite-element analysis (FEA) under ANSYS Maxwell. The comparisons have been established for the cogging force of the PMLG under various translator velocities and three different ferromagnetic materials for the stator core, namely, Silicon Steel laminations, Mild Steel and Somaloy. It has been shown that the PMLG with a stator core made of Somaloy has a lower cogging force among them. Furthermore, the induced voltage of the PMLG at different accelerations has been studied. It is found that the PMLG with Mild Steel and Somaloy, respectively give larger induced voltage. Moreover, as the translator speed increase the induced voltage increased.

Deformations of a pre-stretched and lubricated finite elastic membrane driven by non-uniform external forcing

NASA Astrophysics Data System (ADS)

Boyko, Evgeniy; Gat, Amir; Bercovici, Moran

2017-11-01

We study viscous-elastic dynamics of a fluid confined between a rigid plate and a finite pre-stretched circular elastic membrane, pinned at its boundaries. The membrane is subjected to forces acting either directly on the membrane or through a pressure distribution in the fluid. Under the assumptions of strong pre-stretching and small deformations of the elastic sheet, and by applying the lubrication approximation for the flow, we derive the Green's function for the resulting linearized 4th order diffusion equation governing the deformation field in cylindrical coordinates. In addition, defining an asymptotic expansion with the ratio of the induced to prescribed tension serving as the small parameter, we reduce the coupled Reynolds and non-linear von-Karman equations to a set of three one-way coupled linear equations. The solutions to these equations provide insight onto the effects of induced tension, and enable simplified prediction of the correction for the deformation field. Funded by the European Research Council (ERC) under the European Union'sHorizon 2020 Research and Innovation Programme, Grant Agreement No. 678734 (MetamorphChip). E.B. is supported by the Adams Fellowship Program.

Photospheric Current Spikes And Their Possible Association With Flares - Results from an HMI Data Driven Model

NASA Astrophysics Data System (ADS)

Goodman, M. L.; Kwan, C.; Ayhan, B.; Eric, S. L.

2016-12-01

A data driven, near photospheric magnetohydrodynamic model predicts spikes in the horizontal current density, and associated resistive heating rate. The spikes appear as increases by orders of magnitude above background values in neutral line regions (NLRs) of active regions (ARs). The largest spikes typically occur a few hours to a few days prior to M or X flares. The spikes correspond to large vertical derivatives of the horizontal magnetic field. The model takes as input the photospheric magnetic field observed by the Helioseismic & Magnetic Imager (HMI) on the Solar Dynamics Observatory (SDO) satellite. This 2.5 D field is used to determine an analytic expression for a 3 D magnetic field, from which the current density, vector potential, and electric field are computed in every AR pixel for 14 ARs. The field is not assumed to be force-free. The spurious 6, 12, and 24 hour Doppler periods due to SDO orbital motion are filtered out of the time series of the HMI magnetic field for each pixel. The subset of spikes analyzed at the pixel level are found to occur on HMI and granulation scales of 1 arcsec and 12 minutes. Spikes are found in ARs with and without M or X flares, and outside as well as inside NLRs, but the largest spikes are localized in the NLRs of ARs with M or X flares. The energy to drive the heating associated with the largest current spikes comes from bulk flow kinetic energy, not the electromagnetic field, and the current density is highly non-force free. The results suggest that, in combination with the model, HMI is revealing strong, convection driven, non-force free heating events on granulation scales, and it is plausible these events are correlated with subsequent M or X flares. More and longer time series need to be analyzed to determine if such a correlation exists.

Flare Energy Release: Internal Conflict, Contradiction with High Resolution Observations, Possible Solutions

NASA Astrophysics Data System (ADS)

Pustilnik, L.

2017-06-01

All accepted paradigm of solar and stellar flares energy release based on 2 whales: 1. Source of energy is free energy of non-potential force free magnetic field in atmosphere above active region; 2. Process of ultrafast dissipation of magnetic fields is Reconnection in Thin Turbulent Current Sheet (RTTCS). Progress in observational techniques in last years provided ultra-high spatial resolution and in physics of turbulent plasma showed that real situation is much more complicated and standard approach is in contradiction both with observations and with problem of RTTCS stability. We present critical analysis of classic models of pre-flare energy accumulation and its dissipation during flare energy release from pioneer works Giovanelli (1939, 1947) up to topological reconnection. We show that all accepted description of global force-free fields as source of future flare cannot be agreed with discovered in last years fine and ultra-fine current-magnetic structure included numerouse arcs-threads with diameters up to 100 km with constant sequence from photosphere to corona. This magnetic skeleton of thin current magnetic threads with strong interaction between them is main source of reserved magnetic energy insolar atmosphere. Its dynamics will be controlled by percolation of magnetic stresses through network of current-magnetic threads with transition to flare state caused by critical value of global current. We show that thin turbulent current sheet is absolutely unstable configuration both caused by splitting to numerous linear currents by dissipative modes like to tearing, and as sequence of suppress of plasma turbulence caused by anomalous heating of turbulent plasma. In result of these factors primary RTTCS will be disrupted in numerous turbulent and normal plasma domains like to resistors network. Current propagation through this network will have percolation character with all accompanied properties of percolated systems: self-organization with formation power spectrum of distribution of flares and micro-flares, and possibility of phase transition to flare energy release with huge increasing of energy release.

Non-linear effects in finite amplitude wave propagation through ducts and nozzles

NASA Technical Reports Server (NTRS)

Salikuddin, M.; Brown, W. H.

1986-01-01

In this paper an extensive study of non-linear effects in finite amplitude wave propagation through ducts and nozzles is summarized. Some results from earlier studies are included to illustrate the non-linear effects on the transmission characteristics of duct and nozzle terminations. Investigaiations, both experimental and analytical, were carried out to determine the magnitudes of the effects for high intensity pulse propagation. The results derived from these investigations are presented in this paper. They include the effect of the sound intensity on the acoustic characteristics of duct and nozzle terminations, the extent of the non-linearities in the propagation of high intensity impulsive sound inside the duct and out into free field, the acoustic energy dissipation mechanism at a termination as shown by flow visualizations, and quantitative evaluations by experimental and analytical means of the influence of the intensity of a sound pulse on the dissipation of its acoustic power.

On deriving the Maxwell stress tensor method for calculating the optical force and torque on an object in harmonic electromagnetic fields

NASA Astrophysics Data System (ADS)

Ye, Qian; Lin, Haoze

2017-07-01

Though extensively used in calculating optical force and torque acting on a material object illuminated by laser, the Maxwell stress tensor (MST) method follows the electromagnetic linear and angular momentum balance that is usually derived in most textbooks for a continuous volume charge distribution in free space, if not resorting to the application of Noether’s theorem in electrodynamics. To cast the conservation laws into a physically appealing form involving the current densities of linear and angular momentum, on which the MST method is based, the divergence theorem is employed to transform a volume integral into a surface integral. When a material object of finite volume is put into the field, it brings about a discontinuity of field across its surface, due to the presence of induced surface charge and surface current. Ambiguity arises among students in whether the divergence theorem can still be directly used without any justification. By taking into account the effect of the induced surface charge and current, we present a simple pedagogical derivation for the MST method for calculating the optical force and torque on an object immersed in monochromatic optical field, without resorting to Noether’s theorem. Although the results turn out to be identical to those given in the standard textbooks, our derivation avoids the direct use of the divergence theorem on a discontinuous function.

MMS Multipoint Analysis of the Dynamics, Evolution, and Particle Acceleration Mechanisms Inside FTEs at Earth's Subsolar Magnetopause

NASA Astrophysics Data System (ADS)

Akhavan-Tafti, M.; Slavin, J. A.; Eastwood, J. P.; Cassak, P.; Gershman, D. J.; Zhao, C.

2017-12-01

Flux Transfer Events (FTEs) are transient signatures of magnetic reconnection at the dayside magnetopause and play significant roles in determining the rate of reconnection and accelerating particles. This study investigates the magnetohydrodynamic forces inside and outside FTEs to infer the process through which these structures become force-free and uses electron dynamics to study the mechanisms for particle acceleration within the FTE. Akhavan-Tafti et al. [2017] demonstrated that ion-scale FTEs contain regions of elevated plasma density which greatly contribute to plasma pressure forces inside FTEs. It is shown that as FTEs evolve, the plasma is evacuated as the core magnetic field strengthens, hence becoming more force-free. The neighboring ion-scale FTEs formed at the subsolar magnetopause due to multiple X-line reconnection are forced to interact, and likely coalesce. Entropy is invoked to motivate the discussion on the essential role of coalescence in reconfiguring magnetic fields and current density distributions inside FTEs to allow for the adiabatic growth of these structures. Here, we present observational evidence which shows that, in the absence of coalescence, FTEs can become less force free. Local electron kinematics is studied to compare the contributions of parallel electric field, Fermi acceleration, and betatron acceleration mechanisms to particle heating. Acceleration due to parallel electric fields are shown to be dominant in the vicinity of the reconnection site while betatron acceleration controls perpendicular heating inside the FTE in the presence of magnetic pressure gradients. In the downstream of the reconnection site, the `freshly' reconnected field lines start to straighten due to the magnetic curvature force. Straightening field lines accelerate trapped electrons parallel to the local magnetic field (i.e., first-order Fermi acceleration). These acceleration mechanisms are shown to explain the observed anisotropic pitch angle distributions at the core and at the edges of FTEs. Finally, the forces inside non-flux rope-type FTEs (due to coalescence, expansion, contraction, or division) are shown to contribute to selective plasma heating, hence giving rise to anisotropic plasma temperatures and the subsequent wave activities (e.g. propagation of whistler waves).

Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

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

Speck, Thomas; Menzel, Andreas M.; Bialké, Julian

2015-06-14

Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation ontomore » that of passive fluids with attractive interactions through a global effective free energy (motility-induced phase transition). Particular attention is paid to the square-gradient term necessary for the phase separation kinetics. We finally discuss results from numerical simulations corroborating the analytical results.« less

Numerical analysis of the transportation characteristics of a self-running sliding stage based on near-field acoustic levitation.

PubMed

Feng, Kai; Liu, Yuanyuan; Cheng, Miaomiao

2015-12-01

Owing to its distinct non-contact and oil-free characteristics, a self-running sliding stage based on near-field acoustic levitation can be used in an environment, which demands clean rooms and zero noise. This paper presents a numerical analysis on the lifting and transportation capacity of a non-contact transportation system. Two simplified structure models, namely, free vibration and force vibration models, are proposed for the study of the displacement amplitude distribution of two cases using the finite element method. After coupling the stage displacement into the film thickness, the Reynolds equation is solved by the finite difference method to obtain the lifting and thrusting forces. Parametric analyses of the effects of amplitude, frequency, and standing wave ratio (SWR) on the sliding stage dynamic performance are investigated. Numerical results show good agreement with published experimental values. The predictions also reveal that greater transportation capacity of the self-running sliding stage is generally achieved at less SWR and at higher amplitude.

On classical mechanical systems with non-linear constraints

NASA Astrophysics Data System (ADS)

Terra, Gláucio; Kobayashi, Marcelo H.

2004-03-01

In the present work, we analyze classical mechanical systems with non-linear constraints in the velocities. We prove that the d'Alembert-Chetaev trajectories of a constrained mechanical system satisfy both Gauss' principle of least constraint and Hölder's principle. In the case of a free mechanics, they also satisfy Hertz's principle of least curvature if the constraint manifold is a cone. We show that the Gibbs-Maggi-Appell (GMA) vector field (i.e. the second-order vector field which defines the d'Alembert-Chetaev trajectories) conserves energy for any potential energy if, and only if, the constraint is homogeneous (i.e. if the Liouville vector field is tangent to the constraint manifold). We introduce the Jacobi-Carathéodory metric tensor and prove Jacobi-Carathéodory's theorem assuming that the constraint manifold is a cone. Finally, we present a version of Liouville's theorem on the conservation of volume for the flow of the GMA vector field.

Predicting RNA Duplex Dimerization Free-Energy Changes upon Mutations Using Molecular Dynamics Simulations.

PubMed

Sakuraba, Shun; Asai, Kiyoshi; Kameda, Tomoshi

2015-11-05

The dimerization free energies of RNA-RNA duplexes are fundamental values that represent the structural stability of RNA complexes. We report a comparative analysis of RNA-RNA duplex dimerization free-energy changes upon mutations, estimated from a molecular dynamics simulation and experiments. A linear regression for nine pairs of double-stranded RNA sequences, six base pairs each, yielded a mean absolute deviation of 0.55 kcal/mol and an R(2) value of 0.97, indicating quantitative agreement between simulations and experimental data. The observed accuracy indicates that the molecular dynamics simulation with the current molecular force field is capable of estimating the thermodynamic properties of RNA molecules.

Linear and Non-linear Information Flows In Rainfall Field

NASA Astrophysics Data System (ADS)

Molini, A.; La Barbera, P.; Lanza, L. G.

The rainfall process is the result of a complex framework of non-linear dynamical in- teractions between the different components of the atmosphere. It preserves the com- plexity and the intermittent features of the generating system in space and time as well as the strong dependence of these properties on the scale of observations. The understanding and quantification of how the non-linearity of the generating process comes to influence the single rain events constitute relevant research issues in the field of hydro-meteorology, especially in those applications where a timely and effective forecasting of heavy rain events is able to reduce the risk of failure. This work focuses on the characterization of the non-linear properties of the observed rain process and on the influence of these features on hydrological models. Among the goals of such a survey is the research of regular structures of the rainfall phenomenon and the study of the information flows within the rain field. The research focuses on three basic evo- lution directions for the system: in time, in space and between the different scales. In fact, the information flows that force the system to evolve represent in general a connection between the different locations in space, the different instants in time and, unless assuming the hypothesis of scale invariance is verified "a priori", the different characteristic scales. A first phase of the analysis is carried out by means of classic statistical methods, then a survey of the information flows within the field is devel- oped by means of techniques borrowed from the Information Theory, and finally an analysis of the rain signal in the time and frequency domains is performed, with par- ticular reference to its intermittent structure. The methods adopted in this last part of the work are both the classic techniques of statistical inference and a few procedures for the detection of non-linear and non-stationary features within the process starting from measured data.

Well-posedness of the plasma-vacuum interface problem

NASA Astrophysics Data System (ADS)

Secchi, Paolo; Trakhinin, Yuri

2014-01-01

We consider the free-boundary problem for the plasma-vacuum interface in ideal compressible magnetohydrodynamics (MHD). In the plasma region the flow is governed by the usual compressible MHD equations, while in the vacuum region we consider the pre-Maxwell dynamics for the magnetic field. At the free interface, driven by the plasma velocity, the total pressure is continuous and the magnetic field on both sides is tangent to the boundary. The plasma-vacuum system is not isolated from the outside world, because of a given surface current on the fixed boundary that forces oscillations. Under a suitable stability condition satisfied at each point of the initial interface, stating that the magnetic fields on either side of the interface are not collinear, we show the existence and uniqueness of the solution to the nonlinear plasma-vacuum interface problem in suitable anisotropic Sobolev spaces. The proof is based on the results proved in the companion paper (Secchi and Trakhinin 2013 Interfaces Free Boundaries 15 323-57), about the well-posedness of the homogeneous linearized problem and the proof of a basic a priori energy estimate. The proof of the resolution of the nonlinear problem given in the present paper follows from the analysis of the elliptic system for the vacuum magnetic field, a suitable tame estimate in Sobolev spaces for the full linearized equations, and a Nash-Moser iteration.

Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields

NASA Astrophysics Data System (ADS)

Mainberger, Sebastian; Kindlein, Moritz; Bezold, Franziska; Elts, Ekaterina; Minceva, Mirjana; Briesen, Heiko

2017-06-01

Deep eutectic solvents (DES) have gained a reputation as inexpensive and easy to handle ionic liquid analogues. This work employs molecular dynamics (MD) to simulate a variety of DES. The hydrogen bond acceptor (HBA) choline chloride was paired with the hydrogen bond donors (HBD) glycerol, 1,4-butanediol, and levulinic acid. Levulinic acid was also paired with the zwitterionic HBA betaine. In order to evaluate the reliability of data MD simulations can provide for DES, two force fields were compared: the Merck Molecular Force Field and the General Amber Force Field with two different sets of partial charges for the latter. The force fields were evaluated by comparing available experimental thermodynamic and transport properties against simulated values. Structural analysis was performed on the eutectic systems and compared to non-eutectic compositions. All force fields could be validated against certain experimental properties, but performance varied depending on the system and property in question. While extensive hydrogen bonding was found for all systems, details about the contribution of individual groups strongly varied among force fields. Interaction potentials revealed that HBA-HBA interactions weaken linearly with increasing HBD ratio, while HBD-HBD interactions grew disproportionally in magnitude, which might hint at the eutectic composition of a system.

Laser Assisted Free-Free Transition in Electron - Atom Collision

NASA Technical Reports Server (NTRS)

Sinha, C.; Bhatia, A. K.

2011-01-01

Free-free transition is studied for electron-Hydrogen atom system in ground state at very low incident energies in presence of an external homogeneous, monochromatic and linearly polarized laser field. The incident electron is considered to be dressed by the laser in a non perturbative manner by choosing the Volkov solutions in both the channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the effect of electron exchange, short range as well as of the long range interactions. Laser assisted differential as well as elastic total cross sections are calculated for single photon absorption/emission in the soft photon limit, the laser intensity being much less than the atomic field intensity. A strong suppression is noted in the laser assisted cross sections as compared to the field free situations. Significant difference is noted in the singlet and the triplet cross sections.

Ubiquitous Instabilities of Dust Moving in Magnetized Gas

NASA Astrophysics Data System (ADS)

Hopkins, Philip F.; Squire, Jonathan

2018-06-01

Squire & Hopkins (2017) showed that coupled dust-gas mixtures are generically subject to "resonant drag instabilities" (RDIs), which drive violently-growing fluctuations in both. But the role of magnetic fields and charged dust has not yet been studied. We therefore explore the RDI in gas which obeys ideal MHD and is coupled to dust via both Lorentz forces and drag, with an external acceleration (e.g., gravity, radiation) driving dust drift through gas. We show this is always unstable, at all wavelengths and non-zero values of dust-to-gas ratio, drift velocity, dust charge, "stopping time" or drag coefficient (for any drag law), or field strength; moreover growth rates depend only weakly (sub-linearly) on these parameters. Dust charge and magnetic fields do not suppress instabilities, but give rise to a large number of new instability "families," each with distinct behavior. The "MHD-wave" (magnetosonic or Alfvén) RDIs exhibit maximal growth along "resonant" angles where the modes have a phase velocity matching the corresponding MHD wave, and growth rates increase without limit with wavenumber. The "gyro" RDIs are driven by resonances between drift and Larmor frequencies, giving growth rates sharply peaked at specific wavelengths. Other instabilities include "acoustic" and "pressure-free" modes (previously studied), and a family akin to cosmic ray instabilities which appear when Lorentz forces are strong and dust streams super-Alfvénically along field lines. We discuss astrophysical applications in the warm ISM, CGM/IGM, HII regions, SNe ejecta/remnants, Solar corona, cool-star winds, GMCs, and AGN.

Twisted versus braided magnetic flux ropes in coronal geometry. II. Comparative behaviour

NASA Astrophysics Data System (ADS)

Prior, C.; Yeates, A. R.

2016-06-01

Aims: Sigmoidal structures in the solar corona are commonly associated with magnetic flux ropes whose magnetic field lines are twisted about a mutual axis. Their dynamical evolution is well studied, with sufficient twisting leading to large-scale rotation (writhing) and vertical expansion, possibly leading to ejection. Here, we investigate the behaviour of flux ropes whose field lines have more complex entangled/braided configurations. Our hypothesis is that this internal structure will inhibit the large-scale morphological changes. Additionally, we investigate the influence of the background field within which the rope is embedded. Methods: A technique for generating tubular magnetic fields with arbitrary axial geometry and internal structure, introduced in part I of this study, provides the initial conditions for resistive-MHD simulations. The tubular fields are embedded in a linear force-free background, and we consider various internal structures for the tubular field, including both twisted and braided topologies. These embedded flux ropes are then evolved using a 3D MHD code. Results: Firstly, in a background where twisted flux ropes evolve through the expected non-linear writhing and vertical expansion, we find that flux ropes with sufficiently braided/entangled interiors show no such large-scale changes. Secondly, embedding a twisted flux rope in a background field with a sigmoidal inversion line leads to eventual reversal of the large-scale rotation. Thirdly, in some cases a braided flux rope splits due to reconnection into two twisted flux ropes of opposing chirality - a phenomenon previously observed in cylindrical configurations. Conclusions: Sufficiently complex entanglement of the magnetic field lines within a flux rope can suppress large-scale morphological changes of its axis, with magnetic energy reduced instead through reconnection and expansion. The structure of the background magnetic field can significantly affect the changing morphology of a flux rope.

Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear-Layer. Part 2

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Singer, Bart A.; Lockard, David P.

2002-01-01

Unsteady computational simulations of a multi-element, high-lift configuration are performed. Emphasis is placed on accurate spatiotemporal resolution of the free shear layer in the slat-cove region. The excessive dissipative effects of the turbulence model, so prevalent in previous simulations, are circumvented by switching off the turbulence-production term in the slat cove region. The justifications and physical arguments for taking such a step are explained in detail. The removal of this excess damping allows the shear layer to amplify large-scale structures, to achieve a proper non-linear saturation state, and to permit vortex merging. The large-scale disturbances are self-excited, and unlike our prior fully turbulent simulations, no external forcing of the shear layer is required. To obtain the farfield acoustics, the Ffowcs Williams and Hawkings equation is evaluated numerically using the simulated time-accurate flow data. The present comparison between the computed and measured farfield acoustic spectra shows much better agreement for the amplitude and frequency content than past calculations. The effect of the angle-of-attack on the slat's flow features radiated acoustic field are also simulated presented.

Folding Free Energy Landscape of the Decapeptide Chignolin

NASA Astrophysics Data System (ADS)

Dou, Xianghua; Wang, Jihua

Chignolin is an artificially designed ten-residue (GYDPETGTWG) folded peptide, which is the smallest protein and provides a good template for protein folding. In this work, we completed four explicit water molecular dynamics simulations of Chignolin folding using GROMOS and OPLS-AA force fields from extended initial states without any experiment informations. The four-folding free energy landscapes of the peptide has been drawn. The folded state of Chignolin has been successfully predicated based on the free energy landscapes. The four independent simulations gave similar results. (i) The four free energy landscapes have common characters. They are fairly smooth, barrierless, funnel-like and downhill without intermediate state, which consists with the experiment. (ii) The different extended initial structures converge at similar folded structures with the lowest free energy under GROMOS and OPLS-AA force fields. In the GROMOS force field, the backbone RMSD of the folded structures from the NMR native structure of Chignolin is only 0.114 nm, which is a stable structure in this force field. In the OPLS-AA force field, the similar results have been obtained. In addition, the smallest RMSD structure is in better agreement with the NMR native structure but unlikely stable in the force field.

Error analysis regarding the calculation of nonlinear force-free field

NASA Astrophysics Data System (ADS)

Liu, S.; Zhang, H. Q.; Su, J. T.

2012-02-01

Magnetic field extrapolation is an alternative method to study chromospheric and coronal magnetic fields. In this paper, two semi-analytical solutions of force-free fields (Low and Lou in Astrophys. J. 352:343, 1990) have been used to study the errors of nonlinear force-free (NLFF) fields based on force-free factor α. Three NLFF fields are extrapolated by approximate vertical integration (AVI) Song et al. (Astrophys. J. 649:1084, 2006), boundary integral equation (BIE) Yan and Sakurai (Sol. Phys. 195:89, 2000) and optimization (Opt.) Wiegelmann (Sol. Phys. 219:87, 2004) methods. Compared with the first semi-analytical field, it is found that the mean values of absolute relative standard deviations (RSD) of α along field lines are about 0.96-1.19, 0.63-1.07 and 0.43-0.72 for AVI, BIE and Opt. fields, respectively. While for the second semi-analytical field, they are about 0.80-1.02, 0.67-1.34 and 0.33-0.55 for AVI, BIE and Opt. fields, respectively. As for the analytical field, the calculation error of <| RSD|> is about 0.1˜0.2. It is also found that RSD does not apparently depend on the length of field line. These provide the basic estimation on the deviation of extrapolated field obtained by proposed methods from the real force-free field.

Three dimensional radiation fields in free electron lasers using Lienard-Wiechert fields

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

Elias, L.R.; Gallardo, J.

1981-10-28

In a free electron laser a relativistic electron beam is bunched under the action of the ponderomotive potential and is forced to radiate in close phase with the input wave. Until recently, most theories of the FEL have dealt solely with electron beams of infinite transverse dimension radiating only one-dimensional E.M. waves (plane waves). Although these theories describe accurately the dynamics of the electrons during the FEL interaction process, neither the three dimensional nature of the radiated fields nor its non-monochromatic features can be properly studied by them. As a result of this, very important practical issues such as themore » gain per gaussian-spherical optical mode in a free electron laser have not been well addressed, except through a one dimensional field model in which a filling factor describes crudely the coupling of the FEL induced field to the input field.« less

Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.

PubMed

Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui

2016-03-05

The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Skin Friction Reduction Through Large-Scale Forcing

NASA Astrophysics Data System (ADS)

Bhatt, Shibani; Artham, Sravan; Gnanamanickam, Ebenezer

2017-11-01

Flow structures in a turbulent boundary layer larger than an integral length scale (δ), referred to as large-scales, interact with the finer scales in a non-linear manner. By targeting these large-scales and exploiting this non-linear interaction wall shear stress (WSS) reduction of over 10% has been achieved. The plane wall jet (PWJ), a boundary layer which has highly energetic large-scales that become turbulent independent of the near-wall finer scales, is the chosen model flow field. It's unique configuration allows for the independent control of the large-scales through acoustic forcing. Perturbation wavelengths from about 1 δ to 14 δ were considered with a reduction in WSS for all wavelengths considered. This reduction, over a large subset of the wavelengths, scales with both inner and outer variables indicating a mixed scaling to the underlying physics, while also showing dependence on the PWJ global properties. A triple decomposition of the velocity fields shows an increase in coherence due to forcing with a clear organization of the small scale turbulence with respect to the introduced large-scale. The maximum reduction in WSS occurs when the introduced large-scale acts in a manner so as to reduce the turbulent activity in the very near wall region. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-16-1-0194 monitored by Dr. Douglas Smith.

Determination of Coronal Magnetic Fields from Vector Magnetograms

NASA Technical Reports Server (NTRS)

Mikic, Zoran

1997-01-01

During the course of the present contract we developed an 'evolutionary technique' for the determination of force-free coronal magnetic fields from vector magnetograph observations. The method can successfully generate nonlinear force- free fields (with non-constant-a) that match vector magnetograms. We demonstrated that it is possible to determine coronal magnetic fields from photospheric measurements, and we applied it to vector magnetograms of active regions. We have also studied theoretical models of coronal fields that lead to disruptions. Specifically, we have demonstrated that the determination of force-free fields from exact boundary data is a well-posed mathematical problem, by verifying that the computed coronal field agrees with an analytic force-free field when boundary data for the analytic field are used; demonstrated that it is possible to determine active-region coronal magnetic fields from photospheric measurements, by computing the coronal field above active region 5747 on 20 October 1989, AR6919 on 15 November 1991, and AR7260 on 18 August 1992, from data taken with the Stokes Polarimeter at Mees Solar Observatory, University of Hawaii; started to analyze active region 7201 on 19 June 1992 using measurements made with the Advanced Stokes Polarimeter at NSO/Sac Peak; investigated the effects of imperfections in the photospheric data on the computed coronal magnetic field; documented the coronal field structure of AR5747 and compared it to the morphology of footpoint emission in a flare, showing that the 'high- pressure' H-alpha footpoints are connected by coronal field lines; shown that the variation of magnetic field strength along current-carrying field lines is significantly different from the variation in a potential field, and that the resulting near-constant area of elementary flux tubes is consistent with observations; begun to develop realistic models of coronal fields which can be used to study flare trigger mechanisms; demonstrated that magnetic nonequilibrium can disrupt sheared coronal arcades, and that helmet streamers can disrupt, leading to coronal mass ejections. Our model has significantly extended the realism with which the coronal magnetic field can be inferred from actual observations. In a subsequent contract awarded by NASA, we have continued to apply and improve the evolutionary technique, to study the physical properties of active regions, and to develop theoretical models of magnetic fields.

Hydration Free Energy from Orthogonal Space Random Walk and Polarizable Force Field.

PubMed

Abella, Jayvee R; Cheng, Sara Y; Wang, Qiantao; Yang, Wei; Ren, Pengyu

2014-07-08

The orthogonal space random walk (OSRW) method has shown enhanced sampling efficiency in free energy calculations from previous studies. In this study, the implementation of OSRW in accordance with the polarizable AMOEBA force field in TINKER molecular modeling software package is discussed and subsequently applied to the hydration free energy calculation of 20 small organic molecules, among which 15 are positively charged and five are neutral. The calculated hydration free energies of these molecules are compared with the results obtained from the Bennett acceptance ratio method using the same force field, and overall an excellent agreement is obtained. The convergence and the efficiency of the OSRW are also discussed and compared with BAR. Combining enhanced sampling techniques such as OSRW with polarizable force fields is very promising for achieving both accuracy and efficiency in general free energy calculations.

FAST TRACK PAPER: Non-iterative multiple-attenuation methods: linear inverse solutions to non-linear inverse problems - II. BMG approximation

NASA Astrophysics Data System (ADS)

Ikelle, Luc T.; Osen, Are; Amundsen, Lasse; Shen, Yunqing

2004-12-01

The classical linear solutions to the problem of multiple attenuation, like predictive deconvolution, τ-p filtering, or F-K filtering, are generally fast, stable, and robust compared to non-linear solutions, which are generally either iterative or in the form of a series with an infinite number of terms. These qualities have made the linear solutions more attractive to seismic data-processing practitioners. However, most linear solutions, including predictive deconvolution or F-K filtering, contain severe assumptions about the model of the subsurface and the class of free-surface multiples they can attenuate. These assumptions limit their usefulness. In a recent paper, we described an exception to this assertion for OBS data. We showed in that paper that a linear and non-iterative solution to the problem of attenuating free-surface multiples which is as accurate as iterative non-linear solutions can be constructed for OBS data. We here present a similar linear and non-iterative solution for attenuating free-surface multiples in towed-streamer data. For most practical purposes, this linear solution is as accurate as the non-linear ones.

Force-Free Magnetic Fields on AN Extreme Reissner-Nordström Spacetime and the Meissner Effect

NASA Astrophysics Data System (ADS)

Takamori, Yousuke; Ken-Ichi, Nakao; Hideki, Ishihara; Masashi, Kimura; Chul-Moon, Yoo

It is known that the Meissner effect of black holes is seen in the vacuum solutions of blackhole magnetosphere: no non-monopole component of magnetic flux penetrates the event horizon if the black hole is extreme. In this article, in order to see the effects of charge currents, we study the force-free magnetic field on the extreme Reissner-Nordström background. In this case, we should solve one elliptic differential equation called the Grad-Shafranov equation which has singular points called light surfaces. In order to see the Meissner effect, we consider the region near the event horizon and try to solve the equation by Taylor expansion about the event horizon. Moreover, we assume that the small rotational velocity of the magnetic field, and then, we construct a perturbative method to solve the Grad-Shafranov equation considering the efftect of the inner light surface and study the behavior of the magnetic field near the event horizon.

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

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

Ghosh, Swarnava; Suryanarayana, Phanish, E-mail: phanish.suryanarayana@ce.gatech.edu

2016-02-15

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we develop a generalized framework for performing OF-DFT simulations with different variants of the electronic kinetic energy. In particular, we propose a self-consistent field (SCF) type fixed-point method for calculations involving linear-response kinetic energy functionals. In this framework, evaluation of both the electronic ground-state and forces on the nuclei are amenable to computations that scale linearly with the number of atoms. We develop a parallel implementation of this formulation using the finite-difference discretization.more » We demonstrate that higher-order finite-differences can achieve relatively large convergence rates with respect to mesh-size in both the energies and forces. Additionally, we establish that the fixed-point iteration converges rapidly, and that it can be further accelerated using extrapolation techniques like Anderson's mixing. We validate the accuracy of the results by comparing the energies and forces with plane-wave methods for selected examples, including the vacancy formation energy in Aluminum. Overall, the suitability of the proposed formulation for scalable high performance computing makes it an attractive choice for large-scale OF-DFT calculations consisting of thousands of atoms.« less

Non-linear wave interaction in a magnetoplasma column. I - Theory. II Experiment

NASA Technical Reports Server (NTRS)

Larsen, J.-M.; Crawford, F. W.

1979-01-01

The paper presents an analysis of non-linear three-wave interaction for propagation along a cylindrical plasma column surrounded either by a metallic boundary, or by an infinite dielectric, and immersed in an infinite, static, axial magnetic field. An averaged Lagrangian method is used and the results are specialized to parametric amplification and mode conversion, assuming an undepleted pump wave. Computations are presented for a magneto-plasma column surrounded by free space, indicating that parametric growth rates of the order of a fraction of a decibel per centimeter should be obtainable for plausible laboratory plasma parameters. In addition, experiments on non-linear mode conversion in a cylindrical magnetoplasma column are described. The results are compared with the theoretical predictions and good qualitative agreement is demonstrated.

Fresnel formulas for the forced electromagnetic pulses and their application for optical-to-terahertz conversion in nonlinear crystals.

PubMed

Bakunov, M I; Maslov, A V; Bodrov, S B

2007-11-16

We show that the usual Fresnel formulas for a free-propagating pulse are not applicable for a forced terahertz electromagnetic pulse supported by an optical pulse at the end of a nonlinear crystal. The correct linear reflection and transmission coefficients that we derive show that such pulses can experience a gain or loss at the boundary. This energy change depends on linear dielectric constants only. We also predict a regime where a complete disappearance of the forced pulse under oblique incidence occurs, an effect that has no counterpart for free-propagating pulses.

Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent.

PubMed

Rodriguez, Alex; Mokoema, Pol; Corcho, Francesc; Bisetty, Khrisna; Perez, Juan J

2011-02-17

The prediction capabilities of atomistic simulations of peptides are hampered by different difficulties, including the reliability of force fields, the treatment of the solvent or the adequate sampling of the conformational space. In this work, we have studied the conformational profile of the 10 residue miniprotein CLN025 known to exhibit a β-hairpin in its native state to understand the limitations of implicit methods to describe solvent effects and how these may be compensated by using different force fields. For this purpose, we carried out a thorough sampling of the conformational space of CLN025 in explicit solvent using the replica exchange molecular dynamics method as a sampling technique and compared the results with simulations of the system modeled using the analytical linearized Poisson-Boltzmann (ALPB) method with three different AMBER force fields: parm94, parm96, and parm99SB. The results show the peptide to exhibit a funnel-like free energy landscape with two minima in explicit solvent. In contrast, the higher minimum nearly disappears from the energy surface when the system is studied with an implicit representation of the solvent. Moreover, the different force fields used in combination with the ALPB method do not describe the system in the same manner. The results of this work suggest that the balance between intra- and intermolecular interactions is the cause of the differences between implicit and explicit solvent simulations in this system, stressing the role of the environment to define properly the conformational profile of a peptide in solution.

On the theory of Lorentz gases with long range interactions

NASA Astrophysics Data System (ADS)

Nota, Alessia; Simonella, Sergio; Velázquez, Juan J. L.

We construct and study the stochastic force field generated by a Poisson distribution of sources at finite density, x1,x2,…, in ℝ3 each of them yielding a long range potential QiΦ(x - xi) with possibly different charges Qi ∈ ℝ. The potential Φ is assumed to behave typically as |x|-s for large |x|, with s > 1/2. We will denote the resulting random field as “generalized Holtsmark field”. We then consider the dynamics of one tagged particle in such random force fields, in several scaling limits where the mean free path is much larger than the average distance between the scatterers. We estimate the diffusive time scale and identify conditions for the vanishing of correlations. These results are used to obtain appropriate kinetic descriptions in terms of a linear Boltzmann or Landau evolution equation depending on the specific choices of the interaction potential.

Noise induced aperiodic rotations of particles trapped by a non-conservative force

NASA Astrophysics Data System (ADS)

Ortega-Piwonka, Ignacio; Angstmann, Christopher N.; Henry, Bruce I.; Reece, Peter J.

2018-04-01

We describe a mechanism whereby random noise can play a constructive role in the manifestation of a pattern, aperiodic rotations, that would otherwise be damped by internal dynamics. The mechanism is described physically in a theoretical model of overdamped particle motion in two dimensions with symmetric damping and a non-conservative force field driven by noise. Cyclic motion only occurs as a result of stochastic noise in this system. However, the persistence of the cyclic motion is quantified by parameters associated with the non-conservative forcing. Unlike stochastic resonance or coherence resonance, where noise can play a constructive role in amplifying a signal that is otherwise below the threshold for detection, in the mechanism considered here, the signal that is detected does not exist without the noise. Moreover, the system described here is a linear system.

How Well Can the Observed Flux Ropes in the Solar Wind be Fitted by a Uniform-twist Flux Rope Model?

NASA Astrophysics Data System (ADS)

Wang, Y.

2015-12-01

In the solar wind, flux ropes, e.g., magnetic clouds (MCs), are a frequently observational phenomenon. Their magnetic field configuration or the way that the field lines wind around the flux rope axis is one of the most important information to understand the formation and evolution of the observed flux ropes. Most MCs are believed to be in the force-free state, and widely modeled by the Lundquist force-free solution, in which the twist of the field line increases from zero at the axis to infinity at the boundary. However, Lundquist solution is not the only form of a force-free magnetic field. Some studies based on suprathermal electron observations and models have shown that MCs may carry magnetic field lines more likely to be uniformly twisted. The nonlinear force-free field extrapolation of solar magnetic field also suggests that the field lines of a flux rope twist limitedly. In this study, we have developed a velocity-modified uniform-twist force-free flux rope model, and fit observed MCs with this model. By using this approach, we test how well the observed MCs can be fitted into a uniform-twist flux rope. Some interesting results will be given in this presentation.

Energy buildup in sheared force-free magnetic fields

NASA Technical Reports Server (NTRS)

Wolfson, Richard; Low, Boon C.

1992-01-01

Photospheric displacement of the footpoints of solar magnetic field lines results in shearing and twisting of the field, and consequently in the buildup of electric currents and magnetic free energy in the corona. The sudden release of this free energy may be the origin of eruptive events like coronal mass ejections, prominence eruptions, and flares. An important question is whether such an energy release may be accompanied by the opening of magnetic field lines that were previously closed, for such open field lines can provide a route for matter frozen into the field to escape the sun altogether. This paper presents the results of numerical calculations showing that opening of the magnetic field is permitted energetically, in that it is possible to build up more free energy in a sheared, closed, force-free magnetic field than is in a related magnetic configuration having both closed and open field lines. Whether or not the closed force-free field attains enough energy to become partially open depends on the form of the shear profile; the results presented compare the energy buildup for different shear profiles. Implications for solar activity are discussed briefly.

Rock magnetic properties of dusty olivine: comparison and calibration of non-heating paleointensity methods

NASA Astrophysics Data System (ADS)

Lappe, S. L.; Harrison, R. J.; Feinberg, J. M.

2012-12-01

The mechanism of chondrule formation is an important outstanding question in cosmochemistry. Magnetic signals recorded by Fe-Ni nanoparticles in chondrules could carry clues to their origin. Recently, research in this area has focused on 'dusty olivine' in ordinary chondrites as potential carriers of pre-accretionary remanence. Dusty olivine is characterised by the presence of sub-micron Fe-Ni inclusions within the olivine host. These metal particles form via subsolidus reduction of the olivine during chondrule formation and are thought to be protected from subsequent chemical and thermal alteration by the host olivine. Three sets of synthetic dusty olivines have been produced, using natural olivine (average Ni-content of 0.3 wt%), synthetic Ni-containing olivine (0.1wt% Ni) and synthetic Ni-free olivine as starting materials. The starting materials were ground to powders, packed into a 8-27 mm3 graphite crucible, heated up to 1350°C under a pure CO gas flow and kept at this temperature for 10 minutes. After this the samples were held in fixed orientation and quenched into water in a range of known magnetic fields from 0.2 mT to 1.5 mT. We present a comparison of all non-heating methods commonly used for paleointensity determination of extraterrestrial material. All samples showed uni-directional, single-component demagnetization behaviour. Saturation REM ratio (NRM/SIRM) and REMc ratio show non-linear behaviour as function of applied field and a saturation value < 1. Using the REM' method the samples showed approximately constant REM' between 100 and 150 mT AF-field. Plotting the average values for this field range again shows non-linear behaviour and a saturation value < 1. Another approach we examined to obtain calibration curves for paleointensity determination is based on ARM measurents. We also present an analysis of a new FORC-based method of paleointensity determination applied to metallic Fe-bearing samples [1, 2]. The method uses a first-order reversal curve (FORC) diagram to generate a Preisach distribution of coercivities and interaction fields within the sample and then physically models the acquisition of TRM as function of magnetic field, temperature and time using thermal relaxation theory. The comparison of observed and calculated NRM demagnetisation spectra is adversely effected by a large population of particles in the single-vortex state. Comparison of observed and calculated REM' curves, however, yields much closer agreement in the high-coercivity SD-dominated range. Calculated values of the average REM' ratio show excellent agreement with the experimental values - including the observed non-linearity of the remanence acquisition curve - suggesting that this method has the potential to reduce the uncertainties in non-heating paleointensity methods for extraterrestrial samples. [1] AR Muxworthy and D Heslop(2011) A Preisach method for estimating absolute paleofield intensity under the constraint of using only isothermal measurements: 1. Theoretical framework. Journal of Geophysical Research, 116, B04102, doi:10.1029/2010JB007843. [2] AR Muxworthy, D Heslop, GA Paterson, and D Michalk. A Preisach method for estimating absolute paleofield intensity under the constraint of using only isothermal measurements: 2. Experimental testing. Journal of Geophysical Research, 116, B04103, doi:10.1029/2010JB007844.

A Large Signal Model for CMUT Arrays with Arbitrary Membrane Geometries Operating in Non-Collapsed Mode

PubMed Central

Satir, Sarp; Zahorian, Jaime; Degertekin, F. Levent

2014-01-01

A large signal, transient model has been developed to predict the output characteristics of a CMUT array operated in the non-collapse mode. The model is based on separation of the nonlinear electrostatic voltage-to-force relation and the linear acoustic array response. For linear acoustic radiation and crosstalk effects, the boundary element method is used. The stiffness matrix in the vibroacoustics calculations is obtained using static finite element analysis of a single membrane which can have arbitrary geometry and boundary conditions. A lumped modeling approach is used to reduce the order of the system for modeling the transient nonlinear electrostatic actuation. To accurately capture the dynamics of the non-uniform electrostatic force distribution over the CMUT electrode during large deflections, the membrane electrode is divided into patches shaped to match higher order membrane modes, each introducing a variable to the system model. This reduced order nonlinear lumped model is solved in the time domain using Simulink. The model has two linear blocks to calculate the displacement profile of the electrode patches and the output pressure for a given force distribution over the array, respectively. The force to array displacement block uses the linear acoustic model, and the Rayleigh integral is evaluated to calculate the pressure at any field point. Using the model, the transient transmitted pressure can be simulated for different large signal drive signal configurations. The acoustic model is verified by comparison to harmonic FEA in vacuum and fluid for high and low aspect ratio membranes as well as mass-loaded membranes. The overall Simulink model is verified by comparison to transient 3D FEA and experimental results for different large drive signals; and an example for a phased array simulation is given. PMID:24158297

A Study on the Effects of J2 Perturbations on a Drag-Free Control System for Spacecraft in Low Earth Orbit

NASA Technical Reports Server (NTRS)

Vess, Melissa Fleck; Starin, Scott R.

2003-01-01

Low Earth Orbit (LEO) missions provide a unique means of gathering information about many of Earth s aspects such as climate, atmosphere, and gravitational field. Among the greatest challenges of LEO missions are designing, predicting, and maintaining the spacecraft orbit. The predominant perturbative forces acting on a spacecraft in LEO are J2 and higher order gravitational components, the effects of which are fairly easy to predict, and atmospheric drag, which causes the greatest uncertainty in predicting spacecraft ephemeris. The continuously varying atmospheric drag requires increased spacecraft tracking in order to accurately predict spacecraft location. In addition, periodic propulsive maneuvers typically must be planned and performed to counteract the effects of drag on the spacecraft orbit. If the effects of drag could be continuously and autonomously counteracted, the uncertainty in ephemeris due to atmospheric drag would essentially be eliminated from the spacecraft dynamics. One method of autonomous drag compensation that has been implemented on some missions is drag-free control. Drag-free control of a spacecraft was initially proposed in the 1960's and is discussed extensively by Lange. His drag-free control architecture consists of a free-floating proof mass enclosed within a spacecraft, isolating it from external disturbance forces such as atmospheric drag and solar radiation pressure. Under ideal conditions, internal disturbance forces can be ignored or mitigated, and the orbit of the proof mass depends only on gravitational forces. A sensor associated with the proof mass senses the movement of the spacecraft relative to the proof mass. Using the sensor measurements, the spacecraft is forced to follow the orbit of the proof mass by using low thrust propulsion, thus counteracting any non-gravitational disturbance forces. If the non-gravitational disturbance forces are successfully removed, the spacecraft s orbit will be affected only by well-known gravitational forces and will thus be easier to predict.

Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC

PubMed Central

2017-01-01

We have calculated the excess free energy of mixing of 1053 binary mixtures with the OPLS-AA force field using two different methods: thermodynamic integration (TI) of molecular dynamics simulations and the Pair Configuration to Molecular Activity Coefficient (PAC-MAC) method. PAC-MAC is a force field based quasi-chemical method for predicting miscibility properties of various binary mixtures. The TI calculations yield a root mean squared error (RMSE) compared to experimental data of 0.132 kBT (0.37 kJ/mol). PAC-MAC shows a RMSE of 0.151 kBT with a calculation speed being potentially 1.0 × 104 times greater than TI. OPLS-AA force field parameters are optimized using PAC-MAC based on vapor–liquid equilibrium data, instead of enthalpies of vaporization or densities. The RMSE of PAC-MAC is reduced to 0.099 kBT by optimizing 50 force field parameters. The resulting OPLS-PM force field has a comparable accuracy as the OPLS-AA force field in the calculation of mixing free energies using TI. PMID:28418655

Simulation of stochastic wind action on transmission power lines

NASA Astrophysics Data System (ADS)

Wielgos, Piotr; Lipecki, Tomasz; Flaga, Andrzej

2018-01-01

The paper presents FEM analysis of the wind action on overhead transmission power lines. The wind action is based on a stochastic simulation of the wind field in several points of the structure and on the wind tunnel tests on aerodynamic coefficients of the single conductor consisting of three wires. In FEM calculations the section of the transmission power line composed of three spans is considered. Non-linear analysis with deadweight of the structure is performed first to obtain the deformed shape of conductors. Next, time-dependent wind forces are applied to respective points of conductors and non-linear dynamic analysis is carried out.

Numerical Investigation of Force-Free Magnetophoresis of Nonspherical Microparticles

NASA Astrophysics Data System (ADS)

Zhang, Jie; Wang, Cheng

2017-11-01

Our group recently demonstrated novel force-free magnetophoresis to separate nonspherical particles by shape. In this approach, a uniform magnetic field is used to generate a magnetic torque, which breaks the rotational symmetry of the particles and leads to shape-dependent lateral migration of the particles. We use direct numerical simulations to gain a better understanding of this magnetophoresis mechanism by focusing on ellipsoidal microparticles - a representative type of nonspherical particles encountered in biomedical engineering. We study key effects that influence the rotational and translational behaviors, including particle-wall separation distance, direction and strength of the magnetic field, particle aspect ratio and size. The numerical results show that the lateral migration is negligible in the absence of the magnetic field. When the magnetic field is applied, the particles migrate laterally. The migration direction depends on the direction of external magnetic fields, which controls the symmetry property of the particle rotation. These findings agree well with experiments. Our numerical simulations yield a comprehensive understanding of particle migration mechanism, and provide useful guidelines on design of separating devices for non-spherical micro-particles.

Kinetic field theory: exact free evolution of Gaussian phase-space correlations

NASA Astrophysics Data System (ADS)

Fabis, Felix; Kozlikin, Elena; Lilow, Robert; Bartelmann, Matthias

2018-04-01

In recent work we developed a description of cosmic large-scale structure formation in terms of non-equilibrium ensembles of classical particles, with time evolution obtained in the framework of a statistical field theory. In these works, the initial correlations between particles sampled from random Gaussian density and velocity fields have so far been treated perturbatively or restricted to pure momentum correlations. Here we treat the correlations between all phase-space coordinates exactly by adopting a diagrammatic language for the different forms of correlations, directly inspired by the Mayer cluster expansion. We will demonstrate that explicit expressions for phase-space density cumulants of arbitrary n-point order, which fully capture the non-linear coupling of free streaming kinematics due to initial correlations, can be obtained from a simple set of Feynman rules. These cumulants will be the foundation for future investigations of perturbation theory in particle interactions.

Micromagnetics and second-order reversal-curves as a route to understanding FORC diagrams of nanoparticles

NASA Astrophysics Data System (ADS)

Winklhofer, M.

2007-05-01

First-order-reversal curve (FORC) diagrams have proven useful in characterizing fine magnetic particle systems in terms of microscopic switching field distributions, characteristic interaction strengths and mean-field effects. Despite the profusion of measured FORC data, we still lack a simple, generally valid recipe for the quantitative analysis of FORC diagrams, the reason being that most samples do not act like classical linear Preisach systems, giving rise to reversible magnetization changes that tend to blur contributions from irreversible switching events. A good example illustrating the confounding influence of reversible contributions are FORC diagrams for particle systems in which vortex configurations occur as remanent states. For non-interacting Fe nanodots with well-defined grain sizes around the zero-field SD/PSD transition and random easy-axis orientation, we will show how a combination of micromagnetic modelling and second-order- reversal-curves can be used to disentangle reversible and irreversible contributions to the FORC diagram. It will also be shown that remanence-based Preisach diagrams do not fully capture the irreversible parts.

Non-linear feedback control of the p53 protein-mdm2 inhibitor system using the derivative-free non-linear Kalman filter.

PubMed

Rigatos, Gerasimos G

2016-06-01

It is proven that the model of the p53-mdm2 protein synthesis loop is a differentially flat one and using a diffeomorphism (change of state variables) that is proposed by differential flatness theory it is shown that the protein synthesis model can be transformed into the canonical (Brunovsky) form. This enables the design of a feedback control law that maintains the concentration of the p53 protein at the desirable levels. To estimate the non-measurable elements of the state vector describing the p53-mdm2 system dynamics, the derivative-free non-linear Kalman filter is used. Moreover, to compensate for modelling uncertainties and external disturbances that affect the p53-mdm2 system, the derivative-free non-linear Kalman filter is re-designed as a disturbance observer. The derivative-free non-linear Kalman filter consists of the Kalman filter recursion applied on the linearised equivalent of the protein synthesis model together with an inverse transformation based on differential flatness theory that enables to retrieve estimates for the state variables of the initial non-linear model. The proposed non-linear feedback control and perturbations compensation method for the p53-mdm2 system can result in more efficient chemotherapy schemes where the infusion of medication will be better administered.

Generating a stationary infinite range tractor force via a multimode optical fibre

NASA Astrophysics Data System (ADS)

Ebongue, C. A.; Holzmann, D.; Ostermann, S.; Ritsch, H.

2017-06-01

Optical fibres confine and guide light almost unattenuated and thus convey light forces to polarizable nano-particles over very long distances. Radiation pressure forces arise from scattering of guided photons into free space while gradient forces are based on coherent scattering between different fibre modes or propagation directions. Interestingly, even scattering between co-propagating modes induces longitudinal forces as the transverse confinement of the light modes creates mode dependent longitudinal wave-vectors and photon momenta. We generalize a proven scattering matrix based approach to calculate single as well as inter-particle forces to include several forward and backward propagating modes. We show that an injection of the higher order mode only in a two mode fibre will induce a stationary tractor force against the injection direction, when the mode coupling to the lower order mode dominates against backscattering and free space losses. Generically this arises for non-absorbing particles at the centre of a waveguide. The model also gives improved predictions for inter-particle forces in evanescent nanofibre fields as experimentally observed recently. Surprisingly strong tractor forces can also act on whole optically bound arrays.

On the numerical computation of nonlinear force-free magnetic fields. [from solar photosphere

NASA Technical Reports Server (NTRS)

Wu, S. T.; Sun, M. T.; Chang, H. M.; Hagyard, M. J.; Gary, G. A.

1990-01-01

An algorithm has been developed to extrapolate nonlinear force-free magnetic fields from the photosphere, given the proper boundary conditions. This paper presents the results of this work, describing the mathematical formalism that was developed, the numerical techniques employed, and comments on the stability criteria and accuracy developed for these numerical schemes. An analytical solution is used for a benchmark test; the results show that the computational accuracy for the case of a nonlinear force-free magnetic field was on the order of a few percent (less than 5 percent). This newly developed scheme was applied to analyze a solar vector magnetogram, and the results were compared with the results deduced from the classical potential field method. The comparison shows that additional physical features of the vector magnetogram were revealed in the nonlinear force-free case.

Sharp magnetic structures from dynamos with density stratification

NASA Astrophysics Data System (ADS)

Jabbari, Sarah; Brandenburg, Axel; Kleeorin, Nathan; Rogachevskii, Igor

2017-05-01

Recent direct numerical simulations (DNS) of large-scale turbulent dynamos in strongly stratified layers have resulted in surprisingly sharp bipolar structures at the surface. Here, we present new DNS of helically and non-helically forced turbulence with and without rotation and compare with corresponding mean-field simulations (MFS) to show that these structures are a generic outcome of a broader class of dynamos in density-stratified layers. The MFS agree qualitatively with the DNS, but the period of oscillations tends to be longer in the DNS. In both DNS and MFS, the sharp structures are produced by converging flows at the surface and might be driven in non-linear stage of evolution by the Lorentz force associated with the large-scale dynamo-driven magnetic field if the dynamo number is at least 2.5 times supercritical.

Was Newton right? A search for non-Newtonian behavior of weak-field gravity

NASA Astrophysics Data System (ADS)

Boynton, Paul; Moore, Michael; Newman, Riley; Berg, Eric; Bonicalzi, Ricco; McKenney, Keven

2014-06-01

Empirical tests of Einstein's metric theory of gravitation, even in the non-relativistic, weak-field limit, could play an important role in judging theory-driven extensions of the current Standard Model of fundamental interactions. Guided by Galileo's work and his own experiments, Newton formulated a theory of gravity in which the force of attraction between two bodies is independent of composition and proportional to the inertia of each, thereby transparently satisfying Galileo's empirically informed conjecture regarding the Universality of Free Fall. Similarly, Einstein honored the manifest success of Newton's theory by assuring that the linearized equations of GTR matched the Newtonian formalism under "classical" conditions. Each of these steps, however, was explicitly an approximation raised to the status of principle. Perhaps, at some level, Newtonian gravity does not accurately describe the physical interaction between uncharged, unmagnetized, macroscopic bits of ordinary matter. What if Newton were wrong? Detecting any significant deviation from Newtonian behavior, no matter how small, could provide new insights and possibly reveal new physics. In the context of physics as an empirical science, for us this yet unanswered question constitutes sufficient motivation to attempt precision measurements of the kind described here. In this paper we report the current status of a project to search for violation of the Newtonian inverse square law of gravity.

Theoretical analysis of non-linear Joule heating effects over an electro-thermal patterned flow

NASA Astrophysics Data System (ADS)

Sanchez, Salvador; Ascanio, Gabriel; Mendez, Federico; Bautista, Oscar

2017-11-01

In this work, non-linear Joule heating effects for electro-thermal patterned flows driven inside of a slit microchannel are analyzed. Here, the movement of fluids is controlled by placing electro-thermal forces, which are generated through an imposed longitudinal electric field, E0, and the wall electric potential produced by electrodes inserted along the surface of the microchannel wall, ζ. For this analysis, viscosity and electrical conductivity of fluids are included as known functions, which depend on the temperature; therefore, in order to determine the flow, temperature and electric potential fields together with its simultaneous interactions, the equations of continuity, momentum, energy, charges distribution and electrical current have to be solved in a coupled manner. The main results obtained in the study reveal that with the presence of thermal gradients along of the microchannel, local electro-thermal forces, Fχ, are affected in a sensible manner, and consequently, the flow field is modified substantially, causing the interruption or intensification of recirculations along of the microchannel. This work was supported by the Fondo SEP-CONACYT through research Grants No. 220900 and 20171181 from SIP-IPN. F. Mendez acknowledges support from PAPIIT-UNAM under Contract Number IN112215. S. Sanchez thanks to DGAPA-UNAM for the postdoctoral fellowship.

Design and modeling of magnetically driven electric-field sensor for non-contact DC voltage measurement in electric power systems.

PubMed

Wang, Decai; Li, Ping; Wen, Yumei

2016-10-01

In this paper, the design and modeling of a magnetically driven electric-field sensor for non-contact DC voltage measurement are presented. The magnetic drive structure of the sensor is composed of a small solenoid and a cantilever beam with a cylindrical magnet mounted on it. The interaction of the magnet and the solenoid provides the magnetic driving force for the sensor. Employing magnetic drive structure brings the benefits of low driving voltage and large vibrating displacement, which consequently results in less interference from the drive signal. In the theoretical analyses, the capacitance calculation model between the wire and the sensing electrode is built. The expression of the magnetic driving force is derived by the method of linear fitting. The dynamical model of the magnetic-driven cantilever beam actuator is built by using Euler-Bernoulli theory and distributed parameter method. Taking advantage of the theoretical model, the output voltage of proposed sensor can be predicted. The experimental results are in good agreement with the theoretical results. The proposed sensor shows a favorable linear response characteristic. The proposed sensor has a measuring sensitivity of 9.87 μV/(V/m) at an excitation current of 37.5 mA. The electric field intensity resolution can reach 10.13 V/m.

Scaffold-free, label-free and nozzle-free biofabrication technology using magnetic levitational assembly.

PubMed

Parfenov, Vladislav A; Koudan, Elizaveta V; Bulanova, Elena A; Karalkin, Pavel A; Pereira, Frederico DAS; Norkin, Nikita E; Knyazeva, Alisa D; Gryadunova, Anna A; Petrov, Oleg F; Vasiliev, M M; Myasnikov, Maxim; Chernikov, Valery P; Kasyanov, Vladimir A; Marchenkov, Artem Yu; Brakke, Kenneth A; Khesuani, Yusef D; Demirci, Utkan; Mironov, Vladimir A

2018-05-31

Tissue spheroids have been proposed as building blocks in 3D biofabrication. Conventional magnetic force-driven 2D patterning of tissue spheroids requires prior cell labeling by magnetic nanoparticles, meanwhile a label-free approach for 3D magnetic levitational assembly has been introduced. Here we present first-time report on rapid assembly of 3D tissue construct using scaffold-free, nozzle-free and label-free magnetic levitation of tissue spheroids. Chondrospheres of standard size, shape and capable to fusion have been biofabricated from primary sheep chondrocytes using non-adhesive technology. Label-free magnetic levitation was performed using a prototype device equipped with permanent magnets in presence of gadolinium (Gd3+) in culture media, which enables magnetic levitation. Mathematical modeling and computer simulations were used for prediction of magnetic field and kinetics of tissue spheroids assembly into 3D tissue constructs. First, we used polystyrene beads to simulate the assembly of tissue spheroids and to determine the optimal settings for magnetic levitation in presence of Gd3+. Second, we proved the ability of chondrospheres to assemble rapidly into 3D tissue construct in the permanent magnetic field in the presence of Gd3+. Thus, scaffold- and label-free magnetic levitation of tissue spheroids is a promising approach for rapid 3D biofabrication and attractive alternative to label-based magnetic force-driven tissue engineering. . © 2018 IOP Publishing Ltd.

Filament cooling and condensation in a sheared magnetic field

NASA Technical Reports Server (NTRS)

Van Hoven, Gerard

1990-01-01

Thermal instability driven by optically thin radiation in the corona is believed to initiate the formation of solar filaments. The fact that filaments are observed generally to separate regions of opposite, line-of-sight, magnetic polarity in the differentially rotating photosphere suggests that filament formation requires the presence of a highly sheared magnetic field. The coupled energetics and dynamics of the most important condensation modes, those due to perpendicular thermal conduction at short wavelengths are discussed. Linear structure in the sheared field and their growth rates is described, and 2D, nonlinear, MHD simulations of the evolution of these modes in a force-free field are conducted. The simulations achieve the fine thermal structures, minimum temperatures and maximum densities characteristic of observed solar filaments.

Non-Contact Thrust Stand Calibration Method for Repetitively-Pulsed Electric Thrusters

NASA Technical Reports Server (NTRS)

Wong, Andrea R.; Toftul, Alexandra; Polzin, Kurt A.; Pearson, J. Boise

2011-01-01

A thrust stand calibration technique for use in testing repetitively-pulsed electric thrusters for in-space propulsion has been developed and tested using a modified hanging pendulum thrust stand. In the implementation of this technique, current pulses are applied to a solenoidal coil to produce a pulsed magnetic field that acts against the magnetic field produced by a permanent magnet mounted to the thrust stand pendulum arm. The force on the magnet is applied in this non-contact manner, with the entire pulsed force transferred to the pendulum arm through a piezoelectric force transducer to provide a time-accurate force measurement. Modeling of the pendulum arm dynamics reveals that after an initial transient in thrust stand motion the quasisteady average deflection of the thrust stand arm away from the unforced or zero position can be related to the average applied force through a simple linear Hooke s law relationship. Modeling demonstrates that this technique is universally applicable except when the pulsing period is increased to the point where it approaches the period of natural thrust stand motion. Calibration data were obtained using a modified hanging pendulum thrust stand previously used for steady-state thrust measurements. Data were obtained for varying impulse bit at constant pulse frequency and for varying pulse frequency. The two data sets exhibit excellent quantitative agreement with each other as the constant relating average deflection and average thrust match within the errors on the linear regression curve fit of the data. Quantitatively, the error on the calibration coefficient is roughly 1% of the coefficient value.

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro, E-mail: zvlah@stanford.edu, E-mail: mwhite@berkeley.edu, E-mail: aviles@berkeley.edu

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The 'new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. All the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

2015-09-02

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

Topological and statistical properties of nonlinear force-free fields

NASA Astrophysics Data System (ADS)

Mangalam, A.; Prasad, A.

2018-01-01

We use our semi-analytic solution of the nonlinear force-free field equation to construct three-dimensional magnetic fields that are applicable to the solar corona and study their statistical properties for estimating the degree of braiding exhibited by these fields. We present a new formula for calculating the winding number and compare it with the formula for the crossing number. The comparison is shown for a toy model of two helices and for realistic cases of nonlinear force-free fields; conceptually the formulae are nearly the same but the resulting distributions calculated for a given topology can be different. We also calculate linkages, which are useful topological quantities that are independent measures of the contribution of magnetic braiding to the total free energy and relative helicity of the field. Finally, we derive new analytical bounds for the free energy and relative helicity for the field configurations in terms of the linking number. These bounds will be of utility in estimating the braided energy available for nano-flares or for eruptions.

Research on parallel load sharing principle of piezoelectric six-dimensional heavy force/torque sensor

NASA Astrophysics Data System (ADS)

Liu, Wei; Li, Ying-jun; Jia, Zhen-yuan; Zhang, Jun; Qian, Min

2011-01-01

In working process of huge heavy-load manipulators, such as the free forging machine, hydraulic die-forging press, forging manipulator, heavy grasping manipulator, large displacement manipulator, measurement of six-dimensional heavy force/torque and real-time force feedback of the operation interface are basis to realize coordinate operation control and force compliance control. It is also an effective way to raise the control accuracy and achieve highly efficient manufacturing. Facing to solve dynamic measurement problem on six-dimensional time-varying heavy load in extremely manufacturing process, the novel principle of parallel load sharing on six-dimensional heavy force/torque is put forward. The measuring principle of six-dimensional force sensor is analyzed, and the spatial model is built and decoupled. The load sharing ratios are analyzed and calculated in vertical and horizontal directions. The mapping relationship between six-dimensional heavy force/torque value to be measured and output force value is built. The finite element model of parallel piezoelectric six-dimensional heavy force/torque sensor is set up, and its static characteristics are analyzed by ANSYS software. The main parameters, which affect load sharing ratio, are analyzed. The experiments for load sharing with different diameters of parallel axis are designed. The results show that the six-dimensional heavy force/torque sensor has good linearity. Non-linearity errors are less than 1%. The parallel axis makes good effect of load sharing. The larger the diameter is, the better the load sharing effect is. The results of experiments are in accordance with the FEM analysis. The sensor has advantages of large measuring range, good linearity, high inherent frequency, and high rigidity. It can be widely used in extreme environments for real-time accurate measurement of six-dimensional time-varying huge loads on manipulators.

Weber's gravitational force as static weak field approximation

NASA Astrophysics Data System (ADS)

Tiandho, Yuant

2016-02-01

Weber's gravitational force (WGF) is one of gravitational model that can accommodate a non-static system because it depends not only on the distance but also on the velocity and the acceleration. Unlike Newton's law of gravitation, WGF can predict the anomalous of Mercury and gravitational bending of light near massive object very well. Then, some researchers use WGF as an alternative model of gravitation and propose a new mechanics theory namely the relational mechanics theory. However, currently we have known that the theory of general relativity which proposed by Einstein can explain gravity with very accurate. Through the static weak field approximation for the non-relativistic object, we also have known that the theory of general relativity will reduce to Newton's law of gravity. In this work, we expand the static weak field approximation that compatible with relativistic object and we obtain a force equation which correspond to WGF. Therefore, WGF is more precise than Newton's gravitational law. The static-weak gravitational field that we used is a solution of the Einstein's equation in the vacuum that satisfy the linear field approximation. The expression of WGF with ξ = 1 and satisfy the requirement of energy conservation are obtained after resolving the geodesic equation. By this result, we can conclude that WGF can be derived from the general relativity.

Development of a piezo-actuated micro-teleoperation system for cell manipulation.

PubMed

Zareinejad, M; Rezaei, S M; Abdullah, A; Shiry Ghidary, S

2009-03-01

Intracytoplasmic sperm injection (ICSI) requires long training and has low success rates, primarily due to poor control over the injection force. Making force feedback available to the operator will improve the success rate of the injection task. A macro-micro-teleoperation system bridges the gap between the task performed at the micro-level and the macroscopic movements of the operator. The teleoperation slave manipulator should accurately position a needle to precisely penetrate a cell membrane. Piezoelectric actuators are widely used in micromanipulation applications; however, hysteresis non-linearity limits the accuracy of these actuators. This paper presents a novel approach for utilizing a piezoelectric nano-stage as slave manipulator of a teleoperation system. The Prandtl-Ishlinskii (PI) model is used to model actuator hysteresis in a feedforward scheme to cancel out this non-linearity. To deal with the influence of parametric uncertainties, unmodelled dynamics and PI identification error, a perturbation term is added to the slave model and applies a sliding mode-based impedance control with perturbation estimation. The stability of entire system is guaranteed by Llewellyn's absolute stability criterion. The performance of the proposed controller was investigated through experiments for cell membrane penetration. The experimental results verified the accurate position tracking in free motion and simultaneous position and force tracking in contact with a low stiffness environment.

A Bidirectional Brain-Machine Interface Algorithm That Approximates Arbitrary Force-Fields

PubMed Central

Semprini, Marianna; Mussa-Ivaldi, Ferdinando A.; Panzeri, Stefano

2014-01-01

We examine bidirectional brain-machine interfaces that control external devices in a closed loop by decoding motor cortical activity to command the device and by encoding the state of the device by delivering electrical stimuli to sensory areas. Although it is possible to design this artificial sensory-motor interaction while maintaining two independent channels of communication, here we propose a rule that closes the loop between flows of sensory and motor information in a way that approximates a desired dynamical policy expressed as a field of forces acting upon the controlled external device. We previously developed a first implementation of this approach based on linear decoding of neural activity recorded from the motor cortex into a set of forces (a force field) applied to a point mass, and on encoding of position of the point mass into patterns of electrical stimuli delivered to somatosensory areas. However, this previous algorithm had the limitation that it only worked in situations when the position-to-force map to be implemented is invertible. Here we overcome this limitation by developing a new non-linear form of the bidirectional interface that can approximate a virtually unlimited family of continuous fields. The new algorithm bases both the encoding of position information and the decoding of motor cortical activity on an explicit map between spike trains and the state space of the device computed with Multi-Dimensional-Scaling. We present a detailed computational analysis of the performance of the interface and a validation of its robustness by using synthetic neural responses in a simulated sensory-motor loop. PMID:24626393

Magnetic Flux Distribution of Linear Machines with Novel Three-Dimensional Hybrid Magnet Arrays

PubMed Central

Yao, Nan; Yan, Liang; Wang, Tianyi; Wang, Shaoping

2017-01-01

The objective of this paper is to propose a novel tubular linear machine with hybrid permanent magnet arrays and multiple movers, which could be employed for either actuation or sensing technology. The hybrid magnet array produces flux distribution on both sides of windings, and thus helps to increase the signal strength in the windings. The multiple movers are important for airspace technology, because they can improve the system’s redundancy and reliability. The proposed design concept is presented, and the governing equations are obtained based on source free property and Maxwell equations. The magnetic field distribution in the linear machine is thus analytically formulated by using Bessel functions and harmonic expansion of magnetization vector. Numerical simulation is then conducted to validate the analytical solutions of the magnetic flux field. It is proved that the analytical model agrees with the numerical results well. Therefore, it can be utilized for the formulation of signal or force output subsequently, depending on its particular implementation. PMID:29156577

Magnetic Flux Distribution of Linear Machines with Novel Three-Dimensional Hybrid Magnet Arrays.

PubMed

Yao, Nan; Yan, Liang; Wang, Tianyi; Wang, Shaoping

2017-11-18

The objective of this paper is to propose a novel tubular linear machine with hybrid permanent magnet arrays and multiple movers, which could be employed for either actuation or sensing technology. The hybrid magnet array produces flux distribution on both sides of windings, and thus helps to increase the signal strength in the windings. The multiple movers are important for airspace technology, because they can improve the system's redundancy and reliability. The proposed design concept is presented, and the governing equations are obtained based on source free property and Maxwell equations. The magnetic field distribution in the linear machine is thus analytically formulated by using Bessel functions and harmonic expansion of magnetization vector. Numerical simulation is then conducted to validate the analytical solutions of the magnetic flux field. It is proved that the analytical model agrees with the numerical results well. Therefore, it can be utilized for the formulation of signal or force output subsequently, depending on its particular implementation.

Asymptotic forms for the energy of force-free magnetic field ion figurations of translational symmetry

NASA Technical Reports Server (NTRS)

Sturrock, P. A.; Antiochos, S. K.; Klinchuk, J. A.; Roumeliotis, G.

1994-01-01

It is known from computer calculations that if a force-free magnetic field configuration is stressed progressively by footpoint displacements, the configuration expands and approaches the open configuration with the same surface flux distribution and the energy of the field increases progressively. For configurations of translationalsymmetry, it has been found empirically that the energy tends asymptotically to a certain functional form. It is here shown that analysis of a simple model of the asymptotic form of force-free fields of translational symmetry leads to and therefore justifies this functional form. According to this model, the field evolves in a well-behaved manner with no indication of instability or loss of equilibrium.

Inference with minimal Gibbs free energy in information field theory.

PubMed

Ensslin, Torsten A; Weig, Cornelius

2010-11-01

Non-linear and non-gaussian signal inference problems are difficult to tackle. Renormalization techniques permit us to construct good estimators for the posterior signal mean within information field theory (IFT), but the approximations and assumptions made are not very obvious. Here we introduce the simple concept of minimal Gibbs free energy to IFT, and show that previous renormalization results emerge naturally. They can be understood as being the gaussian approximation to the full posterior probability, which has maximal cross information with it. We derive optimized estimators for three applications, to illustrate the usage of the framework: (i) reconstruction of a log-normal signal from poissonian data with background counts and point spread function, as it is needed for gamma ray astronomy and for cosmography using photometric galaxy redshifts, (ii) inference of a gaussian signal with unknown spectrum, and (iii) inference of a poissonian log-normal signal with unknown spectrum, the combination of (i) and (ii). Finally we explain how gaussian knowledge states constructed by the minimal Gibbs free energy principle at different temperatures can be combined into a more accurate surrogate of the non-gaussian posterior.

Consistent free energy landscapes and thermodynamic properties of small proteins based on a single all-atom force field employing an implicit solvation.

PubMed

Kim, Eunae; Jang, Soonmin; Pak, Youngshang

2007-10-14

We have attempted to improve the PARAM99 force field in conjunction with the generalized Born (GB) solvation model with a surface area correction for more consistent protein folding simulations. For this purpose, using an extended alphabeta training set of five well-studied molecules with various folds (alpha, beta, and betabetaalpha), a previously modified version of PARAM99/GBSA is further refined, such that all native states of the five training species correspond to their lowest free energy minimum states. The resulting modified force field (PARAM99MOD5/GBSA) clearly produces reasonably acceptable conformational free energy surfaces of the training set with correct identifications of their native states in the free energy minimum states. Moreover, due to its well-balanced nature, this new force field is expected to describe secondary structure propensities of diverse folds in a more consistent manner. Remarkably, temperature dependent behaviors simulated with the current force field are in good agreement with the experiment. This agreement is a significant improvement over the existing standard all-atom force fields. In addition, fundamentally important thermodynamic quantities, such as folding enthalpy (DeltaH) and entropy (DeltaS), agree reasonably well with the experimental data.

Particle-in-cell simulations of collisionless magnetic reconnection with a non-uniform guide field

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

Wilson, F., E-mail: fw237@st-andrews.ac.uk; Neukirch, T., E-mail: tn3@st-andrews.ac.uk; Harrison, M. G.

Results are presented of a first study of collisionless magnetic reconnection starting from a recently found exact nonlinear force-free Vlasov–Maxwell equilibrium. The initial state has a Harris sheet magnetic field profile in one direction and a non-uniform guide field in a second direction, resulting in a spatially constant magnetic field strength as well as a constant initial plasma density and plasma pressure. It is found that the reconnection process initially resembles guide field reconnection, but that a gradual transition to anti-parallel reconnection happens as the system evolves. The time evolution of a number of plasma parameters is investigated, and themore » results are compared with simulations starting from a Harris sheet equilibrium and a Harris sheet plus constant guide field equilibrium.« less

A combined dislocation fan-finite element (DF-FE) method for stress field simulation of dislocations emerging at the free surfaces of 3D elastically anisotropic crystals

NASA Astrophysics Data System (ADS)

Balusu, K.; Huang, H.

2017-04-01

A combined dislocation fan-finite element (DF-FE) method is presented for efficient and accurate simulation of dislocation nodal forces in 3D elastically anisotropic crystals with dislocations intersecting the free surfaces. The finite domain problem is decomposed into half-spaces with singular traction stresses, an infinite domain, and a finite domain with non-singular traction stresses. As such, the singular and non-singular parts of the traction stresses are addressed separately; the dislocation fan (DF) method is introduced to balance the singular traction stresses in the half-spaces while the finite element method (FEM) is employed to enforce the non-singular boundary conditions. The accuracy and efficiency of the DF method is demonstrated using a simple isotropic test case, by comparing it with the analytical solution as well as the FEM solution. The DF-FE method is subsequently used for calculating the dislocation nodal forces in a finite elastically anisotropic crystal, which produces dislocation nodal forces that converge rapidly with increasing mesh resolutions. In comparison, the FEM solution fails to converge, especially for nodes closer to the surfaces.

Investigating Plasma Motion of Magnetic Clouds at 1 AU through a Velocity-modified Cylindrical Force-free Flux Rope Model

NASA Astrophysics Data System (ADS)

Wang, Y.; Shen, C.; Liu, R.; Zhou, Z.

2014-12-01

Magnetic clouds (MCs) are the interplanetary counterparts of coronal mass ejections (CMEs). Due to the very low value of Can't connect to bucket.int.confex.com:4201 (Connection refused) LWP::Protocol::http::Socket: connect: Connection refused at /usr/local/lib/perl5/site_perl/5.8.8/LWP/Protocol/http.pm line 51. in MCs, they are believed to be in a nearly force-free state and therefore are able to be modeled by a cylindrical force-free flux rope. However, the force-free state only describes the magnetic field topology but not the plasma motion of a MC. For a MC propagating in interplanetary space, the global plasma motion has three possible components: linear propagating motion of a MC away from the Sun, expanding motion and circular motion with respect to the axis of the MC. By assuming the quasi-steady evolution and self-similar expansion, we introduced the three-component motion into the cylindrical force-free flux rope model, and developed a velocity-modified model. Then we applied the model to 73 MCs observed by Wind spacecraft to investigate the properties of the plasma motion of MCs. It is found that (1) some MCs did not propagate along the Sun-Earth line, suggesting the direct evidence of the CME's deflected propagation and/or rotation in interplanetary space, (2) the expansion speed is correlated with the radial propagation speed and 62%/17% of MCs underwent a under/over-expansion at 1 AU, and (3) the circular motion does exists though it is only on the order of 10 km s-1. These findings advance our understanding of the MC's properties at 1 AU as well as the dynamic evolution of CMEs from the Sun to interplanetary space.

Design and analysis of linear oscillatory single-phase permanent magnet generator for free-piston stirling engine systems

NASA Astrophysics Data System (ADS)

Kim, Jeong-Man; Choi, Jang-Young; Lee, Kyu-Seok; Lee, Sung-Ho

2017-05-01

This study focuses on the design and analysis of a linear oscillatory single-phase permanent magnet generator for free-piston stirling engine (FPSE) systems. In order to implement the design of linear oscillatory generator (LOG) for suitable FPSEs, we conducted electromagnetic analysis of LOGs with varying design parameters. Then, detent force analysis was conducted using assisted PM. Using the assisted PM gave us the advantage of using mechanical strength by detent force. To improve the efficiency, we conducted characteristic analysis of eddy-current loss with respect to the PM segment. Finally, the experimental result was analyzed to confirm the prediction of the FEA.

Novel Hamiltonian method for collective dynamics analysis of an intense charged particle beam propagating through a periodic focusing quadrupole lattice a)

NASA Astrophysics Data System (ADS)

Startsev, Edward A.; Davidson, Ronald C.

2011-05-01

Identifying regimes for quiescent propagation of intense beams over long distances has been a major challenge in accelerator research. In particular, the development of systematic theoretical approaches that are able to treat self-consistently the applied oscillating force and the nonlinear self-field force of the beam particles simultaneously has been a major challenge of modern beam physics. In this paper, the recently developed Hamiltonian averaging technique [E. A. Startsev, R. C. Davidson, and M. Dorf, Phys. Rev. ST Accel. Beams 13, 064402 (2010)] which incorporates both the applied periodic focusing force and the self-field force of the beam particles, is generalized to the case of time-dependent beam distributions. The new formulation allows not only a determination of quasi-equilibrium solutions of the non-linear Vlasov-Poison system of equations but also a detailed study of their stability properties. The corrections to the well-known "smooth-focusing" approximation are derived, and the results are applied to a matched beam with thermal equilibrium distribution function. It is shown that the corrections remain small even for moderate values of the vacuum phase advance συ. Nonetheless, because the corrections to the average self-field potential are non-axisymmetric, the stability properties of the different beam quasi-equilibria can change significantly.

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

Kalligiannaki, Evangelia, E-mail: ekalligian@tem.uoc.gr; Harmandaris, Vagelis, E-mail: harman@uoc.gr; Institute of Applied and Computational Mathematics

Using the probabilistic language of conditional expectations, we reformulate the force matching method for coarse-graining of molecular systems as a projection onto spaces of coarse observables. A practical outcome of this probabilistic description is the link of the force matching method with thermodynamic integration. This connection provides a way to systematically construct a local mean force and to optimally approximate the potential of mean force through force matching. We introduce a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse grainingmore » mappings (e.g., reaction coordinates, end-to-end length of chains). Furthermore, we study the equivalence of force matching with relative entropy minimization which we derive for general non-linear coarse graining maps. We present in detail the generalized force matching condition through applications to specific examples in molecular systems.« less

Assessment of Advanced Logistics Delivery System (ALDS) Launch Systems Concepts

DTIC Science & Technology

2004-10-01

highest force vs. rotor weight required, allows much higher magnetic field generation than the linear induction or linear permanent magnet motors , and...provides the highest force vs. rotor weight required, allows much higher magnetic generation than the linear induction or linear permanent magnet motors , and

Proceedings of the 1993 Particle Accelerator Conference Held in Washington, DC on May 17-20, 1993. Volume 5

DTIC Science & Technology

1994-05-18

1801 Control System Architecture: The Standard and Non -Standard Models (Invited Paper) - M. E. Thuot, L. R. Dalesio, LANL...extracted beam intensity and feedback on lbe in lbe AGS, lbe non -linear space charge force can blow up lbe strength of lbe sextupole field to control lb...cromsings at the two experimental areas BO and DO, and bling the mas rnge accessible for discovery, a menu bar. In the menu bar there are controls to inject

Exactly energy conserving semi-implicit particle in cell formulation

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

Lapenta, Giovanni, E-mail: giovanni.lapenta@kuleuven.be

We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conservesmore » energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These features are achieved at a reduced cost compared with either previous IMM or fully implicit implementation of PIC.« less

Can free energy calculations be fast and accurate at the same time? Binding of low-affinity, non-peptide inhibitors to the SH2 domain of the src protein

NASA Astrophysics Data System (ADS)

Chipot, Christophe; Rozanska, Xavier; Dixit, Surjit B.

2005-11-01

The usefulness of free-energy calculations in non-academic environments, in general, and in the pharmaceutical industry, in particular, is a long-time debated issue, often considered from the angle of cost/performance criteria. In the context of the rational drug design of low-affinity, non-peptide inhibitors to the SH2 domain of the pp60src tyrosine kinase, the continuing difficulties encountered in an attempt to obtain accurate free-energy estimates are addressed. free-energy calculations can provide a convincing answer, assuming that two key-requirements are fulfilled: (i) thorough sampling of the configurational space is necessary to minimize the statistical error, hence raising the question: to which extent can we sacrifice the computational effort, yet without jeopardizing the precision of the free-energy calculation? (ii) the sensitivity of binding free-energies to the parameters utilized imposes an appropriate parametrization of the potential energy function, especially for non-peptide molecules that are usually poorly described by multipurpose macromolecular force fields. Employing the free-energy perturbation method, accurate ranking, within ±0.7 kcal/mol, is obtained in the case of four non-peptide mimes of a sequence recognized by the pp60src SH2 domain.

Effects of non-tidal atmospheric loading on a Kalman filter-based terrestrial reference frame

NASA Astrophysics Data System (ADS)

Abbondanza, C.; Altamimi, Z.; Chin, T. M.; Collilieux, X.; Dach, R.; Heflin, M. B.; Gross, R. S.; König, R.; Lemoine, F. G.; MacMillan, D. S.; Parker, J. W.; van Dam, T. M.; Wu, X.

2013-12-01

The International Terrestrial Reference Frame (ITRF) adopts a piece-wise linear model to parameterize regularized station positions and velocities. The space-geodetic (SG) solutions from VLBI, SLR, GPS and DORIS global networks used as input in the ITRF combination process account for tidal loading deformations, but ignore the non-tidal part. As a result, the non-linear signal observed in the time series of SG-derived station positions in part reflects non-tidal loading displacements not introduced in the SG data reduction. In this analysis, the effect of non-tidal atmospheric loading (NTAL) corrections on the TRF is assessed adopting a Remove/Restore approach: (i) Focusing on the a-posteriori approach, the NTAL model derived from the National Center for Environmental Prediction (NCEP) surface pressure is removed from the SINEX files of the SG solutions used as inputs to the TRF determinations. (ii) Adopting a Kalman-filter based approach, a linear TRF is estimated combining the 4 SG solutions free from NTAL displacements. (iii) Linear fits to the NTAL displacements removed at step (i) are restored to the linear reference frame estimated at (ii). The velocity fields of the (standard) linear reference frame in which the NTAL model has not been removed and the one in which the model has been removed/restored are compared and discussed.

Transverse beam dynamics in non-linear Fixed Field Alternating Gradient accelerators

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

Haj, Tahar M.; Meot, F.

2016-03-02

In this paper, we present some aspects of the transverse beam dynamics in Fixed Field Ring Accelerators (FFRA): we start from the basic principles in order to derive the linearized transverse particle equations of motion for FFRA, essentially FFAGs and cyclotrons are considered here. This is a simple extension of a previous work valid for linear lattices that we generalized by including the bending terms to ensure its correctness for FFAG lattice. The space charge term (contribution of the internal coulombian forces of the beam) is contained as well, although it is not discussed here. The emphasis is on themore » scaling FFAG type: a collaboration work is undertaken in view of better understanding the properties of the 150 MeV scaling FFAG at KURRI in Japan, and progress towards high intensity operation. Some results of the benchmarking work between different codes are presented. Analysis of certain type of field imperfections revealed some interesting features about this machine that explain some of the experimental results and generalize the concept of a scaling FFAG to a non-scaling one for which the tune variations obey a well-defined law.« less

Chaotic non-planar vibrations of the thin elastica. Part I: Experimental observation of planar instability

NASA Astrophysics Data System (ADS)

Cusumano, J. P.; Moon, F. C.

1995-01-01

In this two-part paper, the results of an investigation into the non-linear dynamics of a flexible cantilevered rod (the elastica) with a thin rectangular cross-section are presented. An experimental examination of the dynamics of the elastica over a broad parameter range forms the core of Part I. In Part II, the experimental work is related to a theoretical study of the mechanics of the elastica, and the study of a two-degree-of-freedom model obtained by modal projection. The experimental system used in this investigation is a rod with clamped-free boundary conditions, forced by sinusoidally displacing the clamped end. Planar periodic motions of the driven elastica are shown to lose stability at distinct resonant wedges, and the resulting motions are shown in general to be non-planar, chaotic, bending-torsion oscillations. Non-planar motions in all resonances exhibit energy cascading and dynamic two-well phenomena, and a family of asymmetric, bending-torsion non-linear modes is discovered. Correlation dimension calculations are used to estimate the number of active degrees of freedom in the system.

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

PubMed Central

Noid, W. G.; Liu, Pu; Wang, Yanting; Chu, Jhih-Wei; Ayton, Gary S.; Izvekov, Sergei; Andersen, Hans C.; Voth, Gregory A.

2008-01-01

The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005);J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to determine an interaction potential for a CG model from simulations of an atomically detailed model of the same system. The companion paper proved that, if no restrictions regarding the form of the CG interaction potential are introduced and if the equilibrium distribution of the atomistic model has been adequately sampled, then the MS-CG variational principle determines the exact many-body potential of mean force (PMF) governing the equilibrium distribution of CG sites generated by the atomistic model. In practice, though, CG force fields are not completely flexible, but only include particular types of interactions between CG sites, e.g., nonbonded forces between pairs of sites. If the CG force field depends linearly on the force field parameters, then the vector valued functions that relate the CG forces to these parameters determine a set of basis vectors that span a vector subspace of CG force fields. The companion paper introduced a distance metric for the vector space of CG force fields and proved that the MS-CG variational principle determines the CG force force field that is within that vector subspace and that is closest to the force field determined by the many-body PMF. The present paper applies the MS-CG variational principle for parametrizing molecular CG force fields and derives a linear least squares problem for the parameter set determining the optimal approximation to this many-body PMF. Linear systems of equations for these CG force field parameters are derived and analyzed in terms of equilibrium structural correlation functions. Numerical calculations for a one-site CG model of methanol and a molecular CG model of the EMIM+∕NO3− ionic liquid are provided to illustrate the method. PMID:18601325

Effects of Magnetic field on Peristalsis transport of a Carreau Fluid in a tapered asymmetric channel

NASA Astrophysics Data System (ADS)

Prakash, J.; Balaji, N.; Siva, E. P.; Kothandapani, M.; Govindarajan, A.

2018-04-01

The paper is concerned with effects of a uniform applied magnetic field on a Carreau fluid flow in a tapered asymmetric channel with peristalsis. The channel non-uniform & asymmetry are formed by choosing the peristaltic wave train on the tapered walls to have different amplitude and phase (ϕ). The governing equations of the Carreau model in two - dimensional peristaltic flow phenomena are constructed under assumptions of long wave length and low Reynolds number approximations. The simplified non - linear governing equations are solved by regular perturbation method. The expressions for pressure rise, frictional force, velocity and stream function are determined and the effects of different parameters like non-dimensional amplitudes walls (a and b), non - uniform parameter (m), Hartmann number (M), phase difference (ϕ),power law index (n) and Weissenberg numbers (We) on the flow characteristics are discussed. It is viewed that the rheological parameter for large (We), the curves of the pressure rise are not linear but it behaves like a Newtonian fluid for very small Weissenberg number.

Soft tissue modelling through autowaves for surgery simulation.

PubMed

Zhong, Yongmin; Shirinzadeh, Bijan; Alici, Gursel; Smith, Julian

2006-09-01

Modelling of soft tissue deformation is of great importance to virtual reality based surgery simulation. This paper presents a new methodology for simulation of soft tissue deformation by drawing an analogy between autowaves and soft tissue deformation. The potential energy stored in a soft tissue as a result of a deformation caused by an external force is propagated among mass points of the soft tissue by non-linear autowaves. The novelty of the methodology is that (i) autowave techniques are established to describe the potential energy distribution of a deformation for extrapolating internal forces, and (ii) non-linear materials are modelled with non-linear autowaves other than geometric non-linearity. Integration with a haptic device has been achieved to simulate soft tissue deformation with force feedback. The proposed methodology not only deals with large-range deformations, but also accommodates isotropic, anisotropic and inhomogeneous materials by simply changing diffusion coefficients.

Technique for forcing high Reynolds number isotropic turbulence in physical space

NASA Astrophysics Data System (ADS)

Palmore, John A.; Desjardins, Olivier

2018-03-01

Many common engineering problems involve the study of turbulence interaction with other physical processes. For many such physical processes, solutions are expressed most naturally in physical space, necessitating the use of physical space solutions. For simulating isotropic turbulence in physical space, linear forcing is a commonly used strategy because it produces realistic turbulence in an easy-to-implement formulation. However, the method resolves a smaller range of scales on the same mesh than spectral forcing. We propose an alternative approach for turbulence forcing in physical space that uses the low-pass filtered velocity field as the basis of the forcing term. This method is shown to double the range of scales captured by linear forcing while maintaining the flexibility and low computational cost of the original method. This translates to a 60% increase of the Taylor microscale Reynolds number on the same mesh. An extension is made to scalar mixing wherein a scalar field is forced to have an arbitrarily chosen, constant variance. Filtered linear forcing of the scalar field allows for control over the length scale of scalar injection, which could be important when simulating scalar mixing.

Free and Forced Vibrations of Thick-Walled Anisotropic Cylindrical Shells

NASA Astrophysics Data System (ADS)

Marchuk, A. V.; Gnedash, S. V.; Levkovskii, S. A.

2017-03-01

Two approaches to studying the free and forced axisymmetric vibrations of cylindrical shell are proposed. They are based on the three-dimensional theory of elasticity and division of the original cylindrical shell with concentric cross-sectional circles into several coaxial cylindrical shells. One approach uses linear polynomials to approximate functions defined in plan and across the thickness. The other approach also uses linear polynomials to approximate functions defined in plan, but their variation with thickness is described by the analytical solution of a system of differential equations. Both approaches have approximation and arithmetic errors. When determining the natural frequencies by the semi-analytical finite-element method in combination with the divide and conqure method, it is convenient to find the initial frequencies by the finite-element method. The behavior of the shell during free and forced vibrations is analyzed in the case where the loading area is half the shell thickness

How Much Energy Can Be Stored in Solar Active Region Magnetic Fields?

NASA Astrophysics Data System (ADS)

Linker, J.; Downs, C.; Torok, T.; Titov, V. S.; Lionello, R.; Mikic, Z.; Riley, P.

2015-12-01

Major solar eruptions such as X-class flares and very fast coronal mass ejections usually originate in active regions on the Sun. The energy that powers these events is believed to be stored as free magnetic energy (energy above the potential field state) prior to eruption. While coronal magnetic fields are not in general force-free, active regions have very strong magnetic fields and at low coronal heights the plasma beta is therefore very small, making the field (in equilibrium) essentially force-free. The Aly-Sturrock theorem shows that the energy of a fully force-free field cannot exceed the energy of the so-called open field. If the theorem holds, this places an upper limit on the amount of free energy that can be stored: the maximum free energy (MFE) is the difference between the open field energy and the potential field energy of the active region. In thermodynamic MHD simulations of a major eruption (the July 14, 2000 'Bastille' day event) and a modest event (February 13, 2009, we have found that the MFE indeed bounds the energy stored prior to eruption. We compute the MFE for major eruptive events in cycles 23 and 24 to investigate the maximum amount of energy that can be stored in solar active regions.Research supported by AFOSR, NASA, and NSF.

Comparison of Two Coronal Magnetic Field Models to Reconstruct a Sigmoidal Solar Active Region with Coronal Loops

NASA Astrophysics Data System (ADS)

Duan, Aiying; Jiang, Chaowei; Hu, Qiang; Zhang, Huai; Gary, G. Allen; Wu, S. T.; Cao, Jinbin

2017-06-01

Magnetic field extrapolation is an important tool to study the three-dimensional (3D) solar coronal magnetic field, which is difficult to directly measure. Various analytic models and numerical codes exist, but their results often drastically differ. Thus, a critical comparison of the modeled magnetic field lines with the observed coronal loops is strongly required to establish the credibility of the model. Here we compare two different non-potential extrapolation codes, a nonlinear force-free field code (CESE-MHD-NLFFF) and a non-force-free field (NFFF) code, in modeling a solar active region (AR) that has a sigmoidal configuration just before a major flare erupted from the region. A 2D coronal-loop tracing and fitting method is employed to study the 3D misalignment angles between the extrapolated magnetic field lines and the EUV loops as imaged by SDO/AIA. It is found that the CESE-MHD-NLFFF code with preprocessed magnetogram performs the best, outputting a field that matches the coronal loops in the AR core imaged in AIA 94 Å with a misalignment angle of ˜10°. This suggests that the CESE-MHD-NLFFF code, even without using the information of the coronal loops in constraining the magnetic field, performs as good as some coronal-loop forward-fitting models. For the loops as imaged by AIA 171 Å in the outskirts of the AR, all the codes including the potential field give comparable results of the mean misalignment angle (˜30°). Thus, further improvement of the codes is needed for a better reconstruction of the long loops enveloping the core region.

Comparison of Two Coronal Magnetic Field Models to Reconstruct a Sigmoidal Solar Active Region with Coronal Loops

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

Duan, Aiying; Zhang, Huai; Jiang, Chaowei

Magnetic field extrapolation is an important tool to study the three-dimensional (3D) solar coronal magnetic field, which is difficult to directly measure. Various analytic models and numerical codes exist, but their results often drastically differ. Thus, a critical comparison of the modeled magnetic field lines with the observed coronal loops is strongly required to establish the credibility of the model. Here we compare two different non-potential extrapolation codes, a nonlinear force-free field code (CESE–MHD–NLFFF) and a non-force-free field (NFFF) code, in modeling a solar active region (AR) that has a sigmoidal configuration just before a major flare erupted from themore » region. A 2D coronal-loop tracing and fitting method is employed to study the 3D misalignment angles between the extrapolated magnetic field lines and the EUV loops as imaged by SDO /AIA. It is found that the CESE–MHD–NLFFF code with preprocessed magnetogram performs the best, outputting a field that matches the coronal loops in the AR core imaged in AIA 94 Å with a misalignment angle of ∼10°. This suggests that the CESE–MHD–NLFFF code, even without using the information of the coronal loops in constraining the magnetic field, performs as good as some coronal-loop forward-fitting models. For the loops as imaged by AIA 171 Å in the outskirts of the AR, all the codes including the potential field give comparable results of the mean misalignment angle (∼30°). Thus, further improvement of the codes is needed for a better reconstruction of the long loops enveloping the core region.« less

MHD Forced Convective Laminar Boundary Layer Flow from a Convectively Heated Moving Vertical Plate with Radiation and Transpiration Effect

PubMed Central

Uddin, Md. Jashim; Khan, Waqar A.; Ismail, A. I. Md.

2013-01-01

A two-dimensional steady forced convective flow of a Newtonian fluid past a convectively heated permeable vertically moving plate in the presence of a variable magnetic field and radiation effect has been investigated numerically. The plate moves either in assisting or opposing direction to the free stream. The plate and free stream velocities are considered to be proportional to whilst the magnetic field and mass transfer velocity are taken to be proportional to where is the distance along the plate from the leading edge of the plate. Instead of using existing similarity transformations, we use a linear group of transformations to transform the governing equations into similarity equations with relevant boundary conditions. Numerical solutions of the similarity equations are presented to show the effects of the controlling parameters on the dimensionless velocity, temperature and concentration profiles as well as on the friction factor, rate of heat and mass transfer. It is found that the rate of heat transfer elevates with the mass transfer velocity, convective heat transfer, Prandtl number, velocity ratio and the magnetic field parameters. It is also found that the rate of mass transfer enhances with the mass transfer velocity, velocity ratio, power law index and the Schmidt number, whilst it suppresses with the magnetic field parameter. Our results are compared with the results existing in the open literature. The comparisons are satisfactory. PMID:23741295

EXTRAPOLATION OF THE SOLAR CORONAL MAGNETIC FIELD FROM SDO/HMI MAGNETOGRAM BY A CESE-MHD-NLFFF CODE

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

Jiang Chaowei; Feng Xueshang, E-mail: cwjiang@spaceweather.ac.cn, E-mail: fengx@spaceweather.ac.cn

Due to the absence of direct measurement, the magnetic field in the solar corona is usually extrapolated from the photosphere in a numerical way. At the moment, the nonlinear force-free field (NLFFF) model dominates the physical models for field extrapolation in the low corona. Recently, we have developed a new NLFFF model with MHD relaxation to reconstruct the coronal magnetic field. This method is based on CESE-MHD model with the conservation-element/solution-element (CESE) spacetime scheme. In this paper, we report the application of the CESE-MHD-NLFFF code to Solar Dynamics Observatory/Helioseismic and Magnetic Imager (SDO/HMI) data with magnetograms sampled for two activemore » regions (ARs), NOAA AR 11158 and 11283, both of which were very non-potential, producing X-class flares and eruptions. The raw magnetograms are preprocessed to remove the force and then inputted into the extrapolation code. Qualitative comparison of the results with the SDO/AIA images shows that our code can reconstruct magnetic field lines resembling the EUV-observed coronal loops. Most important structures of the ARs are reproduced excellently, like the highly sheared field lines that suspend filaments in AR 11158 and twisted flux rope which corresponds to a sigmoid in AR 11283. Quantitative assessment of the results shows that the force-free constraint is fulfilled very well in the strong-field regions but apparently not that well in the weak-field regions because of data noise and numerical errors in the small currents.« less

Breaking the Time Barrier in Kelvin Probe Force Microscopy: Fast Free Force Reconstruction Using the G-Mode Platform

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

Collins, Liam; Ahmadi, Mahshid; Wu, Ting

The atomic force microscope (AFM) offers unparalleled insight into structure and material functionality across nanometer length scales. However, the spatial resolution afforded by the AFM tip is counterpoised by slow detection speeds compared to other common microscopy techniques (e.g. optical, scanning electron microscopy etc.). In this work, we develop an AFM imaging approach allowing ultrafast reconstruction of the tip-sample forces having ~2 orders of magnitude higher time resolution than standard detection methods. Fast free force recovery (F3R) overcomes the widely-viewed temporal bottleneck in AFM, i.e. the mechanical bandwidth of the cantilever, enabling time-resolved imaging at sub-bandwidth speeds. We demonstrate quantitativemore » recovery of electrostatic forces with ~10 µs temporal resolution, free from cantilever ring-down effects. We further apply the F3R method to Kelvin probe force microscopy (KPFM) measurements. F3R-KPFM is an open loop imaging approach (i.e. no bias feedback), allowing ultrafast surface potential measurements (e.g. < 20 µs) to be performed at regular KPFM scan speeds. F3R-KPFM is demonstrated for exploration of ion migration in organometallic halide perovskites materials and shown to allow spatio-temporal imaging of positively charged ion migration under applied electric field, as well as subsequent formation of accumulated charges at the perovskite/electrode interface. In this work we demonstrate quantitative F3R-KPFM measurements – however, we fully expect the F3R approach to be valid for all modes of non-contact AFM operation, including non-invasive probing of ultrafast electrical and magnetic dynamics.« less

Breaking the Time Barrier in Kelvin Probe Force Microscopy: Fast Free Force Reconstruction Using the G-Mode Platform

DOE PAGES

Collins, Liam; Ahmadi, Mahshid; Wu, Ting; ...

2017-08-06

The atomic force microscope (AFM) offers unparalleled insight into structure and material functionality across nanometer length scales. However, the spatial resolution afforded by the AFM tip is counterpoised by slow detection speeds compared to other common microscopy techniques (e.g. optical, scanning electron microscopy etc.). In this work, we develop an AFM imaging approach allowing ultrafast reconstruction of the tip-sample forces having ~2 orders of magnitude higher time resolution than standard detection methods. Fast free force recovery (F3R) overcomes the widely-viewed temporal bottleneck in AFM, i.e. the mechanical bandwidth of the cantilever, enabling time-resolved imaging at sub-bandwidth speeds. We demonstrate quantitativemore » recovery of electrostatic forces with ~10 µs temporal resolution, free from cantilever ring-down effects. We further apply the F3R method to Kelvin probe force microscopy (KPFM) measurements. F3R-KPFM is an open loop imaging approach (i.e. no bias feedback), allowing ultrafast surface potential measurements (e.g. < 20 µs) to be performed at regular KPFM scan speeds. F3R-KPFM is demonstrated for exploration of ion migration in organometallic halide perovskites materials and shown to allow spatio-temporal imaging of positively charged ion migration under applied electric field, as well as subsequent formation of accumulated charges at the perovskite/electrode interface. In this work we demonstrate quantitative F3R-KPFM measurements – however, we fully expect the F3R approach to be valid for all modes of non-contact AFM operation, including non-invasive probing of ultrafast electrical and magnetic dynamics.« less

Laser-Induced Linear-Field Particle Acceleration in Free Space.

PubMed

Wong, Liang Jie; Hong, Kyung-Han; Carbajo, Sergio; Fallahi, Arya; Piot, Philippe; Soljačić, Marin; Joannopoulos, John D; Kärtner, Franz X; Kaminer, Ido

2017-09-11

Linear-field particle acceleration in free space (which is distinct from geometries like the linac that requires components in the vicinity of the particle) has been studied for over 20 years, and its ability to eventually produce high-quality, high energy multi-particle bunches has remained a subject of great interest. Arguments can certainly be made that linear-field particle acceleration in free space is very doubtful given that first-order electron-photon interactions are forbidden in free space. Nevertheless, we chose to develop an accurate and truly predictive theoretical formalism to explore this remote possibility when intense, few-cycle electromagnetic pulses are used in a computational experiment. The formalism includes exact treatment of Maxwell's equations and exact treatment of the interaction among the multiple individual particles at near and far field. Several surprising results emerge. We find that electrons interacting with intense laser pulses in free space are capable of gaining substantial amounts of energy that scale linearly with the field amplitude. For example, 30 keV electrons (2.5% energy spread) are accelerated to 61 MeV (0.5% spread) and to 205 MeV (0.25% spread) using 250 mJ and 2.5 J lasers respectively. These findings carry important implications for our understanding of ultrafast electron-photon interactions in strong fields.

Study of an expanding magnetic cloud

NASA Astrophysics Data System (ADS)

Nakwacki, M. S.; Dasso, S.; Mandrini, C. H.; Démoulin, P.

Magnetic Clouds (MCs) transport into the interplanetary medium the magnetic flux and helicity released in coronal mass ejections by the Sun. At 1 AU from the Sun, MCs are generally modelled as static flux ropes. However, the velocity profile of some MCs presents signatures of expansion. We analise here the magnetic structure of an expanding magnetic cloud observed by Wind spacecraft. We consider a dynamical model, based on a self-similar behaviour for the cloud radial velocity. We assume a free expansion for the cloud, and a cylindrical linear force free field (i.e., the Lundquist's field) as the initial condition for its magnetic configuration. We derive theoretical expressions for the magnetic flux across a surface perpendicular to the cloud axis, for the magnetic helicity and magnetic energy per unit length along the tube using the self-similar model. Finally, we compute these magntitudes with the fitted parameters. FULL TEXT IN SPANISH

Independent CMEs from a Single Solar Active Region - The Case of the Super-Eruptive NOAA AR11429

NASA Astrophysics Data System (ADS)

Chintzoglou, Georgios; Patsourakos, Spiros; Vourlidas, Angelos

2014-06-01

In this investigation we study AR 11429, the origin of the twin super-fast CME eruptions of 07-Mar-2012. This AR fulfills all the requirements for the 'perfect storm'; namely, Hale's law incompatibility and a delta-magnetic configuration. In fact, during its limb-to-limb transit, AR 11429 spawned several eruptions which caused geomagnetic storms, including the biggest in Cycle 24 so far. Magnetic Flux Ropes (MFRs) are twisted magnetic structures in the corona, best seen in ~10MK hot plasma emission and are often considered as the culprit causing such super-eruptions. However, their 'dormant' existence in the solar atmosphere (i.e. prior to eruptions), is a matter of strong debate. Aided by multi-wavelength and multi-spacecraft observations (SDO/HMI & AIA, HINODE/SOT/SP, STEREO B/EUVI) and by using a Non-Linear Force-Free (NLFFF) model for the coronal magnetic field, our work shows two separate, weakly-twisted magnetic flux systems which suggest the existence of possible pre-eruption MFRs.

Variable Acceleration Force Calibration System (VACS)

NASA Technical Reports Server (NTRS)

Rhew, Ray D.; Parker, Peter A.; Johnson, Thomas H.; Landman, Drew

2014-01-01

Conventionally, force balances have been calibrated manually, using a complex system of free hanging precision weights, bell cranks, and/or other mechanical components. Conventional methods may provide sufficient accuracy in some instances, but are often quite complex and labor-intensive, requiring three to four man-weeks to complete each full calibration. To ensure accuracy, gravity-based loading is typically utilized. However, this often causes difficulty when applying loads in three simultaneous, orthogonal axes. A complex system of levers, cranks, and cables must be used, introducing increased sources of systematic error, and significantly increasing the time and labor intensity required to complete the calibration. One aspect of the VACS is a method wherein the mass utilized for calibration is held constant, and the acceleration is changed to thereby generate relatively large forces with relatively small test masses. Multiple forces can be applied to a force balance without changing the test mass, and dynamic forces can be applied by rotation or oscillating acceleration. If rotational motion is utilized, a mass is rigidly attached to a force balance, and the mass is exposed to a rotational field. A large force can be applied by utilizing a large rotational velocity. A centrifuge or rotating table can be used to create the rotational field, and fixtures can be utilized to position the force balance. The acceleration may also be linear. For example, a table that moves linearly and accelerates in a sinusoidal manner may also be utilized. The test mass does not have to move in a path that is parallel to the ground, and no re-leveling is therefore required. Balance deflection corrections may be applied passively by monitoring the orientation of the force balance with a three-axis accelerometer package. Deflections are measured during each test run, and adjustments with respect to the true applied load can be made during the post-processing stage. This paper will present the development and testing of the VASC concept.

Effect of wire size on maxillary arch force/couple systems for a simulated high canine malocclusion.

PubMed

Major, Paul W; Toogood, Roger W; Badawi, Hisham M; Carey, Jason P; Seru, Surbhi

2014-12-01

To better understand the effects of copper nickel titanium (CuNiTi) archwire size on bracket-archwire mechanics through the analysis of force/couple distributions along the maxillary arch. The hypothesis is that wire size is linearly related to the forces and moments produced along the arch. An Orthodontic Simulator was utilized to study a simplified high canine malocclusion. Force/couple distributions produced by passive and elastic ligation using two wire sizes (Damon 0.014 and 0.018 inch) measured with a sample size of 144. The distribution and variation in force/couple loading around the arch is a complicated function of wire size. The use of a thicker wire increases the force/couple magnitudes regardless of ligation method. Owing to the non-linear material behaviour of CuNiTi, this increase is less than would occur based on linear theory as would apply for stainless steel wires. The results demonstrate that an increase in wire size does not result in a proportional increase of applied force/moment. This discrepancy is explained in terms of the non-linear properties of CuNiTi wires. This non-proportional force response in relation to increased wire size warrants careful consideration when selecting wires in a clinical setting. © 2014 British Orthodontic Society.

New LMI based gain-scheduling control for recovering contact-free operation of a magnetically levitated rotor

NASA Astrophysics Data System (ADS)

Wang, M.; Cole, M. O. T.; Keogh, P. S.

2017-11-01

A new approach for the recovery of contact-free levitation of a rotor supported by active magnetic bearings (AMB) is assessed through control strategy design, system modelling and experimental verification. The rotor is considered to make contact with a touchdown bearing (TDB), which may lead to entrapment in a bi-stable nonlinear response. A linear matrix inequality (LMI) based gain-scheduling H∞ control technique is introduced to recover the rotor to a contact-free state. The controller formulation involves a time-varying effective stiffness parameter, which can be evaluated in terms of forces transmitted through the TDB. Rather than measuring these forces directly, an observer is introduced with a model of the base structure to transform base acceleration signals using polytopic coordinates for controller adjustment. Force transmission to the supporting base structure will occur either through an AMB alone without contact, or through the AMB and TDB with contact and this must be accounted for in the observer design. The controller is verified experimentally in terms of (a) non-contact robust stability and vibration suppression performance; (b) control action for contact-free recovery at typical running speeds with various unbalance and TDB misalignment conditions; and (c) coast-down experimental tests. The results demonstrate the effectiveness of the AMB control action whenever it operates within its dynamic load capacity.

Newtonian CAFE: a new ideal MHD code to study the solar atmosphere

NASA Astrophysics Data System (ADS)

González, J. J.; Guzmán, F.

2015-12-01

In this work we present a new independent code designed to solve the equations of classical ideal magnetohydrodynamics (MHD) in three dimensions, submitted to a constant gravitational field. The purpose of the code centers on the analysis of solar phenomena within the photosphere-corona region. In special the code is capable to simulate the propagation of impulsively generated linear and non-linear MHD waves in the non-isothermal solar atmosphere. We present 1D and 2D standard tests to demonstrate the quality of the numerical results obtained with our code. As 3D tests we present the propagation of MHD-gravity waves and vortices in the solar atmosphere. The code is based on high-resolution shock-capturing methods, uses the HLLE flux formula combined with Minmod, MC and WENO5 reconstructors. The divergence free magnetic field constraint is controlled using the Flux Constrained Transport method.

Ab Initio Protein Structure Assembly Using Continuous Structure Fragments and Optimized Knowledge-based Force Field

PubMed Central

Xu, Dong; Zhang, Yang

2012-01-01

Ab initio protein folding is one of the major unsolved problems in computational biology due to the difficulties in force field design and conformational search. We developed a novel program, QUARK, for template-free protein structure prediction. Query sequences are first broken into fragments of 1–20 residues where multiple fragment structures are retrieved at each position from unrelated experimental structures. Full-length structure models are then assembled from fragments using replica-exchange Monte Carlo simulations, which are guided by a composite knowledge-based force field. A number of novel energy terms and Monte Carlo movements are introduced and the particular contributions to enhancing the efficiency of both force field and search engine are analyzed in detail. QUARK prediction procedure is depicted and tested on the structure modeling of 145 non-homologous proteins. Although no global templates are used and all fragments from experimental structures with template modeling score (TM-score) >0.5 are excluded, QUARK can successfully construct 3D models of correct folds in 1/3 cases of short proteins up to 100 residues. In the ninth community-wide Critical Assessment of protein Structure Prediction (CASP9) experiment, QUARK server outperformed the second and third best servers by 18% and 47% based on the cumulative Z-score of global distance test-total (GDT-TS) scores in the free modeling (FM) category. Although ab initio protein folding remains a significant challenge, these data demonstrate new progress towards the solution of the most important problem in the field. PMID:22411565

Properties of TEM standing waves with E||B

NASA Astrophysics Data System (ADS)

Zaghloul, H.; Buckmaster, H. A.

This paper summarizes the known properties of E∥B TEM standing waves and shows that for such waves (i) E and B cannot be linearly polarized, (ii) E ≠ αB where α is a constant (iii) it is impossible to find a Lorentz frame where E>B, (iv) direction of the propagation vector cannot be inferred from the fields at one point of the space, (v) their behaviour under Lorentz, parity, time-reversal and gauge transformations is proper, (vi) both Lorentz invariants E2 - B2 and E·B are nonzero, (vii) the magnetic helicity may be nonzero, (viii) the magnetic field may be force-free, and (ix) kμFμv ≠ 0. It also shows how electromagnetic waves can be classified using Lorentz invariants. Cet article résume les qualités connues des ondes stationnaires E∥B TEM et montre que pour des ondes parallèles (i) E et B ne peuvent pas être polarisées linéairement, (ii) E ≠ αB où a est une constante, (iii) il est impossible de trouver une construction de Lorentz où E>B, (iv) la direction de propagation d'un vecteur ne peut pas être déduite des opérations à un point d'intervalle, (v) leur conduite sous Lorentz, parité, temps inverse et transformations de jauge est propre, (vi) les deux invariants de Lorentz E2 - B2 et E·B sont non nulles (vii) l'hélice magnétique peut être non nulle (viii) l'opération magnétique peut être de force libre et (ix) KμFμ v ≠ 0. Ceci montre aussi comment les ondes électromagnétiques peuvent être classifiées, en employant les invariants de Lorentz.

Numerical studies on the force characteristic of superconducting linear synchronous motor with HTS bulk magnet

NASA Astrophysics Data System (ADS)

Tang, Junjie; Li, Jing; Li, Xiang; Han, Le

2018-03-01

High temperature superconductor (HTS) bulks have significant potential use in linear motor application act as quasi-permanent magnet to replace traditional magnets. Force characteristic between HTS bulk magnet and traveling magnetic field was investigated with numerical simulation and experimental measurement in this paper. Influences of bulk height and number on the force characteristic were studied by the finite element model considering the nonlinear E-J relationship. Study was also made on addition of a back iron plate to the bulk magnet. Besides, force characteristic of bulk was compared with the permanent magnet results. The small initial decrease of the thrust could be explained by inside superconducting current redistribution. It was found that efficiency of linear motor did not increase by adding more bulk magnets. The bulk magnet will be remagnetized instead of erasing trapped field with the increase of the traveling magnetic field strength. The conclusions are helpful in prediction and design the linear motor with HTS bulk magnet.

Nonlinear force-free field modeling of the solar magnetic carpet and comparison with SDO/HMI and Sunrise/IMAX observations

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

Chitta, L. P.; Kariyappa, R.; Van Ballegooijen, A. A.

2014-10-01

In the quiet solar photosphere, the mixed polarity fields form a magnetic carpet that continuously evolves due to dynamical interaction between the convective motions and magnetic field. This interplay is a viable source to heat the solar atmosphere. In this work, we used the line-of-sight (LOS) magnetograms obtained from the Helioseismic and Magnetic Imager on the Solar Dynamics Observatory, and the Imaging Magnetograph eXperiment instrument on the Sunrise balloon-borne observatory, as time-dependent lower boundary conditions, to study the evolution of the coronal magnetic field. We use a magneto-frictional relaxation method, including hyperdiffusion, to produce a time series of three-dimensional nonlinearmore » force-free fields from a sequence of photospheric LOS magnetograms. Vertical flows are added up to a height of 0.7 Mm in the modeling to simulate the non-force-freeness at the photosphere-chromosphere layers. Among the derived quantities, we study the spatial and temporal variations of the energy dissipation rate and energy flux. Our results show that the energy deposited in the solar atmosphere is concentrated within 2 Mm of the photosphere and there is not sufficient energy flux at the base of the corona to cover radiative and conductive losses. Possible reasons and implications are discussed. Better observational constraints of the magnetic field in the chromosphere are crucial to understand the role of the magnetic carpet in coronal heating.« less

First Use of Synoptic Vector Magnetograms for Global Nonlinear, Force-Free Coronal Magnetic Field Models

NASA Technical Reports Server (NTRS)

Tadesse, T.; Wiegelmann, T.; Gosain, S.; MacNeice, P.; Pevtsov, A. A.

2014-01-01

Context. The magnetic field permeating the solar atmosphere is generally thought to provide the energy for much of the activity seen in the solar corona, such as flares, coronal mass ejections (CMEs), etc. To overcome the unavailability of coronal magnetic field measurements, photospheric magnetic field vector data can be used to reconstruct the coronal field. Currently, there are several modelling techniques being used to calculate three-dimensional field lines into the solar atmosphere. Aims. For the first time, synoptic maps of a photospheric-vector magnetic field synthesized from the vector spectromagnetograph (VSM) on Synoptic Optical Long-term Investigations of the Sun (SOLIS) are used to model the coronal magnetic field and estimate free magnetic energy in the global scale. The free energy (i.e., the energy in excess of the potential field energy) is one of the main indicators used in space weather forecasts to predict the eruptivity of active regions. Methods. We solve the nonlinear force-free field equations using an optimization principle in spherical geometry. The resulting threedimensional magnetic fields are used to estimate the magnetic free energy content E(sub free) = E(sub nlfff) - E(sub pot), which is the difference of the magnetic energies between the nonpotential field and the potential field in the global solar corona. For comparison, we overlay the extrapolated magnetic field lines with the extreme ultraviolet (EUV) observations by the atmospheric imaging assembly (AIA) on board the Solar Dynamics Observatory (SDO). Results. For a single Carrington rotation 2121, we find that the global nonlinear force-free field (NLFFF) magnetic energy density is 10.3% higher than the potential one. Most of this free energy is located in active regions.

Experimental validation of a novel stictionless magnetorheological fluid isolator

NASA Astrophysics Data System (ADS)

Kelso, Shawn P.; Denoyer, Keith K.; Blankinship, Ross M.; Potter, Kenneth; Lindler, Jason E.

2003-07-01

Magnetorheological (MR) fluid damper design typically constitutes a piston/dashpot configuration. During reciprocation, the fluid is circulated through the device with the generated pressure providing viscous damping. In addition, the damper is also intended to accommodate off-axis loading; i.e., rotation moments and lateral loads orthogonal to the axis of operation. Typically two sets of seals, one where the piston shaft enters and exits the device and one between the piston and the cylinder wall, maintain alignment of the damper and seal the fluid from leaking. With MR fluid, these seals can act as sources of non-linear friction effects (stiction) and oftentimes possess a shorter lifespan due to the abrasive nature of the ferrous particles suspended in the fluid. Intelligently controlling damping forces must also accommodate the non-linear stiction behavior, which degrades performance. A new, unique MR fluid isolator was designed, fabricated and tested that directly addresses these concerns. The goal of this research was the development of a stiction-free MR isolator whose damping force can be predicted and precisely controlled. This paper presents experimental results for a prototype device and compares those results to model predictions.

Effects of cusped field thruster on the performance of drag-free control system

NASA Astrophysics Data System (ADS)

Cui, K.; Liu, H.; Jiang, W. J.; Sun, Q. Q.; Hu, P.; Yu, D. R.

2018-03-01

With increased measurement tasks of space science, more requirements for the spacecraft environment have been put forward. Those tasks (e.g. the measurement of Earth's steady state gravity field anomalies) lead to the desire for developing drag-free control. Higher requirements for the thruster performance are made due to the demand for the drag-free control system and real-time compensation for non-conservative forces. Those requirements for the propulsion system include wide continuous throttling ability, high resolution, rapid response, low noise and so on. As a promising candidate, the cusped field thruster has features such as the high working stability, the low erosion rate, a long lifetime and the simple structure, so that it is chosen as the thruster to be discussed in this paper. Firstly, the performance of a new cusped field thruster is tested and analyzed. Then a drag-free control scheme based on the cusped field thruster is designed to evaluate the performance of this thruster. Subsequently, the effects of the thrust resolution, transient response time and thrust uncertainty on the controller are calculated respectively. Finally, the performance of closed-loop system is analyzed, and the simulation results verify the feasibility of applying cusped field thruster to drag-free flight in the space science measurement tasks.

Mesoscopic bar magnet based on ε-Fe2O3 hard ferrite.

PubMed

Ohkoshi, Shin-Ichi; Namai, Asuka; Yamaoka, Takehiro; Yoshikiyo, Marie; Imoto, Kenta; Nasu, Tomomichi; Anan, Shizuka; Umeta, Yoshikazu; Nakagawa, Kosuke; Tokoro, Hiroko

2016-06-07

Ferrite magnets have a long history. They are used in motors, magnetic fluids, drug delivery systems, etc. Herein we report a mesoscopic ferrite bar magnet based on rod-shaped ε-Fe2O3 with a large coercive field (>25 kOe). The ε-Fe2O3-based bar magnet is a single crystal with a single magnetic domain along the longitudinal direction. A wide frequency range spectroscopic study shows that the crystallographic a-axis of ε-Fe2O3, which corresponds to the longitudinal direction of the bar magnet, plays an important role in linear and non-linear magneto-optical transitions, phonon modes, and the magnon (Kittel mode). Due to its multiferroic property, a magnetic-responsive non-linear optical sheet is manufactured as an application using an ε-Fe2O3-based bar magnet, resin, and polyethylene terephthalate. Furthermore, from the viewpoint of the large coercive field property, we demonstrate that a mesoscopic ε-Fe2O3 bar magnet can be used as a magnetic force microscopy probe.

Mesoscopic bar magnet based on ɛ-Fe2O3 hard ferrite

NASA Astrophysics Data System (ADS)

Ohkoshi, Shin-Ichi; Namai, Asuka; Yamaoka, Takehiro; Yoshikiyo, Marie; Imoto, Kenta; Nasu, Tomomichi; Anan, Shizuka; Umeta, Yoshikazu; Nakagawa, Kosuke; Tokoro, Hiroko

2016-06-01

Ferrite magnets have a long history. They are used in motors, magnetic fluids, drug delivery systems, etc. Herein we report a mesoscopic ferrite bar magnet based on rod-shaped ɛ-Fe2O3 with a large coercive field (>25 kOe). The ɛ-Fe2O3-based bar magnet is a single crystal with a single magnetic domain along the longitudinal direction. A wide frequency range spectroscopic study shows that the crystallographic a-axis of ɛ-Fe2O3, which corresponds to the longitudinal direction of the bar magnet, plays an important role in linear and non-linear magneto-optical transitions, phonon modes, and the magnon (Kittel mode). Due to its multiferroic property, a magnetic-responsive non-linear optical sheet is manufactured as an application using an ɛ-Fe2O3-based bar magnet, resin, and polyethylene terephthalate. Furthermore, from the viewpoint of the large coercive field property, we demonstrate that a mesoscopic ɛ-Fe2O3 bar magnet can be used as a magnetic force microscopy probe.

Non-contact thrust stand calibration method for repetitively pulsed electric thrusters.

PubMed

Wong, Andrea R; Toftul, Alexandra; Polzin, Kurt A; Pearson, J Boise

2012-02-01

A thrust stand calibration technique for use in testing repetitively pulsed electric thrusters for in-space propulsion has been developed and tested using a modified hanging pendulum thrust stand. In the implementation of this technique, current pulses are applied to a solenoid to produce a pulsed magnetic field that acts against a permanent magnet mounted to the thrust stand pendulum arm. The force on the magnet is applied in this non-contact manner, with the entire pulsed force transferred to the pendulum arm through a piezoelectric force transducer to provide a time-accurate force measurement. Modeling of the pendulum arm dynamics reveals that after an initial transient in thrust stand motion the quasi-steady average deflection of the thrust stand arm away from the unforced or "zero" position can be related to the average applied force through a simple linear Hooke's law relationship. Modeling demonstrates that this technique is universally applicable except when the pulsing period is increased to the point where it approaches the period of natural thrust stand motion. Calibration data were obtained using a modified hanging pendulum thrust stand previously used for steady-state thrust measurements. Data were obtained for varying impulse bit at constant pulse frequency and for varying pulse frequency. The two data sets exhibit excellent quantitative agreement with each other. The overall error on the linear regression fit used to determine the calibration coefficient was roughly 1%.

Collective effect of personal behavior induced preventive measures and differential rate of transmission on spread of epidemics

NASA Astrophysics Data System (ADS)

Sagar, Vikram; Zhao, Yi

2017-02-01

In the present work, the effect of personal behavior induced preventive measures is studied on the spread of epidemics over scale free networks that are characterized by the differential rate of disease transmission. The role of personal behavior induced preventive measures is parameterized in terms of variable λ, which modulates the number of concurrent contacts a node makes with the fraction of its neighboring nodes. The dynamics of the disease is described by a non-linear Susceptible Infected Susceptible model based upon the discrete time Markov Chain method. The network mean field approach is generalized to account for the effect of non-linear coupling between the aforementioned factors on the collective dynamics of nodes. The upper bound estimates of the disease outbreak threshold obtained from the mean field theory are found to be in good agreement with the corresponding non-linear stochastic model. From the results of parametric study, it is shown that the epidemic size has inverse dependence on the preventive measures (λ). It has also been shown that the increase in the average degree of the nodes lowers the time of spread and enhances the size of epidemics.

Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations

NASA Astrophysics Data System (ADS)

Monroe, Jacob I.; Shirts, Michael R.

2014-04-01

Molecular containers such as cucurbit[7]uril (CB7) and the octa-acid (OA) host are ideal simplified model test systems for optimizing and analyzing methods for computing free energies of binding intended for use with biologically relevant protein-ligand complexes. To this end, we have performed initially blind free energy calculations to determine the free energies of binding for ligands of both the CB7 and OA hosts. A subset of the selected guest molecules were those included in the SAMPL4 prediction challenge. Using expanded ensemble simulations in the dimension of coupling host-guest intermolecular interactions, we are able to show that our estimates in most cases can be demonstrated to fully converge and that the errors in our estimates are due almost entirely to the assigned force field parameters and the choice of environmental conditions used to model experiment. We confirm the convergence through the use of alternative simulation methodologies and thermodynamic pathways, analyzing sampled conformations, and directly observing changes of the free energy with respect to simulation time. Our results demonstrate the benefits of enhanced sampling of multiple local free energy minima made possible by the use of expanded ensemble molecular dynamics and may indicate the presence of significant problems with current transferable force fields for organic molecules when used for calculating binding affinities, especially in non-protein chemistries.

Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations.

PubMed

Monroe, Jacob I; Shirts, Michael R

2014-04-01

Molecular containers such as cucurbit[7]uril (CB7) and the octa-acid (OA) host are ideal simplified model test systems for optimizing and analyzing methods for computing free energies of binding intended for use with biologically relevant protein-ligand complexes. To this end, we have performed initially blind free energy calculations to determine the free energies of binding for ligands of both the CB7 and OA hosts. A subset of the selected guest molecules were those included in the SAMPL4 prediction challenge. Using expanded ensemble simulations in the dimension of coupling host-guest intermolecular interactions, we are able to show that our estimates in most cases can be demonstrated to fully converge and that the errors in our estimates are due almost entirely to the assigned force field parameters and the choice of environmental conditions used to model experiment. We confirm the convergence through the use of alternative simulation methodologies and thermodynamic pathways, analyzing sampled conformations, and directly observing changes of the free energy with respect to simulation time. Our results demonstrate the benefits of enhanced sampling of multiple local free energy minima made possible by the use of expanded ensemble molecular dynamics and may indicate the presence of significant problems with current transferable force fields for organic molecules when used for calculating binding affinities, especially in non-protein chemistries.

Suppression of Heating of Coronal Loops Rooted in Opposite Polarity Sunspot Umbrae

NASA Technical Reports Server (NTRS)

Tiwari, Sanjiv K.; Thalmann, Julia K.; Moore, Ronald L.; Panesar, Navdeep K.; Winebarger, Amy R.

2016-01-01

EUV observations of active region (AR) coronae reveal the presence of loops at different temperatures. To understand the mechanisms that result in hotter or cooler loops, we study a typical bipolar AR, near solar disk center, which has moderate overall magnetic twist and at least one fully developed sunspot of each polarity. From AIA 193 and 94 Å images we identify many clearly discernible coronal loops that connect plage or a sunspot of one polarity to an opposite-­polarity plage region. The AIA 94 Å images show dim regions in the umbrae of the spots. To see which coronal loops are rooted in a dim umbral area, we performed a non-linear force-free field (NLFFF) modeling using photospheric vector magnetic field measurements obtained with the Heliosesmic Magnetic Imager (HMI) onboard SDO. The NLFFF model, validated by comparison of calculated model field lines with observed loops in AIA 193 and 94 Å, specifies the photospheric roots of the model field lines. Some model coronal magnetic field lines arch from the dim umbral area of the positive-polarity sunspot to the dim umbral area of a negative-polarity sunspot. Because these coronal loops are not visible in any of the coronal EUV and X-ray images of the AR, we conclude they are the coolest loops in the AR. This result suggests that the loops connecting opposite polarity umbrae are the least heated because the field in umbrae is so strong that the convective braiding of the field is strongly suppressed.

Study of Dynamic Membrane Behavior in Applied DC Electric Field

NASA Astrophysics Data System (ADS)

Dutta, Prashanta; Morshed, Adnan; Hossan, Mohammad

2017-11-01

Electrodeformation of vesicles can be used as a useful tool to understand the characteristics of biological soft matter, where vesicles immersed in a fluid medium are subjected to an applied electric field. The complex response of the vesicle membrane strongly depends on the conductivity of surrounding fluid, vesicle size and shape, and applied electric field We studied the electrodeformation of vesicles immersed in a fluid media under a short DC electric pulse. An immersed interface method is used to solve the electric field over the domain with conductive or non-conductive vesicles while an immersed boundary scheme is employed to solve fluid flow, fluid-solid interaction, membrane mechanics and vesicle movement. Force analysis on the membrane surface reveals almost linear relation with vesicle size, but highly nonlinear influence of applied field as well as the conductivity ratios inside and outside of the vesicle. Results also point towards an early linear deformation regime followed by an equilibrium stage for the membranes. Moreover, significant influence of the initial aspect ratio of the vesicle on the force distribution is observed across a range of conductivity ratios. Research reported in this publication was supported by the National Institute of General Medical Sciences of the National Institutes of Health under Award Number R01GM122081.

Exact Green's function method of solar force-free magnetic-field computations with constant alpha. I - Theory and basic test cases

NASA Technical Reports Server (NTRS)

Chiu, Y. T.; Hilton, H. H.

1977-01-01

Exact closed-form solutions to the solar force-free magnetic-field boundary-value problem are obtained for constant alpha in Cartesian geometry by a Green's function approach. The uniqueness of the physical problem is discussed. Application of the exact results to practical solar magnetic-field calculations is free of series truncation errors and is at least as economical as the approximate methods currently in use. Results of some test cases are presented.

Extracting the potential-well of a near-field optical trap using the Helmholtz-Hodge decomposition

NASA Astrophysics Data System (ADS)

Zaman, Mohammad Asif; Padhy, Punnag; Hansen, Paul C.; Hesselink, Lambertus

2018-02-01

The non-conservative nature of the force field generated by a near-field optical trap is analyzed. A plasmonic C-shaped engraving on a gold film is considered as the trap. The force field is calculated using the Maxwell stress tensor method. The Helmholtz-Hodge decomposition is used to extract the conservative and the non-conservative component of the force. Due to the non-negligible non-conservative component, it is found that the conventional approach of extracting the potential by direct integration of the force is not accurate. Despite the non-conservative nature of the force field, it is found that the statistical properties of a trapped nanoparticle can be estimated from the conservative component of the force field alone. Experimental and numerical results are presented to support the claims.

Triggers and Manifestations of Flare Energy Release in the Low Atmosphere

NASA Astrophysics Data System (ADS)

Kosovichev, A. G.; Sharykin, I. N.; Sadykov, V. M.; Vargas, S.; Zimovets, I. V.

2016-12-01

The main goal is to understand triggers and manifestations of the flare energy release in the lower layers of the solar atmosphere (the photosphere and chromosphere) using high-resolution optical observations and magnetic field measurements. As a case study we present results for an M-class flare. We analyze optical images, HMI Dopplergrams and vector magnetograms, and use Non-Linear Force-Free Field (NLFFF) extrapolation for reconstruction of the magnetic topology. The NLFFF modelling reveals interaction of oppositely directed magnetic flux-tubes in the Polarity Inversion Line (PIL). These two interacting magnetic flux tubes are observed as a compact sheared arcade along the PIL in the high-resolution broad-band continuum images from New Solar Telescope (NST). In the vicinity of the PIL, the NST H-alpha observations reveal formation of a thin three-ribbon structure corresponding to the small-scale photospheric magnetic arcade. Magnetic reconnection is triggered by two interacting magnetic flux tubes with forming current sheet extended along the PIL. Presented observational results evidence in favor of location of the primary energy release site in the dense chromosphere where plasma is partially ionized in the region of strong electric currents concentrated near the polarity inversion line.

Steady MHD free convection heat and mass transfer flow about a vertical porous surface with thermal diffusion and induced magnetic field

NASA Astrophysics Data System (ADS)

Touhid Hossain, M. M.; Afruz-Zaman, Md.; Rahman, Fouzia; Hossain, M. Arif

2013-09-01

In this study the thermal diffusion effect on the steady laminar free convection flow and heat transfer of viscous incompressible MHD electrically conducting fluid above a vertical porous surface is considered under the influence of an induced magnetic field. The governing non-dimensional equations relevant to the problem, containing the partial differential equations, are transformed by usual similarity transformations into a system of coupled non-linear ordinary differential equations and will be solved analytically by using the perturbation technique. On introducing the non-dimensional concept and applying Boussinesq's approximation, the solutions for velocity field, temperature distribution and induced magnetic field to the second order approximations are obtained for large suction with different selected values of the established dimensionless parameters. The influences of these various establish parameters on the velocity and temperature fields and on the induced magnetic fields are exhibited under certain assumptions and are studied graphically in the present analysis. It is observed that the effects of thermal-diffusion and large suction have great importance on the velocity, temperature and induced magnetic fields and mass concentration for several fluids considered, so that their effects should be taken into account with other useful parameters associated. It is also found that the dimensionless Prandtl number, Grashof number, Modified Grashof number and magnetic parameter have an appreciable influence on the concerned independent variables.

Axial calibration methods of piezoelectric load sharing dynamometer

NASA Astrophysics Data System (ADS)

Zhang, Jun; Chang, Qingbing; Ren, Zongjin; Shao, Jun; Wang, Xinlei; Tian, Yu

2018-06-01

The relationship between input and output of load sharing dynamometer is seriously non-linear in different loading points of a plane, so it's significant for accutately measuring force to precisely calibrate the non-linear relationship. In this paper, firstly, based on piezoelectric load sharing dynamometer, calibration experiments of different loading points are performed in a plane. And then load sharing testing system is respectively calibrated based on BP algorithm and ELM (Extreme Learning Machine) algorithm. Finally, the results show that the calibration result of ELM is better than BP for calibrating the non-linear relationship between input and output of loading sharing dynamometer in the different loading points of a plane, which verifies that ELM algorithm is feasible in solving force non-linear measurement problem.

A projection-based model reduction strategy for the wave and vibration analysis of rotating periodic structures

NASA Astrophysics Data System (ADS)

Beli, D.; Mencik, J.-M.; Silva, P. B.; Arruda, J. R. F.

2018-05-01

The wave finite element method has proved to be an efficient and accurate numerical tool to perform the free and forced vibration analysis of linear reciprocal periodic structures, i.e. those conforming to symmetrical wave fields. In this paper, its use is extended to the analysis of rotating periodic structures, which, due to the gyroscopic effect, exhibit asymmetric wave propagation. A projection-based strategy which uses reduced symplectic wave basis is employed, which provides a well-conditioned eigenproblem for computing waves in rotating periodic structures. The proposed formulation is applied to the free and forced response analysis of homogeneous, multi-layered and phononic ring structures. In all test cases, the following features are highlighted: well-conditioned dispersion diagrams, good accuracy, and low computational time. The proposed strategy is particularly convenient in the simulation of rotating structures when parametric analysis for several rotational speeds is usually required, e.g. for calculating Campbell diagrams. This provides an efficient and flexible framework for the analysis of rotordynamic problems.

Response statistics of rotating shaft with non-linear elastic restoring forces by path integration

NASA Astrophysics Data System (ADS)

Gaidai, Oleg; Naess, Arvid; Dimentberg, Michael

2017-07-01

Extreme statistics of random vibrations is studied for a Jeffcott rotor under uniaxial white noise excitation. Restoring force is modelled as elastic non-linear; comparison is done with linearized restoring force to see the force non-linearity effect on the response statistics. While for the linear model analytical solutions and stability conditions are available, it is not generally the case for non-linear system except for some special cases. The statistics of non-linear case is studied by applying path integration (PI) method, which is based on the Markov property of the coupled dynamic system. The Jeffcott rotor response statistics can be obtained by solving the Fokker-Planck (FP) equation of the 4D dynamic system. An efficient implementation of PI algorithm is applied, namely fast Fourier transform (FFT) is used to simulate dynamic system additive noise. The latter allows significantly reduce computational time, compared to the classical PI. Excitation is modelled as Gaussian white noise, however any kind distributed white noise can be implemented with the same PI technique. Also multidirectional Markov noise can be modelled with PI in the same way as unidirectional. PI is accelerated by using Monte Carlo (MC) estimated joint probability density function (PDF) as initial input. Symmetry of dynamic system was utilized to afford higher mesh resolution. Both internal (rotating) and external damping are included in mechanical model of the rotor. The main advantage of using PI rather than MC is that PI offers high accuracy in the probability distribution tail. The latter is of critical importance for e.g. extreme value statistics, system reliability, and first passage probability.

Cosmic Vorticity and the Origin Halo Spins

NASA Astrophysics Data System (ADS)

Libeskind, Noam I.; Hoffman, Yehuda; Steinmetz, Matthias; Gottlöber, Stefan; Knebe, Alexander; Hess, Steffen

2013-04-01

In the standard model of cosmology, structure emerges out of a non-rotational flow and the angular momentum of collapsing halos is induced by tidal torques. The growth of angular momentum in the linear and quasi-linear phases is associated with a shear, curl-free, flow and it is well described within the linear framework of tidal torque theory (TTT). However, TTT ceases to be applicable as halos approach turnaround when their ambient flow field becomes rotational. Subsequently, halos become embedded in a vortical flow field and the growth of their angular momentum is affected by the vorticity of their ambient velocity field. Using a cosmological simulation, we have examined the importance of the curl of the velocity field in determining halo spin, finding a significant alignment between the two: the vorticity tends to be perpendicular to the axis of the fastest collapse of the velocity shear tensor (e 1). This is independent of halo masses and cosmic web environment. Our results agree with previous findings on the tendency of halo spin to be perpendicular to e 1, and of the spin of (simulated) halos and (observed) galaxies to be aligned with the large-scale structure. It follows that angular momentum growth proceeds in two distinct phases. First, the angular momentum emerges out of a shear, curl-free, potential flow, as described by TTT. In the second phase, in which halos approach virialization, the angular momentum emerges out of a vortical flow and halo spin becomes partially aligned with the vorticity of the ambient flow field.

Quantitative Assessment of Force Fields on Both Low-Energy Conformational Basins and Transition-State Regions of the (ϕ-ψ) Space.

PubMed

Liu, Zhiwei; Ensing, Bernd; Moore, Preston B

2011-02-08

The free energy surfaces (FESs) of alanine dipeptide are studied to illustrate a new strategy to assess the performance of classical molecular mechanics force field on the full range of the (ϕ-ψ) conformational space. The FES is obtained from metadynamics simulations with five commonly used force fields and from ab initio density functional theory calculations in both gas phase and aqueous solution. The FESs obtained at the B3LYP/6-311+G(2d,p)//B3LYP/6-31G(d,p) level of theory are validated by comparison with previously reported MP2 and LMP2 results as well as with experimentally obtained probability distribution between the C5-β (or β-PPII) and αR states. A quantitative assessment is made for each force field in three conformational basins, LeRI (C5-β-C7eq), LeRII (β2-αR), and LeRIII(αL-C7ax-αD) as well as three transition-state regions linking the above conformational basins. The performance of each force field is evaluated in terms of the average free energy of each region in comparison with that of the ab initio results. We quantify how well a force field FES matches the ab initio FES through the calculation of the standard deviation of a free energy difference map between the two FESs. The results indicate that the performance varies largely from region to region or from force field to force field. Although not one force field is able to outperform all others in all conformational areas, the OPLSAA/L force field gives the best performance overall, followed by OPLSAA and AMBER03. For the three top performers, the average free energies differ from the corresponding ab initio values from within the error range (<0.4 kcal/mol) to ∼1.5 kcal/mol for the low-energy regions and up to ∼2.0 kcal/mol for the transition-state regions. The strategy presented and the results obtained here should be useful for improving the parametrization of force fields targeting both accuracy in the energies of conformers and the transition-state barriers.

Fluorosilicone and silicone o-ring aging study.

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

Bernstein, Robert; Gillen, Kenneth T.

2007-10-01

Fluorosilicone o-ring aging studies were performed. These studies examined the compressive force loss of fluorosilicone o-rings at accelerated (elevated) temperatures and were then used to make predictions about force loss at room temperature. The results were non-Arrhenius with evidence for a lowering in Arrhenius activation energies as the aging temperature was reduced. The compression set of these fluorosilicone o-rings was found to have a reasonably linear correlation with the force loss. The aging predictions based on using the observed curvature of the Arrhenius aging plots were validated by field aged o-rings that yielded degradation values reasonably close to the predictions.more » Compression set studies of silicone o-rings from a previous study resulted in good correlation to the force loss predictions for the fluorosilicone o-rings from this study. This resulted in a preliminary conclusion that an approximately linear correlation exists between compression set and force decay values for typical fluorosilicone and silicone materials, and that the two materials age at similar rates at low temperatures. Interestingly, because of the observed curvature of the Arrhenius plots available from longer-term, lower temperature accelerated exposures, both materials had faster force decay curves (and correspondingly faster buildup of compression set) at room temperature than anticipated from typical high-temperature exposures. A brief study on heavily filled conducting silicone o-rings resulted in data that deviated from the linear relationship, implying that a degree of caution must be exercised about any general statement relating force decay and compression set.« less

Relativistic Linear Restoring Force

ERIC Educational Resources Information Center

Clark, D.; Franklin, J.; Mann, N.

2012-01-01

We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…

Integration and Interoperability of Special Operations Forces and Conventional Forces in Irregular Warfare

DTIC Science & Technology

2009-06-12

Phasing Model ......................................................................................................9 Figure 2. The Continuum of...the communist periphery. In a high-intensity conflict, doctrine at the time called for conventional forces to fight the traditional, linear fight...operations and proximity of cross component forces in a non- linear battlespace – Rigid business rules, translator applications, or manual workarounds to

Instabilities in free-surface Hartmann flow at low magnetic Prandtl numbers

NASA Astrophysics Data System (ADS)

Giannakis, Dimitrios

2009-06-01

Free-surface Hartmann flow is the parallel flow of a viscous, electrically conducting, capillary fluid on a planar surface, subject to gravity and a flow- normal magnetic field. This type of flow arises in a variety of industrial and astrophysical contexts, including liquid-metal walls in fusion devices, heavy- ion accelerator targets, and surface layers of white dwarfs and neutron stars. Typically, the Reynolds number, Re >10 4 , is high, and the background magnetic field is strong ( Ha >100, where the Hartmann number, Ha , measures the square root of the ratio of electromagnetic to viscous forces). On the other hand, the magnetic Prandtl number, Pm (the ratio of viscous to magnetic diffusivity), of laboratory fluids is small (e.g., Pm <10 -4 for liquid metals), as is the case in a number of astrophysical models. When the background magnetic field is zero, free-surface Hartmann flow exhibits the so-called soft and hard instability modes; the former being a surface wave destabilized by viscous stresses acting on the free surface, whereas the latter is a shear mode destabilized by positive Reynolds stress associated with an internal critical layer. We study in detail the influence of the external magnetic field on these two instabilities, working in the regime Pm <10^-4. We also consider flows in the inductionless limit, Pr [arrow right]0, where magnetic field perturbations diffuse infinitely fast, and the sole MHD effect is a Lorentz force arising from currents induced by the perturbed fluid motion within the background magnetic field. We have developed a spectral Galerkin method to solve the coupled Orr- Sommerfeld and induction equations, which, in conjunction with suitable stress conditions at the free surface and continuity conditions for the magnetic field, govern the linear stability of free-surface Hartmann flow. Our scheme's discrete bases for the velocity and magnetic fields consist of linear combinations of Legendre polynomials, chosen according to the order of the Sobolev spaces of the continuous problem. The orthogonality properties of the bases solve the matrix-coefficient growth problem of the discrete stability operators, and eigenvalue-eigenfunction pairs can be computed stably at spectral orders at least as large as p =3000 with p -independent roundoff error. We find that, because it is a critical-layer instability (moderately modified by the presence of the free surface), the hard mode exhibits similar behavior to the even unstable mode in the corresponding closed-channel flow, in terms of both the weak influence of Pm on its neutral-stability curve and the monotonic increase of its critical Reynolds number, Re c , with the Hartmann number. In contrast, the soft mode's stability properties exhibit the novel behavior of differing markedly between problems with small, but nonzero, Pm and their counterparts in the inductionless limit. Notably, the critical Reynolds number of the soft mode grows exponentially with Ha in inductionless problems, but when Pm is nonzero that growth is suppressed to either a sublinearly increasing, or a decreasing function of Ha (respectively when the lower wall is an electrical insulator or a perfect conductor). In the insulating-wall case, we also observe pairs of counter-propagating Alfvén waves, the upstream- propagating wave undergoing an instability at high Alfvén numbers. We attribute the observed Pm -sensitivity of the soft instability to the strong-field behavior of the participating inductionless mode, which, even though stabilized by the magnetic field, approaches neutral stability as Ha grows. This near-equilibrium is consistent with a balance between Lorentz and gravitational forces, and renders the mode susceptible to effects associated with the dynamical response of the magnetic field to the flow (which vanishes in the inductionless limit), even when the magnetic diffusivity is large. The boundary conditions play a major role in the magnetic field response to the flow, since they determine (i) the properties of the steady-state induced current, which couples magnetic perturbations to the velocity field, and (ii) the presence or not of magnetic modes in the spectrum (these modes are not part of the spectrum of conducting-wall problems), which interact with the hydrodynamic ones, including the soft mode. In general, our analysis indicates that the inductionless approximation must be used with caution when dealing with free-surface MHD.

Thermal Motion and Forced Migration of Colloidal Particles Generate Hydrostatic Pressure in Solvent

PubMed Central

Hammel, H. T.; Scholander, P. F.

1973-01-01

A colloidal solution of ferrite particles in an osmometer has been used to demonstrate that the property that propels water across the semipermeable membrane is the decrease in hydrostatic pressure in the water of the solution. A magnetic field gradient directed so as to force the ferrite particles away from the semipermeable membrane of the osmometer and toward the free surface of the solution enhanced the colloidal osmotic pressure. The enhancement of this pressure was always exactly equal to the augmentation of the pressure as measured by the outward force of the particles, against the area of the free surface. Contrariwise, directing the magnetic field gradient so as to force the ferrite particles away from the free surface and toward the semipermeable membrane diminished the colloidal osmotic pressure of the solution. For a sufficiently forceful field gradient, the initial colloidal osmotic pressure could be negative, followed by an equilibrium pressure approaching zero regardless of the force of the particles against the membrane. Thus, the osmotic pressure of a solution is to be attributed to the pressure in the solvent generated in opposition to the pressure of the solute particles caused by their interaction with the free surface (Brownian motion and/or an external field force), or by their viscous shear when they migrate through the solvent, or both. PMID:16592046

An integral equation-based numerical solver for Taylor states in toroidal geometries

NASA Astrophysics Data System (ADS)

O'Neil, Michael; Cerfon, Antoine J.

2018-04-01

We present an algorithm for the numerical calculation of Taylor states in toroidal and toroidal-shell geometries using an analytical framework developed for the solution to the time-harmonic Maxwell equations. Taylor states are a special case of what are known as Beltrami fields, or linear force-free fields. The scheme of this work relies on the generalized Debye source representation of Maxwell fields and an integral representation of Beltrami fields which immediately yields a well-conditioned second-kind integral equation. This integral equation has a unique solution whenever the Beltrami parameter λ is not a member of a discrete, countable set of resonances which physically correspond to spontaneous symmetry breaking. Several numerical examples relevant to magnetohydrodynamic equilibria calculations are provided. Lastly, our approach easily generalizes to arbitrary geometries, both bounded and unbounded, and of varying genus.

Base drive circuit

DOEpatents

Lange, A.C.

1995-04-04

An improved base drive circuit having a level shifter for providing bistable input signals to a pair of non-linear delays. The non-linear delays provide gate control to a corresponding pair of field effect transistors through a corresponding pair of buffer components. The non-linear delays provide delayed turn-on for each of the field effect transistors while an associated pair of transistors shunt the non-linear delays during turn-off of the associated field effect transistor. 2 figures.

Computational process to study the wave propagation In a non-linear medium by quasi- linearization

NASA Astrophysics Data System (ADS)

Sharath Babu, K.; Venkata Brammam, J.; Baby Rani, CH

2018-03-01

Two objects having distinct velocities come into contact an impact can occur. The impact study i.e., in the displacement of the objects after the impact, the impact force is function of time‘t’ which is behaves similar to compression force. The impact tenure is very short so impulses must be generated subsequently high stresses are generated. In this work we are examined the wave propagation inside the object after collision and measured the object non-linear behavior in the one-dimensional case. Wave transmission is studied by means of material acoustic parameter value. The objective of this paper is to present a computational study of propagating pulsation and harmonic waves in nonlinear media using quasi-linearization and subsequently utilized the central difference scheme. This study gives focus on longitudinal, one- dimensional wave propagation. In the finite difference scheme Non-linear system is reduced to a linear system by applying quasi-linearization method. The computed results exhibit good agreement on par with the selected non-liner wave propagation.

Analysis of the Free-Energy Surface of Proteins from Reversible Folding Simulations

PubMed Central

Allen, Lucy R.; Krivov, Sergei V.; Paci, Emanuele

2009-01-01

Computer generated trajectories can, in principle, reveal the folding pathways of a protein at atomic resolution and possibly suggest general and simple rules for predicting the folded structure of a given sequence. While such reversible folding trajectories can only be determined ab initio using all-atom transferable force-fields for a few small proteins, they can be determined for a large number of proteins using coarse-grained and structure-based force-fields, in which a known folded structure is by construction the absolute energy and free-energy minimum. Here we use a model of the fast folding helical λ-repressor protein to generate trajectories in which native and non-native states are in equilibrium and transitions are accurately sampled. Yet, representation of the free-energy surface, which underlies the thermodynamic and dynamic properties of the protein model, from such a trajectory remains a challenge. Projections over one or a small number of arbitrarily chosen progress variables often hide the most important features of such surfaces. The results unequivocally show that an unprojected representation of the free-energy surface provides important and unbiased information and allows a simple and meaningful description of many-dimensional, heterogeneous trajectories, providing new insight into the possible mechanisms of fast-folding proteins. PMID:19593364

Analysis of the free-energy surface of proteins from reversible folding simulations.

PubMed

Allen, Lucy R; Krivov, Sergei V; Paci, Emanuele

2009-07-01

Computer generated trajectories can, in principle, reveal the folding pathways of a protein at atomic resolution and possibly suggest general and simple rules for predicting the folded structure of a given sequence. While such reversible folding trajectories can only be determined ab initio using all-atom transferable force-fields for a few small proteins, they can be determined for a large number of proteins using coarse-grained and structure-based force-fields, in which a known folded structure is by construction the absolute energy and free-energy minimum. Here we use a model of the fast folding helical lambda-repressor protein to generate trajectories in which native and non-native states are in equilibrium and transitions are accurately sampled. Yet, representation of the free-energy surface, which underlies the thermodynamic and dynamic properties of the protein model, from such a trajectory remains a challenge. Projections over one or a small number of arbitrarily chosen progress variables often hide the most important features of such surfaces. The results unequivocally show that an unprojected representation of the free-energy surface provides important and unbiased information and allows a simple and meaningful description of many-dimensional, heterogeneous trajectories, providing new insight into the possible mechanisms of fast-folding proteins.

Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

USGS Publications Warehouse

Lee, M.W.; Meuwly, M.

2013-01-01

The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

Vortex Escape from Columnar Defect in a Current-Loaded Superconductor

NASA Astrophysics Data System (ADS)

Fedirko, V. A.; Kasatkin, A. L.; Polyakov, S. V.

2018-06-01

The problem of Abrikosov vortices depinning from extended linear (columnar) defect in 3D-anisotropic superconductor film under non-uniformly distributed Lorentz force is studied for the case of low temperatures, disregarding thermal activation processes. We treat it as a problem of mechanical behavior of an elastic vortex string settled in a potential well of a linear defect and exerted to Lorentz force action within the screening layer about the London penetration depth near the specimen surface. The stability problem for the vortex pinning state is investigated by means of numerical modeling, and conditions for the instability threshold are obtained as well as the critical current density j_c and its dependence on the film thickness and magnetic field orientation. The instability leading to vortex depinning from extended linear defect first emerges near the surface and then propagates inside the superconductor. This scenario of vortex depinning mechanism at low temperatures is strongly supported by some recent experiments on high-Tc superconductors and other novel superconducting materials, containing columnar defects of various nature.

The calculation of force-free fields from discrete flux distributions. [for chromospheric magnetic fields

NASA Technical Reports Server (NTRS)

Sheeley, N. R., Jr.; Harvey, J. W.

1975-01-01

This paper presents particularly simple mathematical formulas for the calculation of force-free fields of constant alpha from the distribution of discrete sources on a flat surface. The advantage of these formulas lies in their physical simplicity and the fact that they can be easily used in practice to calculate the fields. The disadvantage is that they are limited to fields of 'sufficiently small alpha'. These formulas may be useful in the study of chromospheric magnetic fields by the comparison of high-resolution H-alpha photographs and photospheric magnetograms.

Hamiltonian of Mean Force and Dissipative Scalar Field Theory

NASA Astrophysics Data System (ADS)

Jafari, Marjan; Kheirandish, Fardin

2018-04-01

Quantum dynamics of a dissipative scalar field is investigated. Using the Hamiltonian of mean force, internal energy, free energy and entropy of a dissipative scalar field are obtained. It is shown that a dissipative massive scalar field can be considered as a free massive scalar field described by an effective mass and dispersion relation. Internal energy of the scalar field, as the subsystem, is found in the limit of low temperature and weak and strong couplings to an Ohimc heat bath. Correlation functions for thermal and coherent states are derived.

Electrostatic and aerodynamic forced vibrations of a thin flexible electrode: Quasi-periodic vs. chaotic oscillations.

PubMed

Madanu, Sushma B; Barbel, Stanley I; Ward, Thomas

2016-06-01

In this paper, transverse vibrations of an electrostatically actuated thin flexible cantilever perturbed by low-speed air flow are studied using both experiments and numerical modeling. In the experiments, the dynamic characteristics of the cantilever are studied by supplying a DC voltage with an AC component for electrostatic forcing and a constant uniform air flow around the cantilever system for aerodynamic forcing. A range of control parameters leading to stable vibrations are established using a dimensionless operating parameter that is the ratio of the induced and the free stream velocities. Numerical results are validated with experimental data. Assuming the amplitude of vibrations are small, then a non-linear dynamic Euler-Bernoulli beam equation with viscous damping and gravitational effects is used to model the equation of motion. Aerodynamic forcing is modelled as a temporally sinusoidal and uniform force acting perpendicular to the beam length. The forcing amplitude is found to be proportional to the square of the air flow velocity. Numerical results strongly agree with the experiments predicting accurate vibration amplitude, displacement frequency, and quasi-periodic displacement of the cantilever tip.

Non-potential Field Formation in the X-shaped Quadrupole Magnetic Field Configuration

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

Kawabata, Y.; Shimizu, T.; Inoue, S., E-mail: kawabata.yusuke@ac.jaxa.jp

Some types of solar flares are observed in X-shaped quadrupolar field configuration. To understand the magnetic energy storage in such a region, we studied non-potential field formation in an X-shaped quadrupolar field region formed in the active region NOAA 11967, which produced three X-shaped M-class flares on 2014 February 2. Nonlinear force-free field modeling was applied to a time series of vector magnetic field maps from the Solar Optical Telescope on board Hinode and the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory . Our analysis of the temporal three-dimensional magnetic field evolution shows that the sufficient freemore » energy had already been stored more than 10 hr before the occurrence of the first M-class flare and that the storage was observed in a localized region. In this localized region, quasi-separatrix layers (QSLs) started to develop gradually from 9 hr before the first M-class flare. One of the flare ribbons that appeared in the first M-class flare was co-spatial with the location of the QSLs, suggesting that the formation of the QSLs is important in the process of energy release. These QSLs do not appear in the potential field calculation, indicating that they were created by the non-potential field. The formation of the QSLs was associated with the transverse photospheric motion of the pre-emerged flux and the emergence of a new flux. This observation indicates that the occurrence of the flares requires the formation of QSLs in the non-potential field in which free magnetic energy is stored in advance.« less

Improved assumed-stress hybrid shell element with drilling degrees of freedom for linear stress, buckling, and free vibration analyses

NASA Technical Reports Server (NTRS)

Rengarajan, Govind; Aminpour, Mohammad A.; Knight, Norman F., Jr.

1992-01-01

An improved four-node quadrilateral assumed-stress hybrid shell element with drilling degrees of freedom is presented. The formulation is based on Hellinger-Reissner variational principle and the shape functions are formulated directly for the four-node element. The element has 12 membrane degrees of freedom and 12 bending degrees of freedom. It has nine independent stress parameters to describe the membrane stress resultant field and 13 independent stress parameters to describe the moment and transverse shear stress resultant field. The formulation encompasses linear stress, linear buckling, and linear free vibration problems. The element is validated with standard tests cases and is shown to be robust. Numerical results are presented for linear stress, buckling, and free vibration analyses.

Implicit Plasma Kinetic Simulation Using The Jacobian-Free Newton-Krylov Method

NASA Astrophysics Data System (ADS)

Taitano, William; Knoll, Dana; Chacon, Luis

2009-11-01

The use of fully implicit time integration methods in kinetic simulation is still area of algorithmic research. A brute-force approach to simultaneously including the field equations and the particle distribution function would result in an intractable linear algebra problem. A number of algorithms have been put forward which rely on an extrapolation in time. They can be thought of as linearly implicit methods or one-step Newton methods. However, issues related to time accuracy of these methods still remain. We are pursuing a route to implicit plasma kinetic simulation which eliminates extrapolation, eliminates phase-space from the linear algebra problem, and converges the entire nonlinear system within a time step. We accomplish all this using the Jacobian-Free Newton-Krylov algorithm. The original research along these lines considered particle methods to advance the distribution function [1]. In the current research we are advancing the Vlasov equations on a grid. Results will be presented which highlight algorithmic details for single species electrostatic problems and coupled ion-electron electrostatic problems. [4pt] [1] H. J. Kim, L. Chac'on, G. Lapenta, ``Fully implicit particle in cell algorithm,'' 47th Annual Meeting of the Division of Plasma Physics, Oct. 24-28, 2005, Denver, CO

Fitting and forecasting coupled dark energy in the non-linear regime

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

Casas, Santiago; Amendola, Luca; Pettorino, Valeria

2016-01-01

We consider cosmological models in which dark matter feels a fifth force mediated by the dark energy scalar field, also known as coupled dark energy. Our interest resides in estimating forecasts for future surveys like Euclid when we take into account non-linear effects, relying on new fitting functions that reproduce the non-linear matter power spectrum obtained from N-body simulations. We obtain fitting functions for models in which the dark matter-dark energy coupling is constant. Their validity is demonstrated for all available simulations in the redshift range 0z=–1.6 and wave modes below 0k=1 h/Mpc. These fitting formulas can be used tomore » test the predictions of the model in the non-linear regime without the need for additional computing-intensive N-body simulations. We then use these fitting functions to perform forecasts on the constraining power that future galaxy-redshift surveys like Euclid will have on the coupling parameter, using the Fisher matrix method for galaxy clustering (GC) and weak lensing (WL). We find that by using information in the non-linear power spectrum, and combining the GC and WL probes, we can constrain the dark matter-dark energy coupling constant squared, β{sup 2}, with precision smaller than 4% and all other cosmological parameters better than 1%, which is a considerable improvement of more than an order of magnitude compared to corresponding linear power spectrum forecasts with the same survey specifications.« less

Structure of Aristotelian electrodynamics

NASA Astrophysics Data System (ADS)

Jacobson, Ted

2015-07-01

Aristotelian electrodynamics (AE) describes the regime of a plasma with a very strong electric field that is not shorted out, with the charge current determined completely by pair production and the balance of the Lorentz 4-force against the curvature radiation reaction. Here it is shown how the principal null directions and associated eigenvalues of the field tensor govern AE, and how force-free electrodynamics arises smoothly from AE when the eigenvalues (and therefore the electric field in some frame) vanish. A criterion for validity of AE and force-free electrodynamics is proposed in terms of a pair of "field curvature scalars" formed from the first derivative of the principal null directions.

Elasto-dynamic analysis of spinning nanodisks via a surface energy-based model

NASA Astrophysics Data System (ADS)

Kiani, Keivan

2016-07-01

Using the surface elasticity theory of Gurtin and Murdoch, in-plane vibrations of annular nanodisks due to their rotary motion are explored. By the imposition of non-classical boundary conditions on the innermost and outermost surfaces and employing Hamilton’s principle, the unknown elasto-dynamic fields of the bulk zone are determined via the finite element method. The roles of both nanodisk geometry and surface effect on the natural frequencies are addressed. Subsequently, forced vibrations of spinning nanodisks with fixed-free and free-free boundary conditions are comprehensively examined. The obtained results show that the maximum dynamic elastic fields grow in a parabolic manner as the steady angular velocity increases. By increasing the outermost radius, the maximum dynamic elastic field is magnified and the influence of the surface effect on the results reduced. This work can be considered as a pivotal step towards optimal design and dynamic analysis of nanorotors with disk-like parts, which are one of the basic building blocks of the upcoming advanced nanotechnologies.

Laser-Induced Linear-Field Particle Acceleration in Free Space

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

Wong, Liang Jie; Hong, Kyung -Han; Carbajo, Sergio

Linear-field particle acceleration in free space (which is distinct from geometries like the linac that requires components in the vicinity of the particle) has been studied for over 20 years, and its ability to eventually produce high-quality, high energy multi-particle bunches has remained a subject of great interest. Arguments can certainly be made that linear-field particle acceleration in free space is very doubtful given that first-order electron-photon interactions are forbidden in free space. Nevertheless, we chose to develop an accurate and truly predictive theoretical formalism to explore this remote possibility when intense, few-cycle electromagnetic pulses are used in a computationalmore » experiment. The formalism includes exact treatment of Maxwell’s equations and exact treatment of the interaction among the multiple individual particles at near and far field. Several surprising results emerge. We find that electrons interacting with intense laser pulses in free space are capable of gaining substantial amounts of energy that scale linearly with the feld amplitude. For example, 30keV electrons (2.5% energy spread) are accelerated to 61MeV (0.5% spread) and to 205MeV (0.25% spread) using 250 mJ and 2.5J lasers respectively. Furthermore, these findings carry important implications for our understanding of ultrafast electron-photon interactions in strong fields.« less

Laser-Induced Linear-Field Particle Acceleration in Free Space

DOE PAGES

Wong, Liang Jie; Hong, Kyung -Han; Carbajo, Sergio; ...

2017-09-11

Linear-field particle acceleration in free space (which is distinct from geometries like the linac that requires components in the vicinity of the particle) has been studied for over 20 years, and its ability to eventually produce high-quality, high energy multi-particle bunches has remained a subject of great interest. Arguments can certainly be made that linear-field particle acceleration in free space is very doubtful given that first-order electron-photon interactions are forbidden in free space. Nevertheless, we chose to develop an accurate and truly predictive theoretical formalism to explore this remote possibility when intense, few-cycle electromagnetic pulses are used in a computationalmore » experiment. The formalism includes exact treatment of Maxwell’s equations and exact treatment of the interaction among the multiple individual particles at near and far field. Several surprising results emerge. We find that electrons interacting with intense laser pulses in free space are capable of gaining substantial amounts of energy that scale linearly with the feld amplitude. For example, 30keV electrons (2.5% energy spread) are accelerated to 61MeV (0.5% spread) and to 205MeV (0.25% spread) using 250 mJ and 2.5J lasers respectively. Furthermore, these findings carry important implications for our understanding of ultrafast electron-photon interactions in strong fields.« less

Linear response and correlation of a self-propelled particle in the presence of external fields

NASA Astrophysics Data System (ADS)

Caprini, Lorenzo; Marini Bettolo Marconi, Umberto; Vulpiani, Angelo

2018-03-01

We study the non-equilibrium properties of non interacting active Ornstein-Uhlenbeck particles (AOUP) subject to an external nonuniform field using a Fokker-Planck approach with a focus on the linear response and time-correlation functions. In particular, we compare different methods to compute these functions including the unified colored noise approximation (UCNA). The AOUP model, described by the position of the particle and the active force acting on it, is usually mapped into a Markovian process, describing the motion of a fictitious passive particle in terms of its position and velocity, where the effect of the activity is transferred into a position-dependent friction. We show that the form of the response function of the AOUP depends on whether we put the perturbation on the position and keep unperturbed the active force in the original variables or perturb the position and maintain unperturbed the velocity in the transformed variables. Indeed, as a result of the change of variables the perturbation on the position becomes a perturbation both on the position and on the fictitious velocity. We test these predictions by considering the response for three types of convex potentials: quadratic, quartic and double-well potential. Moreover, by comparing the response of the AOUP model with the corresponding response of the UCNA model we conclude that although the stationary properties are fairly well approximated by the UCNA, the non equilibrium properties are not, an effect which is not negligible when the persistence time is large.

Tackling non-linearities with the effective field theory of dark energy and modified gravity

NASA Astrophysics Data System (ADS)

Frusciante, Noemi; Papadomanolakis, Georgios

2017-12-01

We present the extension of the effective field theory framework to the mildly non-linear scales. The effective field theory approach has been successfully applied to the late time cosmic acceleration phenomenon and it has been shown to be a powerful method to obtain predictions about cosmological observables on linear scales. However, mildly non-linear scales need to be consistently considered when testing gravity theories because a large part of the data comes from those scales. Thus, non-linear corrections to predictions on observables coming from the linear analysis can help in discriminating among different gravity theories. We proceed firstly by identifying the necessary operators which need to be included in the effective field theory Lagrangian in order to go beyond the linear order in perturbations and then we construct the corresponding non-linear action. Moreover, we present the complete recipe to map any single field dark energy and modified gravity models into the non-linear effective field theory framework by considering a general action in the Arnowitt-Deser-Misner formalism. In order to illustrate this recipe we proceed to map the beyond-Horndeski theory and low-energy Hořava gravity into the effective field theory formalism. As a final step we derived the 4th order action in term of the curvature perturbation. This allowed us to identify the non-linear contributions coming from the linear order perturbations which at the next order act like source terms. Moreover, we confirm that the stability requirements, ensuring the positivity of the kinetic term and the speed of propagation for scalar mode, are automatically satisfied once the viability of the theory is demanded at linear level. The approach we present here will allow to construct, in a model independent way, all the relevant predictions on observables at mildly non-linear scales.

Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

PubMed Central

Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

2015-01-01

Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

Calculating binding free energies of host-guest systems using the AMOEBA polarizable force field.

PubMed

Bell, David R; Qi, Rui; Jing, Zhifeng; Xiang, Jin Yu; Mejias, Christopher; Schnieders, Michael J; Ponder, Jay W; Ren, Pengyu

2016-11-09

Molecular recognition is of paramount interest in many applications. Here we investigate a series of host-guest systems previously used in the SAMPL4 blind challenge by using molecular simulations and the AMOEBA polarizable force field. The free energy results computed by Bennett's acceptance ratio (BAR) method using the AMOEBA polarizable force field ranked favorably among the entries submitted to the SAMPL4 host-guest competition [Muddana, et al., J. Comput.-Aided Mol. Des., 2014, 28, 305-317]. In this work we conduct an in-depth analysis of the AMOEBA force field host-guest binding thermodynamics by using both BAR and the orthogonal space random walk (OSRW) methods. The binding entropy-enthalpy contributions are analyzed for each host-guest system. For systems of inordinate binding entropy-enthalpy values, we further examine the hydrogen bonding patterns and configurational entropy contribution. The binding mechanism of this series of host-guest systems varies from ligand to ligand, driven by enthalpy and/or entropy changes. Convergence of BAR and OSRW binding free energy methods is discussed. Ultimately, this work illustrates the value of molecular modelling and advanced force fields for the exploration and interpretation of binding thermodynamics.

Electric Field Controlled Magnetism in BiFeO3/Ferromagnet Films

NASA Astrophysics Data System (ADS)

Barry, M.; Lee, K.; Chu, Y. H.; Yang, P. L.; Martin, L. W.; Jenkins, C. A.; Ramesh, R.; Scholl, A.; Doran, A.

2007-03-01

BiFeO3 is the only single phase room temperature multiferroic that is currently known. Not only does it have applications as a lead-free replacement for ferroelectric memory cells and piezoelectric sensors, but its interactions with other materials are now attracting a great deal of attention. Its multiferroic nature has potential in the field of exchange bias, where it could allow electric-field control of the ferromagnetic (FM) magnetization. In order to understand this coupling, an understanding of the magnetization in BiFeO3 is necessary. X-ray linear and circular dichroism images were obtained using a high spatial resolution photoelectron emission microscope (PEEM), allowing elemental specificity and surface sensitivity. A piezoelectric force microscope (PFM) was used to map the ferroelectric state in micron-sized regions of the films, which were then probed using crystallographic measurements and temperature dependent PEEM measurements. Temperature dependent structural measurements allow decoupling of the two order parameters, ferroelectric and magnetic, contributing to the photoemission signal. Careful analysis of linear and circular dichroism images allows determination of magnetic directions in BiFeO3 and FM layers.

One-dimensional Vlasov-Maxwell equilibrium for the force-free Harris sheet.

PubMed

Harrison, Michael G; Neukirch, Thomas

2009-04-03

In this Letter, the first nonlinear force-free Vlasov-Maxwell equilibrium is presented. One component of the equilibrium magnetic field has the same spatial structure as the Harris sheet, but whereas the Harris sheet is kept in force balance by pressure gradients, in the force-free solution presented here force balance is maintained by magnetic shear. Magnetic pressure, plasma pressure and plasma density are constant. The method used to find the equilibrium is based on the analogy of the one-dimensional Vlasov-Maxwell equilibrium problem to the motion of a pseudoparticle in a two-dimensional conservative potential. The force-free solution can be generalized to a complete family of equilibria that describe the transition between the purely pressure-balanced Harris sheet to the force-free Harris sheet.

Bigravity from gradient expansion

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

Yamashita, Yasuho; Tanaka, Takahiro; Department of Physics, Kyoto University,606-8502, Kyoto

2016-05-04

We discuss how the ghost-free bigravity coupled with a single scalar field can be derived from a braneworld setup. We consider DGP two-brane model without radion stabilization. The bulk configuration is solved for given boundary metrics, and it is substituted back into the action to obtain the effective four-dimensional action. In order to obtain the ghost-free bigravity, we consider the gradient expansion in which the brane separation is supposed to be sufficiently small so that two boundary metrics are almost identical. The obtained effective theory is shown to be ghost free as expected, however, the interaction between two gravitons takesmore » the Fierz-Pauli form at the leading order of the gradient expansion, even though we do not use the approximation of linear perturbation. We also find that the radion remains as a scalar field in the four-dimensional effective theory, but its coupling to the metrics is non-trivial.« less

Stretching of a polymer chain anchored to a surface: the massive field theory approach

NASA Astrophysics Data System (ADS)

Usatenko, Zoryana

2014-09-01

Taking into account the well-known correspondence between the field theoretical φ4 O(n)-vector model in the limit n → 0 and the behaviour of long-flexible polymer chains, the investigation of stretching of an ideal and a real polymer chain with excluded volume interactions in a good solvent anchored to repulsive and inert surfaces is performed. The calculations of the average stretching force which arises when the free end of a polymer chain moves away from a repulsive or inert surface are performed up to one-loop order of the massive field theory approach in fixed space dimensions d = 3. The analysis of the obtained results indicates that the average stretching force for a real polymer chain anchored to a repulsive surface demonstrates different behaviour for the cases \\tilde{z}\\ll1 and \\tilde{z}\\gg1 , where \\tilde{z}=z^\\prime/Rz . Besides, the results obtained in the framework of the massive field theory approach are in good agreement with previous theoretical results for an ideal polymer chain and results of a density functional theory approach for the region of small applied forces when deformation of a polymer chain in the direction of the applied force is not bigger than the linear extension of a polymer chain in this direction. The better agreement between these two methods is observed in the case where the number of monomers increases and the polymer chain becomes longer.

Analysis of 20 magnetic clouds at 1 AU during a solar minimum

NASA Astrophysics Data System (ADS)

Gulisano, A. M.; Dasso, S.; Mandrini, C. H.; Démoulin, P.

We study 20 magnetic clouds, observed in situ by the spacecraft Wind, at the Lagrangian point L1, from 22 August, 1995, to 7 November, 1997. In previous works, assuming a cylindrical symmetry for the local magnetic configuration and a satellite trajectory crossing the axis of the cloud, we obtained their orientations using a minimum variance analysis. In this work we compute the orientations and magnetic configurations using a non-linear simultaneous fit of the geometric and physical parameters for a linear force-free model, including the possibility of a not null impact parameter. We quantify global magnitudes such as the relative magnetic helicity per unit length and compare the values found with both methods (minimum variance and the simultaneous fit). FULL TEXT IN SPANISH

The AFFDL-Nielsen Flow-Field Study

DTIC Science & Technology

1976-04-01

76-18 1.0 INTRODUCTION This investigation was conducted in the von K ~ n Gas Dynamics Facility (VKF) Supersonic Wind Tunnel (A) for Nielsen...flow field-surveys, using a cone probe rake to determine the local velocity field; (2) pressure distributions on a store model; and (3) force and...moment data on a store model. In addition, free-stream (interference-free) data were obtained with the probe rake and on the force and pressure store

The essence of the Blandford-Znajek process

NASA Astrophysics Data System (ADS)

Kinoshita, Shunichiro; Igata, Takahisa

2018-03-01

From a spacetime perspective, the dynamics of magnetic field lines of force-free electromagnetic fields can be rewritten into a quite similar form for the dynamics of strings, i.e., dynamics of "field sheets". Using this formalism, we explicitly show that the field sheets of stationary and axisymmetric force-free electromagnetic fields have identical intrinsic properties to the world sheets of rigidly rotating Nambu-Goto strings. Thus, we conclude that the Blandford-Znajek process is kinematically identical to an energy-extraction mechanism by the Nambu-Goto string with an effective magnetic tension.

An Immersed Boundary method with divergence-free velocity interpolation and force spreading

NASA Astrophysics Data System (ADS)

Bao, Yuanxun; Donev, Aleksandar; Griffith, Boyce E.; McQueen, David M.; Peskin, Charles S.

2017-10-01

The Immersed Boundary (IB) method is a mathematical framework for constructing robust numerical methods to study fluid-structure interaction in problems involving an elastic structure immersed in a viscous fluid. The IB formulation uses an Eulerian representation of the fluid and a Lagrangian representation of the structure. The Lagrangian and Eulerian frames are coupled by integral transforms with delta function kernels. The discretized IB equations use approximations to these transforms with regularized delta function kernels to interpolate the fluid velocity to the structure, and to spread structural forces to the fluid. It is well-known that the conventional IB method can suffer from poor volume conservation since the interpolated Lagrangian velocity field is not generally divergence-free, and so this can cause spurious volume changes. In practice, the lack of volume conservation is especially pronounced for cases where there are large pressure differences across thin structural boundaries. The aim of this paper is to greatly reduce the volume error of the IB method by introducing velocity-interpolation and force-spreading schemes with the properties that the interpolated velocity field in which the structure moves is at least C1 and satisfies a continuous divergence-free condition, and that the force-spreading operator is the adjoint of the velocity-interpolation operator. We confirm through numerical experiments in two and three spatial dimensions that this new IB method is able to achieve substantial improvement in volume conservation compared to other existing IB methods, at the expense of a modest increase in the computational cost. Further, the new method provides smoother Lagrangian forces (tractions) than traditional IB methods. The method presented here is restricted to periodic computational domains. Its generalization to non-periodic domains is important future work.

Current systems of coronal loops in 3D MHD simulations

NASA Astrophysics Data System (ADS)

Warnecke, J.; Chen, F.; Bingert, S.; Peter, H.

2017-11-01

Aims: We study the magnetic field and current structure associated with a coronal loop. Through this we investigate to what extent the assumptions of a force-free magnetic field break down and where they might be justified. Methods: We analyze a three-dimensional (3D) magnetohydrodynamic (MHD) model of the solar corona in an emerging active region with the focus on the structure of the forming coronal loops. The lower boundary of this simulation is taken from a model of an emerging active region. As a consequence of the emerging magnetic flux and the horizontal motions at the surface a coronal loop forms self-consistently. We investigate the current density along magnetic field lines inside (and outside) this loop and study the magnetic and plasma properties in and around this loop. The loop is defined as the bundle of field lines that coincides with enhanced emission in extreme UV. Results: We find that the total current along the emerging loop changes its sign from being antiparallel to parallel to the magnetic field. This is caused by the inclination of the loop together with the footpoint motion. Around the loop, the currents form a complex non-force-free helical structure. This is directly related to a bipolar current structure at the loop footpoints at the base of the corona and a local reduction of the background magnetic field (I.e., outside the loop) caused by the plasma flow into and along the loop. Furthermore, the locally reduced magnetic pressure in the loop allows the loop to sustain a higher density, which is crucial for the emission in extreme UV. The action of the flow on the magnetic field hosting the loop turns out to also be responsible for the observed squashing of the loop. Conclusions: The complex magnetic field and current system surrounding it can only be modeled in 3D MHD models where the magnetic field has to balance the plasma pressure. A one-dimensional coronal loop model or a force-free extrapolation cannot capture the current system and the complex interaction of the plasma and the magnetic field in the coronal loop, despite the fact that the loop is under low-β conditions.

Contact stiffness considerations when simulating tyre/road noise

NASA Astrophysics Data System (ADS)

Winroth, Julia; Kropp, Wolfgang; Hoever, Carsten; Höstmad, Patrik

2017-11-01

Tyre/road simulation tools that can capture tyre vibrations, rolling resistance and noise generation are useful for understanding the complex processes that are involved and thereby promoting further development and optimisation. The most detailed tyre/road contact models use a spatial discretisation of the contact and assume an interfacial stiffness to account for the small-scale roughness within the elements. This interfacial stiffness has been found to have a significant impact on the simulated noise emissions but no thorough investigations of this sensitivity have been conducted. Three mechanisms are thought to be involved: The horn effect, the modal composition of the vibrational field of the tyre and the contact forces exciting the tyre vibrations. This study used a numerical tyre/road noise simulation tool based on physical relations to investigate these aspects. The model includes a detailed time-domain contact model with linear or non-linear contact springs that accounts for the effect of local tread deformation on smaller length scales. Results confirm that an increase in contact spring stiffness causes a significant increase of the simulated tyre/road noise. This is primarily caused by a corresponding increase in the contact forces, resulting in larger vibrational amplitudes. The horn effect and the modal composition are relatively unaffected and have minor effects on the radiated noise. A more detailed non-linear contact spring formulation with lower stiffness at small indentations results in a reduced high-frequency content in the contact forces and the simulated noise.

Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3H3(+)

NASA Technical Reports Server (NTRS)

Huang, Xinchuan; Taylor, Peter R.; Lee, Timothy J.

2011-01-01

High levels of theory have been used to compute quartic force fields (QFFs) for the cyclic and linear forms of the C H + molecular cation, referred to as c-C H + and I-C H +. Specifically the 33 3333 singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), has been used in conjunction with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core correlation have been included. The QFFs have been used to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants using both vibrational 2nd-order perturbation theory and variational methods to solve the nuclear Schroedinger equation. Agreement between our best computed fundamental vibrational frequencies and recent infrared photodissociation experiments is reasonable for most bands, but there are a few exceptions. Possible sources for the discrepancies are discussed. We determine the energy difference between the cyclic and linear forms of C H +, 33 obtaining 27.9 kcal/mol at 0 K, which should be the most reliable available. It is expected that the fundamental vibrational frequencies and spectroscopic constants presented here for c-C H + 33 and I-C H + are the most reliable available for the free gas-phase species and it is hoped that 33 these will be useful in the assignment of future high-resolution laboratory experiments or astronomical observations.

Non-Gaussian lineshapes and dynamics of time-resolved linear and nonlinear (correlation) spectra.

PubMed

Dinpajooh, Mohammadhasan; Matyushov, Dmitry V

2014-07-17

Signatures of nonlinear and non-Gaussian dynamics in time-resolved linear and nonlinear (correlation) 2D spectra are analyzed in a model considering a linear plus quadratic dependence of the spectroscopic transition frequency on a Gaussian nuclear coordinate of the thermal bath (quadratic coupling). This new model is contrasted to the commonly assumed linear dependence of the transition frequency on the medium nuclear coordinates (linear coupling). The linear coupling model predicts equality between the Stokes shift and equilibrium correlation functions of the transition frequency and time-independent spectral width. Both predictions are often violated, and we are asking here the question of whether a nonlinear solvent response and/or non-Gaussian dynamics are required to explain these observations. We find that correlation functions of spectroscopic observables calculated in the quadratic coupling model depend on the chromophore's electronic state and the spectral width gains time dependence, all in violation of the predictions of the linear coupling models. Lineshape functions of 2D spectra are derived assuming Ornstein-Uhlenbeck dynamics of the bath nuclear modes. The model predicts asymmetry of 2D correlation plots and bending of the center line. The latter is often used to extract two-point correlation functions from 2D spectra. The dynamics of the transition frequency are non-Gaussian. However, the effect of non-Gaussian dynamics is limited to the third-order (skewness) time correlation function, without affecting the time correlation functions of higher order. The theory is tested against molecular dynamics simulations of a model polar-polarizable chromophore dissolved in a force field water.

An exploration in acoustic radiation force experienced by cylindrical shells via resonance scattering theory.

PubMed

Rajabi, Majid; Behzad, Mehdi

2014-04-01

In nonlinear acoustic regime, a body insonified by a sound field is known to experience a steady force that is called the acoustic radiation force (RF). This force is a second-order quantity of the velocity potential function of the ambient medium. Exploiting the sufficiency of linear solution representation of potential function in RF formulation, and following the classical resonance scattering theorem (RST) which suggests the scattered field as a superposition of the resonant field and a background (non-resonant) component, we will show that the radiation force is a composition of three components: background part, resonant part and their interaction. Due to the nonlinearity effects, each part contains the contribution of pure partial waves in addition to their mutual interaction. The numerical results propose the residue component (i.e., subtraction of the background component from the RF) as a good indicator of the contribution of circumferential surface waves in RF. Defining the modal series of radiation force function and its components, it will be shown that within each partial wave, the resonance contribution can be synthesized as the Breit-Wigner form for adequately none-close resonant frequencies. The proposed formulation may be helpful essentially due to its inherent value as a canonical subject in physical acoustics. Furthermore, it may make a tunnel through the circumferential resonance reducing effects on radiation forces. Copyright © 2013 Elsevier B.V. All rights reserved.

Observational Study of Particle Acceleration in the 2006 December 13 Flare

NASA Astrophysics Data System (ADS)

Minoshima, T.; Morimoto, T.; Kawate, T.; Imada, S.; Koshiishi, H.; Masuda, S.; Kubo, M.; Inoue, S.; Isobe, H.; Krucker, S.; Yokoyama, T.

2008-12-01

We study the particle acceleration in a flare on 2006 December 13, by using the Hinode, RHESSI, Nobeyama Radio Polarimeters (NoRP) and Nobeyama Radioheliograph (NoRH) observations. For technical reasons, both RHESSI and NoRH have a problem in imaging in this flare. Since we have succeeded in solving the problem, it is now possible to discuss the particle acceleration mechanism from an image analysis. This flare shows very long-lasting (1 hour) non-thermal emissions, consisting of many spikes. We focus on the second major spike at 02:29 UT, because the RHESSI image is available only in this period. The RHESSI 35-100 keV HXR image shows double sources located at the footpoints of the western soft X-ray (SXR) loop seen by the Hinode/XRT. The non-linear force-free (NLFF) modeling based on a magnetogram data by Inoue et al. shows the NLFF to potential magnetic transition of the loop, which would induce the electric field and then accelerate particles. Overlaying the HXR image on the photospheric three-dimensional magnetic field map taken by the Hinode Spectro-Polarimeter, we find that the HXR sources are located at the region where the horizontal magnetic fields invert. The NoRH 34 GHz microwave images show the loop structure connecting the HXR sources. The microwave peaks do not located at the top of the loop but between the loop top and the footpoints. The NoRP microwave spectrum shows the soft-hard-soft pattern in the period, same as the HXR spectrum (Ning 2008). From these observational results we suggest that the electrons were accelerated parallel to the magnetic field line near the magnetic separatrix.

Intradomain phase transitions in flexible block copolymers with self-aligning segments.

PubMed

Burke, Christopher J; Grason, Gregory M

2018-05-07

We study a model of flexible block copolymers (BCPs) in which there is an enlthalpic preference for orientational order, or local alignment, among like-block segments. We describe a generalization of the self-consistent field theory of flexible BCPs to include inter-segment orientational interactions via a Landau-de Gennes free energy associated with a polar or nematic order parameter for segments of one component of a diblock copolymer. We study the equilibrium states of this model numerically, using a pseudo-spectral approach to solve for chain conformation statistics in the presence of a self-consistent torque generated by inter-segment alignment forces. Applying this theory to the structure of lamellar domains composed of symmetric diblocks possessing a single block of "self-aligning" polar segments, we show the emergence of spatially complex segment order parameters (segment director fields) within a given lamellar domain. Because BCP phase separation gives rise to spatially inhomogeneous orientation order of segments even in the absence of explicit intra-segment aligning forces, the director fields of BCPs, as well as thermodynamics of lamellar domain formation, exhibit a highly non-linear dependence on both the inter-block segregation (χN) and the enthalpy of alignment (ε). Specifically, we predict the stability of new phases of lamellar order in which distinct regions of alignment coexist within the single mesodomain and spontaneously break the symmetries of the lamella (or smectic) pattern of composition in the melt via in-plane tilt of the director in the centers of the like-composition domains. We further show that, in analogy to Freedericksz transition confined nematics, the elastic costs to reorient segments within the domain, as described by the Frank elasticity of the director, increase the threshold value ε needed to induce this intra-domain phase transition.

Intradomain phase transitions in flexible block copolymers with self-aligning segments

NASA Astrophysics Data System (ADS)

Burke, Christopher J.; Grason, Gregory M.

2018-05-01

We study a model of flexible block copolymers (BCPs) in which there is an enlthalpic preference for orientational order, or local alignment, among like-block segments. We describe a generalization of the self-consistent field theory of flexible BCPs to include inter-segment orientational interactions via a Landau-de Gennes free energy associated with a polar or nematic order parameter for segments of one component of a diblock copolymer. We study the equilibrium states of this model numerically, using a pseudo-spectral approach to solve for chain conformation statistics in the presence of a self-consistent torque generated by inter-segment alignment forces. Applying this theory to the structure of lamellar domains composed of symmetric diblocks possessing a single block of "self-aligning" polar segments, we show the emergence of spatially complex segment order parameters (segment director fields) within a given lamellar domain. Because BCP phase separation gives rise to spatially inhomogeneous orientation order of segments even in the absence of explicit intra-segment aligning forces, the director fields of BCPs, as well as thermodynamics of lamellar domain formation, exhibit a highly non-linear dependence on both the inter-block segregation (χN) and the enthalpy of alignment (ɛ). Specifically, we predict the stability of new phases of lamellar order in which distinct regions of alignment coexist within the single mesodomain and spontaneously break the symmetries of the lamella (or smectic) pattern of composition in the melt via in-plane tilt of the director in the centers of the like-composition domains. We further show that, in analogy to Freedericksz transition confined nematics, the elastic costs to reorient segments within the domain, as described by the Frank elasticity of the director, increase the threshold value ɛ needed to induce this intra-domain phase transition.

Deformation of red blood cells using acoustic radiation forces

PubMed Central

Mishra, Puja; Hill, Martyn; Glynne-Jones, Peter

2014-01-01

Acoustic radiation forces have been used to manipulate cells and bacteria in a number of recent microfluidic applications. The net force on a cell has been subject to careful investigation over a number of decades. We demonstrate that the radiation forces also act to deform cells. An ultrasonic standing wave field is created in a 0.1 mm glass capillary at a frequency of 7.9 MHz. Using osmotically swollen red-blood cells, we show observable deformations up to an aspect ratio of 1.35, comparable to deformations created by optical tweezing. In contrast to optical technologies, ultrasonic devices are potentially capable of deforming thousands of cells simultaneously. We create a finite element model that includes both the acoustic environment of the cell, and a model of the cell membrane subject to forces resulting from the non-linear aspects of the acoustic field. The model is found to give reasonable agreement with the experimental results, and shows that the deformation is the result of variation in an acoustic force that is directed outwards at all points on the cell membrane. We foresee applications in diagnostic devices, and in the possibility of mechanically stimulating cells to promote differentiation and physiological effects. PMID:25379070

A stochastically forced time delay solar dynamo model: Self-consistent recovery from a maunder-like grand minimum necessitates a mean-field alpha effect

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

Hazra, Soumitra; Nandy, Dibyendu; Passos, Dário, E-mail: s.hazra@iiserkol.ac.in, E-mail: dariopassos@ist.utl.pt, E-mail: dnandi@iiserkol.ac.in

Fluctuations in the Sun's magnetic activity, including episodes of grand minima such as the Maunder minimum have important consequences for space and planetary environments. However, the underlying dynamics of such extreme fluctuations remain ill-understood. Here, we use a novel mathematical model based on stochastically forced, non-linear delay differential equations to study solar cycle fluctuations in which time delays capture the physics of magnetic flux transport between spatially segregated dynamo source regions in the solar interior. Using this model, we explicitly demonstrate that the Babcock-Leighton poloidal field source based on dispersal of tilted bipolar sunspot flux, alone, cannot recover the sunspotmore » cycle from a grand minimum. We find that an additional poloidal field source effective on weak fields—e.g., the mean-field α effect driven by helical turbulence—is necessary for self-consistent recovery of the sunspot cycle from grand minima episodes.« less

On some properties of force-free magnetic fields in infinite regions of space

NASA Technical Reports Server (NTRS)

Aly, J. J.

1984-01-01

Techniques for solving boundary value problems (BVP) for a force free magnetic field (FFF) in infinite space are presented. A priori inequalities are defined which must be satisfied by the force-free equations. It is shown that upper bounds may be calculated for the magnetic energy of the region provided the value of the magnetic normal component at the boundary of the region can be shown to decay sufficiently fast at infinity. The results are employed to prove a nonexistence theorem for the BVP for the FFF in the spatial region. The implications of the theory for modeling the origins of solar flares are discussed.

COSMIC VORTICITY AND THE ORIGIN HALO SPINS

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

Libeskind, Noam I.; Steinmetz, Matthias; Gottloeber, Stefan

2013-04-01

In the standard model of cosmology, structure emerges out of a non-rotational flow and the angular momentum of collapsing halos is induced by tidal torques. The growth of angular momentum in the linear and quasi-linear phases is associated with a shear, curl-free, flow and it is well described within the linear framework of tidal torque theory (TTT). However, TTT ceases to be applicable as halos approach turnaround when their ambient flow field becomes rotational. Subsequently, halos become embedded in a vortical flow field and the growth of their angular momentum is affected by the vorticity of their ambient velocity field.more » Using a cosmological simulation, we have examined the importance of the curl of the velocity field in determining halo spin, finding a significant alignment between the two: the vorticity tends to be perpendicular to the axis of the fastest collapse of the velocity shear tensor (e{sub 1}). This is independent of halo masses and cosmic web environment. Our results agree with previous findings on the tendency of halo spin to be perpendicular to e{sub 1}, and of the spin of (simulated) halos and (observed) galaxies to be aligned with the large-scale structure. It follows that angular momentum growth proceeds in two distinct phases. First, the angular momentum emerges out of a shear, curl-free, potential flow, as described by TTT. In the second phase, in which halos approach virialization, the angular momentum emerges out of a vortical flow and halo spin becomes partially aligned with the vorticity of the ambient flow field.« less

Breaking phase focused wave group loads on offshore wind turbine monopiles

NASA Astrophysics Data System (ADS)

Ghadirian, A.; Bredmose, H.; Dixen, M.

2016-09-01

The current method for calculating extreme wave loads on offshore wind turbine structures is based on engineering models for non-breaking regular waves. The present article has the aim of validating previously developed models at DTU, namely the OceanWave3D potential flow wave model and a coupled OceanWave3D-OpenFOAM solver, against measurements of focused wave group impacts on a monopile. The focused 2D and 3D wave groups are reproduced and the free surface elevation and the in-line forces are compared to the experimental results. In addition, the pressure distribution on the monopile is examined at the time of maximum force and discussed in terms of shape and magnitude. Relative pressure time series are also compared between the simulations and experiments and detailed pressure fields for a 2D and 3D impact are discussed in terms of impact type. In general a good match for free surface elevation, in-line force and wave-induced pressures is found.

Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics

NASA Astrophysics Data System (ADS)

Bauer, Sebastian; Tavan, Paul; Mathias, Gerald

2014-03-01

In Paper I of this work [S. Bauer, G. Mathias, and P. Tavan, J. Chem. Phys. 140, 104102 (2014)] we have presented a reaction field (RF) method, which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of polarizable molecular mechanics (MM) force fields. Building upon these results, here we suggest a method for linearly scaling Hamiltonian RF/MM molecular dynamics (MD) simulations, which we call "Hamiltonian dielectric solvent" (HADES). First, we derive analytical expressions for the RF forces acting on the solute atoms. These forces properly account for all those conditions, which have to be self-consistently fulfilled by RF quantities introduced in Paper I. Next we provide details on the implementation, i.e., we show how our RF approach is combined with a fast multipole method and how the self-consistency iterations are accelerated by the use of the so-called direct inversion in the iterative subspace. Finally we demonstrate that the method and its implementation enable Hamiltonian, i.e., energy and momentum conserving HADES-MD, and compare in a sample application on Ac-Ala-NHMe the HADES-MD free energy landscape at 300 K with that obtained in Paper I by scanning of configurations and with one obtained from an explicit solvent simulation.

Cosmological N -body simulations with generic hot dark matter

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

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

2017-10-01

We have calculated the non-linear effects of generic fermionic and bosonic hot dark matter components in cosmological N -body simulations. For sub-eV masses, the non-linear power spectrum suppression caused by thermal free-streaming resembles the one seen for massive neutrinos, whereas for masses larger than 1 eV, the non-linear relative suppression of power is smaller than in linear theory. We furthermore find that in the non-linear regime, one can map fermionic to bosonic models by performing a simple transformation.

Cosmological N-body simulations with generic hot dark matter

NASA Astrophysics Data System (ADS)

Brandbyge, Jacob; Hannestad, Steen

2017-10-01

We have calculated the non-linear effects of generic fermionic and bosonic hot dark matter components in cosmological N-body simulations. For sub-eV masses, the non-linear power spectrum suppression caused by thermal free-streaming resembles the one seen for massive neutrinos, whereas for masses larger than 1 eV, the non-linear relative suppression of power is smaller than in linear theory. We furthermore find that in the non-linear regime, one can map fermionic to bosonic models by performing a simple transformation.

Measurement of nonlinear normal modes using multi-harmonic stepped force appropriation and free decay

NASA Astrophysics Data System (ADS)

Ehrhardt, David A.; Allen, Matthew S.

2016-08-01

Nonlinear Normal Modes (NNMs) offer tremendous insight into the dynamic behavior of a nonlinear system, extending many concepts that are familiar in linear modal analysis. Hence there is interest in developing methods to experimentally and numerically determine a system's NNMs for model updating or simply to characterize its dynamic response. Previous experimental work has shown that a mono-harmonic excitation can be used to isolate a system's dynamic response in the neighborhood of a NNM along the main backbones of a system. This work shows that a multi-harmonic excitation is needed to isolate a NNM when well separated linear modes of a structure couple to produce an internal resonance. It is shown that one can tune the multiple harmonics of the input excitation using a plot of the input force versus the response velocity until the area enclosed by the force-velocity curve is minimized. Once an appropriated NNM is measured, one can increase the force level and retune the frequency to obtain a NNM at a higher amplitude or remove the excitation and measure the structure's decay down a NNM backbone. This work explores both methods using simulations and measurements of a nominally-flat clamped-clamped beam excited at a single point with a magnetic force. Numerical simulations are used to validate the method in a well defined environment and to provide comparison with the experimentally measured NNMs. The experimental results seem to produce a good estimate of two NNMs along their backbone and part of an internal resonance branch. Full-field measurements are then used to further explore the couplings between the underlying linear modes along the identified NNMs.

Algebraic motion of vertically displacing plasmas

NASA Astrophysics Data System (ADS)

Bhattacharjee, Amitava; Pfefferle, David; Hirvijoki, Eero

2017-10-01

The vertical displacement of tokamak plasmas is modelled during the non-linear phase by a free-moving current-carrying rod coupled to a set of fixed conducting wires and a cylindrical conducting shell. The models capture the leading term in a Taylor expansion of the Green's function for the interaction between the plasma column and the vacuum vessel. The plasma is assumed not to vary during the VDE such that it behaves as a rigid body. In the limit of perfectly conducting structures, the plasma is prevented from coming in contact with the wall due to steep effective potential barriers by the eddy currents, and will hence oscillate at Alfvénic frequencies about a given force-free position. In addition to damping oscillations, resistivity allows for the column to drift towards the vessel on slow flux penetration timescales. The initial exponential motion of the plasma, i.e. the resistive vertical instability, is succeeded by a non-linear sinking behaviour, that is shown analytically to be algebraic and decelerative. The acceleration of the plasma column often observed in experiments is thus conjectured to originate from an early sharing of toroidal current between the core, the halo plasma and the wall or from the thermal quench dynamics precipitating loss of plasma current

Surface stress mediated image force and torque on an edge dislocation

NASA Astrophysics Data System (ADS)

Raghavendra, R. M.; Divya, Iyer, Ganesh; Kumar, Arun; Subramaniam, Anandh

2018-07-01

The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the 'climb image force' symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive 'climb geometry', arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth's idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.

Direct single-shot phase retrieval from the diffraction pattern of separated objects

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

Leshem, Ben; Xu, Rui; Dallal, Yehonatan

The non-crystallographic phase problem arises in numerous scientific and technological fields. An important application is coherent diffractive imaging. Recent advances in X-ray free-electron lasers allow capturing of the diffraction pattern from a single nanoparticle before it disintegrates, in so-called ‘diffraction before destruction’ experiments. Presently, the phase is reconstructed by iterative algorithms, imposing a non-convex computational challenge, or by Fourier holography, requiring a well-characterized reference field. Here we present a convex scheme for single-shot phase retrieval for two (or more) sufficiently separated objects, demonstrated in two dimensions. In our approach, the objects serve as unknown references to one another, reducing themore » phase problem to a solvable set of linear equations. We establish our method numerically and experimentally in the optical domain and demonstrate a proof-of-principle single-shot coherent diffractive imaging using X-ray free-electron lasers pulses. Lastly, our scheme alleviates several limitations of current methods, offering a new pathway towards direct reconstruction of complex objects.« less

Direct single-shot phase retrieval from the diffraction pattern of separated objects

DOE PAGES

Leshem, Ben; Xu, Rui; Dallal, Yehonatan; ...

2016-02-22

The non-crystallographic phase problem arises in numerous scientific and technological fields. An important application is coherent diffractive imaging. Recent advances in X-ray free-electron lasers allow capturing of the diffraction pattern from a single nanoparticle before it disintegrates, in so-called ‘diffraction before destruction’ experiments. Presently, the phase is reconstructed by iterative algorithms, imposing a non-convex computational challenge, or by Fourier holography, requiring a well-characterized reference field. Here we present a convex scheme for single-shot phase retrieval for two (or more) sufficiently separated objects, demonstrated in two dimensions. In our approach, the objects serve as unknown references to one another, reducing themore » phase problem to a solvable set of linear equations. We establish our method numerically and experimentally in the optical domain and demonstrate a proof-of-principle single-shot coherent diffractive imaging using X-ray free-electron lasers pulses. Lastly, our scheme alleviates several limitations of current methods, offering a new pathway towards direct reconstruction of complex objects.« less

A triangular prism solid and shell interactive mapping element for electromagnetic sheet metal forming process

NASA Astrophysics Data System (ADS)

Cui, Xiangyang; Li, She; Feng, Hui; Li, Guangyao

2017-05-01

In this paper, a novel triangular prism solid and shell interactive mapping element is proposed to solve the coupled magnetic-mechanical formulation in electromagnetic sheet metal forming process. A linear six-node "Triprism" element is firstly proposed for transient eddy current analysis in electromagnetic field. In present "Triprism" element, shape functions are given explicitly, and a cell-wise gradient smoothing operation is used to obtain the gradient matrices without evaluating derivatives of shape functions. In mechanical field analysis, a shear locking free triangular shell element is employed in internal force computation, and a data mapping method is developed to transfer the Lorentz force on solid into the external forces suffered by shell structure for dynamic elasto-plasticity deformation analysis. Based on the deformed triangular shell structure, a "Triprism" element generation rule is established for updated electromagnetic analysis, which means inter-transformation of meshes between the coupled fields can be performed automatically. In addition, the dynamic moving mesh is adopted for air mesh updating based on the deformation of sheet metal. A benchmark problem is carried out for confirming the accuracy of the proposed "Triprism" element in predicting flux density in electromagnetic field. Solutions of several EMF problems obtained by present work are compared with experiment results and those of traditional method, which are showing excellent performances of present interactive mapping element.

Base drive circuit

DOEpatents

Lange, Arnold C.

1995-01-01

An improved base drive circuit (10) having a level shifter (24) for providing bistable input signals to a pair of non-linear delays (30, 32). The non-linear delays (30, 32) provide gate control to a corresponding pair of field effect transistors (100, 106) through a corresponding pair of buffer components (88, 94). The non-linear delays (30, 32) provide delayed turn-on for each of the field effect transistors (100, 106) while an associated pair of transistors (72, 80) shunt the non-linear delays (30, 32) during turn-off of the associated field effect transistor (100, 106).

Free flux flow in two single crystals of V3Si with differing pinning strengths

NASA Astrophysics Data System (ADS)

Gafarov, O.; Gapud, A. A.; Moraes, S.; Thompson, J. R.; Christen, D. K.; Reyes, A. P.

2011-10-01

Results of measurements on two very clean, single-crystal samples of the A15 superconductor V3Si are presented. Magnetization and transport data have confirmed the ``clean'' quality of both samples, as manifested by: (i) high residual electrical resistivity ratio, (ii) very low critical current densities Jc, and (iii) a ``peak'' effect in the field dependence of critical current. The (H,T) phase line for this peak effect is shifted down for the slightly ``dirtier'' sample, which consequently also has higher critical current density Jc(H). Large Lorentz forces are applied on mixed-state vortices via large currents, in order to induce the highly ordered free flux flow (FFF) phase, using experimental methods developed previously. The traditional model by Bardeen and Stephen (BS) predicts a simple field dependence of flux flow resistivity ρf(H) ˜ H/Hc2, presuming a field-independent flux core size. A model by Kogan and Zelezhina (KZ) takes into account the effects of magnetic field on core size, and predict a clear deviation from the linear BS dependence. In this study, ρf(H) is confirmed to be consistent with predictions of KZ.

Renormalizable Quantum Field Theories in the Large -n Limit

NASA Astrophysics Data System (ADS)

Guruswamy, Sathya

1995-01-01

In this thesis, we study two examples of renormalizable quantum field theories in the large-N limit. Chapter one is a general introduction describing physical motivations for studying such theories. In chapter two, we describe the large-N method in field theory and discuss the pioneering work of 't Hooft in large-N two-dimensional Quantum Chromodynamics (QCD). In chapter three we study a spherically symmetric approximation to four-dimensional QCD ('spherical QCD'). We recast spherical QCD into a bilocal (constrained) theory of hadrons which in the large-N limit is equivalent to large-N spherical QCD for all energy scales. The linear approximation to this theory gives an eigenvalue equation which is the analogue of the well-known 't Hooft's integral equation in two dimensions. This eigenvalue equation is a scale invariant one and therefore leads to divergences in the theory. We give a non-perturbative renormalization prescription to cure this and obtain a beta function which shows that large-N spherical QCD is asymptotically free. In chapter four, we review the essentials of conformal field theories in two and higher dimensions, particularly in the context of critical phenomena. In chapter five, we study the O(N) non-linear sigma model on three-dimensional curved spaces in the large-N limit and show that there is a non-trivial ultraviolet stable critical point at which it becomes conformally invariant. We study this model at this critical point on examples of spaces of constant curvature and compute the mass gap in the theory, the free energy density (which turns out to be a universal function of the information contained in the geometry of the manifold) and the two-point correlation functions. The results we get give an indication that this model is an example of a three-dimensional analogue of a rational conformal field theory. A conclusion with a brief summary and remarks follows at the end.

Linear response approach to active Brownian particles in time-varying activity fields

NASA Astrophysics Data System (ADS)

Merlitz, Holger; Vuijk, Hidde D.; Brader, Joseph; Sharma, Abhinav; Sommer, Jens-Uwe

2018-05-01

In a theoretical and simulation study, active Brownian particles (ABPs) in three-dimensional bulk systems are exposed to time-varying sinusoidal activity waves that are running through the system. A linear response (Green-Kubo) formalism is applied to derive fully analytical expressions for the torque-free polarization profiles of non-interacting particles. The activity waves induce fluxes that strongly depend on the particle size and may be employed to de-mix mixtures of ABPs or to drive the particles into selected areas of the system. Three-dimensional Langevin dynamics simulations are carried out to verify the accuracy of the linear response formalism, which is shown to work best when the particles are small (i.e., highly Brownian) or operating at low activity levels.

The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaine

PubMed Central

Neumann, Marcus A.

2017-01-01

Motional averaging has been proven to be significant in predicting the chemical shifts in ab initio solid-state NMR calculations, and the applicability of motional averaging with molecular dynamics has been shown to depend on the accuracy of the molecular mechanical force field. The performance of a fully automatically generated tailor-made force field (TMFF) for the dynamic aspects of NMR crystallography is evaluated and compared with existing benchmarks, including static dispersion-corrected density functional theory calculations and the COMPASS force field. The crystal structure of free base cocaine is used as an example. The results reveal that, even though the TMFF outperforms the COMPASS force field for representing the energies and conformations of predicted structures, it does not give significant improvement in the accuracy of NMR calculations. Further studies should direct more attention to anisotropic chemical shifts and development of the method of solid-state NMR calculations. PMID:28250956

New Method for Solving Inductive Electric Fields in the Ionosphere

NASA Astrophysics Data System (ADS)

Vanhamäki, H.

2005-12-01

We present a new method for calculating inductive electric fields in the ionosphere. It is well established that on large scales the ionospheric electric field is a potential field. This is understandable, since the temporal variations of large scale current systems are generally quite slow, in the timescales of several minutes, so inductive effects should be small. However, studies of Alfven wave reflection have indicated that in some situations inductive phenomena could well play a significant role in the reflection process, and thus modify the nature of ionosphere-magnetosphere coupling. The input to our calculation method are the time series of the potential part of the ionospheric electric field together with the Hall and Pedersen conductances. The output is the time series of the induced rotational part of the ionospheric electric field. The calculation method works in the time-domain and can be used with non-uniform, time-dependent conductances. In addition no particular symmetry requirements are imposed on the input potential electric field. The presented method makes use of special non-local vector basis functions called Cartesian Elementary Current Systems (CECS). This vector basis offers a convenient way of representing curl-free and divergence-free parts of 2-dimensional vector fields and makes it possible to solve the induction problem using simple linear algebra. The new calculation method is validated by comparing it with previously published results for Alfven wave reflection from uniformly conducting ionosphere.

Non-contact transportation system of small objects using Ultrasonic Waveguides

NASA Astrophysics Data System (ADS)

Nakamura, K.; Koyama, D.

2012-12-01

A transportation system for small object or fluid without contact is investigated being based on ultrasonic levitation. Small objects are suspended against gravity at the nodal points in ultrasonic pressure field due to the sound radiation force generated as the gradient of the energy density of the field. In this study, the trapped object is transported in the horizontal plane by introducing the spatial shift of the standing waves by the switching the lateral modes or travelling waves. The goal of the study is to establish a technology which can provide a total system with the flexibility in composing various transportation paths. Methods for linear/rotary stepping motions and continuous linear transportation are explained in this report. All the transportation tracks are composed of a bending vibrator and a reflector. The design for these acoustic cavity/waveguide is discussed.

Design Methodology for Magnetic Field-Based Soft Tri-Axis Tactile Sensors.

PubMed

Wang, Hongbo; de Boer, Greg; Kow, Junwai; Alazmani, Ali; Ghajari, Mazdak; Hewson, Robert; Culmer, Peter

2016-08-24

Tactile sensors are essential if robots are to safely interact with the external world and to dexterously manipulate objects. Current tactile sensors have limitations restricting their use, notably being too fragile or having limited performance. Magnetic field-based soft tactile sensors offer a potential improvement, being durable, low cost, accurate and high bandwidth, but they are relatively undeveloped because of the complexities involved in design and calibration. This paper presents a general design methodology for magnetic field-based three-axis soft tactile sensors, enabling researchers to easily develop specific tactile sensors for a variety of applications. All aspects (design, fabrication, calibration and evaluation) of the development of tri-axis soft tactile sensors are presented and discussed. A moving least square approach is used to decouple and convert the magnetic field signal to force output to eliminate non-linearity and cross-talk effects. A case study of a tactile sensor prototype, MagOne, was developed. This achieved a resolution of 1.42 mN in normal force measurement (0.71 mN in shear force), good output repeatability and has a maximum hysteresis error of 3.4%. These results outperform comparable sensors reported previously, highlighting the efficacy of our methodology for sensor design.

Design Methodology for Magnetic Field-Based Soft Tri-Axis Tactile Sensors

PubMed Central

Wang, Hongbo; de Boer, Greg; Kow, Junwai; Alazmani, Ali; Ghajari, Mazdak; Hewson, Robert; Culmer, Peter

2016-01-01

Tactile sensors are essential if robots are to safely interact with the external world and to dexterously manipulate objects. Current tactile sensors have limitations restricting their use, notably being too fragile or having limited performance. Magnetic field-based soft tactile sensors offer a potential improvement, being durable, low cost, accurate and high bandwidth, but they are relatively undeveloped because of the complexities involved in design and calibration. This paper presents a general design methodology for magnetic field-based three-axis soft tactile sensors, enabling researchers to easily develop specific tactile sensors for a variety of applications. All aspects (design, fabrication, calibration and evaluation) of the development of tri-axis soft tactile sensors are presented and discussed. A moving least square approach is used to decouple and convert the magnetic field signal to force output to eliminate non-linearity and cross-talk effects. A case study of a tactile sensor prototype, MagOne, was developed. This achieved a resolution of 1.42 mN in normal force measurement (0.71 mN in shear force), good output repeatability and has a maximum hysteresis error of 3.4%. These results outperform comparable sensors reported previously, highlighting the efficacy of our methodology for sensor design. PMID:27563908

Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors

NASA Astrophysics Data System (ADS)

Santos-Filho, Osvaldo A.; Mishra, Rama K.; Hopfinger, A. J.

2001-09-01

Free energy force field (FEFF) 3D-QSAR analysis was used to construct ligand-receptor binding models for a set of 18 structurally diverse antifolates including pyrimethamine, cycloguanil, methotrexate, aminopterin and trimethoprim, and 13 pyrrolo[2,3-d]pyrimidines. The molecular target (`receptor') used was a 3D-homology model of a specific mutant type of Plasmodium falciparum (Pf) dihydrofolate reductase (DHFR). The dependent variable of the 3D-QSAR models is the IC50 inhibition constant for the specific mutant type of PfDHFR. The independent variables of the 3D-QSAR models (the descriptors) are scaled energy terms of a modified first-generation AMBER force field combined with a hydration shell aqueous solvation model and a collection of 2D-QSAR descriptors often used in QSAR studies. Multiple temperature molecular dynamics simulation (MDS) and the genetic function approximation (GFA) were employed using partial least square (PLS) and multidimensional linear regressions as the fitting functions to develop FEFF 3D-QSAR models for the binding process. The significant FEFF energy terms in the best 3D-QSAR models include energy contributions of the direct ligand-receptor interaction. Some changes in conformational energy terms of the ligand due to binding to the enzyme are also found to be important descriptors. The FEFF 3D-QSAR models indicate some structural features perhaps relevant to the mechanism of resistance of the PfDHFR to current antimalarials. The FEFF 3D-QSAR models are also compared to receptor-independent (RI) 4D-QSAR models developed in an earlier study and subsequently refined using recently developed generalized alignment rules.

Entropy Analysis in Mixed Convection MHD flow of Nanofluid over a Non-linear Stretching Sheet

NASA Astrophysics Data System (ADS)

Matin, Meisam Habibi; Nobari, Mohammad Reza Heirani; Jahangiri, Pouyan

This article deals with a numerical study of entropy analysis in mixed convection MHD flow of nanofluid over a non-linear stretching sheet taking into account the effects of viscous dissipation and variable magnetic field. The nanofluid is made of such nano particles as SiO2 with pure water as a base fluid. To analyze the problem, at first the boundary layer equations are transformed into non-linear ordinary equations using a similarity transformation. The resultant equations are then solved numerically using the Keller-Box scheme based on the implicit finite-difference method. The effects of different non-dimensional governing parameters such as magnetic parameter, nanoparticles volume fraction, Nusselt, Richardson, Eckert, Hartman, Brinkman, Reynolds and entropy generation numbers are investigated in details. The results indicate that increasing the nano particles to the base fluids causes the reduction in shear forces and a decrease in stretching sheet heat transfer coefficient. Also, decreasing the magnetic parameter and increasing the Eckert number result in improves heat transfer rate. Furthermore, the surface acts as a strong source of irreversibility due to the higher entropy generation number near the surface.

A nonlinear dynamics for the scalar field in Randers spacetime

NASA Astrophysics Data System (ADS)

Silva, J. E. G.; Maluf, R. V.; Almeida, C. A. S.

2017-03-01

We investigate the properties of a real scalar field in the Finslerian Randers spacetime, where the local Lorentz violation is driven by a geometrical background vector. We propose a dynamics for the scalar field by a minimal coupling of the scalar field and the Finsler metric. The coupling is intrinsically defined on the Randers spacetime, and it leads to a non-canonical kinetic term for the scalar field. The nonlinear dynamics can be split into a linear and nonlinear regimes, which depend perturbatively on the even and odd powers of the Lorentz-violating parameter, respectively. We analyze the plane-waves solutions and the modified dispersion relations, and it turns out that the spectrum is free of tachyons up to second-order.

Anomalous resistivity and the evolution of magnetic field topology

NASA Technical Reports Server (NTRS)

Parker, E. N.

1993-01-01

This paper explores the topological restructuring of a force-free magnetic field caused by the hypothetical sudden onset of a localized region of strong anomalous resistivity. It is shown that the topological complexity increases, with the primitive planar force-free field with straight field lines developing field lines that wrap half a turn around each other, evidently providing a surface of tangential discontinuity in the wraparound region. It is suggested that the topological restructuring contributes to the complexity of the geomagnetic substorm, the aurora, and perhaps some of the flare activity on the sun, or other star, and the Galactic halo.

The Magnetorotational Instability in a Collisionless Plasma

NASA Astrophysics Data System (ADS)

Quataert, Eliot; Dorland, William; Hammett, Gregory W.

2002-09-01

We consider the linear axisymmetric stability of a differentially rotating collisionless plasma in the presence of a weak magnetic field; we restrict our analysis to wavelengths much larger than the proton Larmor radius. This is the kinetic version of the magnetorotational instability explored extensively as a mechanism for magnetic field amplification and angular momentum transport in accretion disks. The kinetic calculation is appropriate for hot accretion flows onto compact objects and for the growth of very weak magnetic fields, where the collisional mean free path is larger than the wavelength of the unstable modes. We show that the kinetic instability criterion is the same as in MHD, namely that the angular velocity decrease outward. However, nearly every mode has a linear kinetic growth rate that differs from its MHD counterpart. The kinetic growth rates also depend explicitly on β, i.e., on the ratio of the gas pressure to the pressure of the seed magnetic field. For β~1 the kinetic growth rates are similar to the MHD growth rates, while for β>>1 they differ significantly. For β>>1, the fastest growing mode has a growth rate ~sqrt(3)Ω for a Keplerian disk, larger than its MHD counterpart; there are also many modes whose growth rates are negligible, <~β-1/2Ω<<Ω. We provide a detailed physical interpretation of these results and show that gas pressure forces, rather than just magnetic forces, are central to the behavior of the magnetorotational instability in a collisionless plasma. We also discuss the astrophysical implications of our analysis.

Nonlinear convective analysis of a rotating Oldroyd-B nanofluid layer under thermal non-equilibrium utilizing Al2O3-EG colloidal suspension

NASA Astrophysics Data System (ADS)

Agarwal, Shilpi; Rana, Puneet

2016-04-01

In this paper, we examine a layer of Oldroyd-B nanofluid for linear and nonlinear regimes under local thermal non-equilibrium conditions for the classical Rayleigh-Bénard problem. The free-free boundary condition has been implemented with the flux for nanoparticle concentration being zero at edges. The Oberbeck-Boussinesq approximation holds good and for the rotational effect Coriolis term is included in the momentum equation. A two-temperature model explains the effect of local thermal non-equilibrium among the particle and fluid phases. The criteria for onset of stationary convection has been derived as a function of the non-dimensionalized parameters involved including the Taylor number. The assumed boundary conditions negate the possibility of overstability due to the absence of opposing forces responsible for it. The thermal Nusselt number has been obtained utilizing a weak nonlinear theory in terms of various pertinent parameters in the steady and transient mode, and has been depicted graphically. The main findings signify that the rotation has a stabilizing effect on the system. The stress relaxation parameter λ_1 inhibits whereas the strain retardation parameter λ_2 exhibits heat transfer utilizing Al2O3 nanofluids.

Salt dependence of compression normal forces of quenched polyelectrolyte brushes

NASA Astrophysics Data System (ADS)

Hernandez-Zapata, Ernesto; Tamashiro, Mario N.; Pincus, Philip A.

2001-03-01

We obtained mean-field expressions for the compression normal forces between two identical opposing quenched polyelectrolyte brushes in the presence of monovalent salt. The brush elasticity is modeled using the entropy of ideal Gaussian chains, while the entropy of the microions and the electrostatic contribution to the grand potential is obtained by solving the non-linear Poisson-Boltzmann equation for the system in contact with a salt reservoir. For the polyelectrolyte brush we considered both a uniformly charged slab as well as an inhomogeneous charge profile obtained using a self-consistent field theory. Using the Derjaguin approximation, we related the planar-geometry results to the realistic two-crossed cylinders experimental set up. Theoretical predictions are compared to experimental measurements(Marc Balastre's abstract, APS March 2001 Meeting.) of the salt dependence of the compression normal forces between two quenched polyelectrolyte brushes formed by the adsorption of diblock copolymers poly(tert-butyl styrene)-sodium poly(styrene sulfonate) [PtBs/NaPSS] onto an octadecyltriethoxysilane (OTE) hydrophobically modified mica, as well as onto bare mica.

Reflections on the nature of non-linear responses of the climate to forcing

NASA Astrophysics Data System (ADS)

Ditlevsen, Peter

2017-04-01

On centennial to multi-millennial time scales the paleoclimatic record shows that climate responds in a very non-linear way to the external forcing. Perhaps most puzzling is the change in glacial period duration at the Middle Pleistocene Transition. From a dynamical systems perspective, this could be a change in frequency locking between the orbital forcing and the climatic response or it could be a non-linear resonance phenomenon. In both cases the climate system shows a non-trivial oscillatory behaviour. From the records it seems that this behaviour can be described by an effective dynamics on a low-dimensional slow manifold. These different possible dynamical behaviours will be discussed. References: Arianna Marchionne, Peter Ditlevsen, and Sebastian Wieczorek, "Three types of nonlinear resonances", arXiv:1605.00858 Peter Ashwin and Peter Ditlevsen, "The middle Pleistocene transition as a generic bifurcation on a slow manifold", Climate Dynamics, 45, 2683, 2015. Peter D. Ditlevsen, "The bifurcation structure and noise assisted transitions in the Pleistocene glacial cycles", Paleoceanography, 24, PA3204, 2009

Direct probing of electron and hole trapping into nano-floating-gate in organic field-effect transistor nonvolatile memories

NASA Astrophysics Data System (ADS)

Cui, Ze-Qun; Wang, Shun; Chen, Jian-Mei; Gao, Xu; Dong, Bin; Chi, Li-Feng; Wang, Sui-Dong

2015-03-01

Electron and hole trapping into the nano-floating-gate of a pentacene-based organic field-effect transistor nonvolatile memory is directly probed by Kelvin probe force microscopy. The probing is straightforward and non-destructive. The measured surface potential change can quantitatively profile the charge trapping, and the surface characterization results are in good accord with the corresponding device behavior. Both electrons and holes can be trapped into the nano-floating-gate, with a preference of electron trapping than hole trapping. The trapped charge quantity has an approximately linear relation with the programming/erasing gate bias, indicating that the charge trapping in the device is a field-controlled process.

Soviet Non-Linear Combat: The Challenge of the 90s

DTIC Science & Technology

1990-09-01

with powerful air and artillery fire strikes, will allow a combatanL to rapidly insert ground units, air-assault forces, and other specially-trained Q...dynamic and highly maneuverable, forcing subunits to change rapidly from attack to defense and back again, and to change frequently its combat formation...two. Team members rapidly coalesce into temporary attack or defensive groups and then disperse again. The Soviets see non-linear battle as one in which

Theory of electric creep and electromechanical coupling with domain evolution for non-poled and fully poled ferroelectric ceramics

PubMed Central

Xia, Xiaodong; Wang, Yang; Zhong, Zheng

2016-01-01

Unlike mechanical creep with inelastic deformation, electric creep with domain evolution is a rarely studied subject. In this paper, we present a theory of electric creep and related electromechanical coupling for both non-poled and fully poled ferroelectric ceramics. We consider electric creep to be a time-dependent process, with an initial condition lying on the D (electric displacement) versus E (electric field) hysteresis loop. Both processes are shown to share the same Gibbs free energy and thermodynamic driving force, but relative to creep, the hysteresis loop is just a field-dependent process. With this view, we develop a theory with a single thermodynamic driving force but with two separate kinetic equations, one for the field-dependent loops in terms of a Lorentzian-like function and the other for the time-dependent D in terms of a dissipation potential. We use the 0°–90° and then 90°–180° switches to attain these goals. It is demonstrated that the calculated results are in broad agreement with two sets of experiments, one for a non-poled PIC-151 and the other for a fully poled PZT-5A. The theory also shows that creep polarization tends to reach a saturation state with time and that the saturated polarization has its maximum at the coercive field. PMID:27843406

Newton-Cartan Gravity in Noninertial Reference Frames

NASA Astrophysics Data System (ADS)

Rodriguez, Leo; St. Germaine-Fuller, James; Wickramasekara, Sujeev

2015-03-01

We study Newton-Cartan gravity under transformations into all noninertial, nonrelativistic reference frames. These transformations form an infinite dimensional Lie group, called the Galilean line group, which contains as a subgroup the Galilei group. The fictitious forces of noninertial reference frames are encoded in the Cartan connection transformed under the Galilean line group. These fictitious forces, which are coordinate effects, do not contribute to the Ricci tensor. Only the 00-component of the Ricci tensor is non-zero and equals (4 π times) the matter density in all reference frames. While the Ricci field equation and Gauss' law are fulfilled by the physical matter density in inertial and linearly accelerating reference frames, in rotating reference frames Gauss' law holds for an effective mass density that differs from the physical matter density. This effective density has its origin in the simulated magnetic field of rotating frames, highlighting a striking difference between linearly and rotationally accelerating frames. The equations governing the simulated fields have the same form as Maxwell's equations, a surprising result given that these equations obey special relativity (and U (1) -gauge symmetry), rather than Galilean symmetry. This work was supported in part by the HHMI Undergraduate Science Education Award 52006298 and the Grinnell College Academic Affairs' CSFS and MAP programs.

A nonlinear eigenvalue problem for self-similar spherical force-free magnetic fields

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

Lerche, I.; Low, B. C.

2014-10-15

An axisymmetric force-free magnetic field B(r, θ) in spherical coordinates is defined by a function r sin θB{sub φ}=Q(A) relating its azimuthal component to its poloidal flux-function A. The power law r sin θB{sub φ}=aA|A|{sup 1/n}, n a positive constant, admits separable fields with A=(A{sub n}(θ))/(r{sup n}) , posing a nonlinear boundary-value problem for the constant parameter a as an eigenvalue and A{sub n}(θ) as its eigenfunction [B. C. Low and Y. Q Lou, Astrophys. J. 352, 343 (1990)]. A complete analysis is presented of the eigenvalue spectrum for a given n, providing a unified understanding of the eigenfunctions and the physical relationship betweenmore » the field's degree of multi-polarity and rate of radial decay via the parameter n. These force-free fields, self-similar on spheres of constant r, have basic astrophysical applications. As explicit solutions they have, over the years, served as standard benchmarks for testing 3D numerical codes developed to compute general force-free fields in the solar corona. The study presented includes a set of illustrative multipolar field solutions to address the magnetohydrodynamics (MHD) issues underlying the observation that the solar corona has a statistical preference for negative and positive magnetic helicities in its northern and southern hemispheres, respectively; a hemispherical effect, unchanging as the Sun's global field reverses polarity in successive eleven-year cycles. Generalizing these force-free fields to the separable form B=(H(θ,φ))/(r{sup n+2}) promises field solutions of even richer topological varieties but allowing for φ-dependence greatly complicates the governing equations that have remained intractable. The axisymmetric results obtained are discussed in relation to this generalization and the Parker Magnetostatic Theorem. The axisymmetric solutions are mathematically related to a family of 3D time-dependent ideal MHD solutions for a polytropic fluid of index γ = 4/3 as discussed in the Appendix.« less

Introduction to the Treatment of Non-Linear Effects Using a Gravitational Pendulum

ERIC Educational Resources Information Center

Weltner, Klaus; Esperidiao, Antonio Sergio C.; Miranda, Paulo

2004-01-01

We show that the treatment of pendulum movement, other than the linear approximation,may be an instructive experimentally based introduction to the physics of non-linear effects. Firstly the natural frequency of a gravitational pendulum is measured as function of its amplitude. Secondly forced oscillations of a gravitational pendulum are…

Gravitational field of static p -branes in linearized ghost-free gravity

NASA Astrophysics Data System (ADS)

Boos, Jens; Frolov, Valeri P.; Zelnikov, Andrei

2018-04-01

We study the gravitational field of static p -branes in D -dimensional Minkowski space in the framework of linearized ghost-free (GF) gravity. The concrete models of GF gravity we consider are parametrized by the nonlocal form factors exp (-□/μ2) and exp (□2/μ4) , where μ-1 is the scale of nonlocality. We show that the singular behavior of the gravitational field of p -branes in general relativity is cured by short-range modifications introduced by the nonlocalities, and we derive exact expressions of the regularized gravitational fields, whose geometry can be written as a warped metric. For large distances compared to the scale of nonlocality, μ r →∞ , our solutions approach those found in linearized general relativity.

Free-energy landscape of the villin headpiece in an all-atom force field.

PubMed

Herges, Thomas; Wenzel, Wolfgang

2005-04-01

We investigate the landscape of the internal free-energy of the 36 amino acid villin headpiece with a modified basin hopping method in the all-atom force field PFF01, which was previously used to predictively fold several helical proteins with atomic resolution. We identify near native conformations of the protein as the global optimum of the force field. More than half of the twenty best simulations started from random initial conditions converge to the folding funnel of the native conformation, but several competing low-energy metastable conformations were observed. From 76,000 independently generated conformations we derived a decoy tree which illustrates the topological structure of the entire low-energy part of the free-energy landscape and characterizes the ensemble of metastable conformations. These emerge as similar in secondary content, but differ in tertiary arrangement.

Nonlinear modeling of forced magnetic reconnection in slab geometry with NIMROD

NASA Astrophysics Data System (ADS)

Beidler, M. T.; Callen, J. D.; Hegna, C. C.; Sovinec, C. R.

2017-05-01

The nonlinear, extended-magnetohydrodynamic (MHD) code NIMROD is benchmarked with the theory of time-dependent forced magnetic reconnection induced by small resonant fields in slab geometry in the context of visco-resistive MHD modeling. Linear computations agree with time-asymptotic, linear theory of flow screening of externally applied fields. The inclusion of flow in nonlinear computations can result in mode penetration due to the balance between electromagnetic and viscous forces in the time-asymptotic state, which produces bifurcations from a high-slip state to a low-slip state as the external field is slowly increased. We reproduce mode penetration and unlocking transitions by employing time-dependent externally applied magnetic fields. Mode penetration and unlocking exhibit hysteresis and occur at different magnitudes of applied field. We also establish how nonlinearly determined flow screening of the resonant field is affected by the square of the magnitude of the externally applied field. These results emphasize that the inclusion of nonlinear physics is essential for accurate prediction of the reconnected field in a flowing plasma.

Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.

PubMed

Lee, Kuo Hao; Chen, Jianhan

2017-06-15

Accurate treatment of solvent environment is critical for reliable simulations of protein conformational equilibria. Implicit treatment of solvation, such as using the generalized Born (GB) class of models arguably provides an optimal balance between computational efficiency and physical accuracy. Yet, GB models are frequently plagued by a tendency to generate overly compact structures. The physical origins of this drawback are relatively well understood, and the key to a balanced implicit solvent protein force field is careful optimization of physical parameters to achieve a sufficient level of cancellation of errors. The latter has been hampered by the difficulty of generating converged conformational ensembles of non-trivial model proteins using the popular replica exchange sampling technique. Here, we leverage improved sampling efficiency of a newly developed multi-scale enhanced sampling technique to re-optimize the generalized-Born with molecular volume (GBMV2) implicit solvent model with the CHARMM36 protein force field. Recursive optimization of key GBMV2 parameters (such as input radii) and protein torsion profiles (via the CMAP torsion cross terms) has led to a more balanced GBMV2 protein force field that recapitulates the structures and stabilities of both helical and β-hairpin model peptides. Importantly, this force field appears to be free of the over-compaction bias, and can generate structural ensembles of several intrinsically disordered proteins of various lengths that seem highly consistent with available experimental data. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Force-free electromagnetic pulses in a laboratory plasma

NASA Technical Reports Server (NTRS)

Stenzel, R. L.; Urrutia, J. M.

1990-01-01

A short, intense current pulse is drawn from an electrode immersed in a magnetized afterglow plasma. The induced magnetic field B(r,t) assumes the shape of a helical double vortex which propagates along B(0) through the uniform plasma as a whistler mode. The observations support a prediction of force-free (J x B + neE = 0) electromagnetic fields and solitary waves. Energy and helicity are approximately conserved.

The simple procedure for the fluxgate magnetometers calibration

NASA Astrophysics Data System (ADS)

Marusenkov, Andriy

2014-05-01

The fluxgate magnetometers are widely used in geophysics investigations including the geomagnetic field monitoring at the global network of geomagnetic observatories as well as for electromagnetic sounding of the Earth's crust conductivity. For solving these tasks the magnetometers have to be calibrated with an appropriate level of accuracy. As a particular case, the ways to satisfy the recent requirements to the scaling and orientation errors of 1-second INTERNAGNET magnetometers are considered in the work. The goal of the present study was to choose a simple and reliable calibration method for estimation of scale factors and angular errors of the three-axis magnetometers in the field. There are a large number of the scalar calibration methods, which use a free rotation of the sensor in the calibration field followed by complicated data processing procedures for numerical solution of the high-order equations set. The chosen approach also exploits the Earth's magnetic field as a calibrating signal, but, in contrast to other methods, the sensor has to be oriented in some particular positions in respect to the total field vector, instead of the sensor free rotation. This allows to use very simple and straightforward linear computation formulas and, as a result, to achieve more reliable estimations of the calibrated parameters. The estimation of the scale factors is performed by the sequential aligning of each component of the sensor in two positions: parallel and anti-parallel to the Earth's magnetic field vector. The estimation of non-orthogonality angles between each pair of components is performed after sequential aligning of the components at the angles +/- 45 and +/- 135 degrees of arc in respect to the total field vector. Due to such four positions approach the estimations of the non-orthogonality angles are invariant to the zero offsets and non-linearity of transfer functions of the components. The experimental justifying of the proposed method by means of the Coil Calibration system reveals, that the achieved accuracy (<0.04 % for scale factors and 0.03 degrees of arc for angle errors) is sufficient for many applications, particularly for satisfying the INTERMAGNET requirements to 1-second instruments.

Free Energy Landscape of GAGA and UUCG RNA Tetraloops.

PubMed

Bottaro, Sandro; Banáš, Pavel; Šponer, Jiří; Bussi, Giovanni

2016-10-20

We report the folding thermodynamics of ccUUCGgg and ccGAGAgg RNA tetraloops using atomistic molecular dynamics simulations. We obtain a previously unreported estimation of the folding free energy using parallel tempering in combination with well-tempered metadynamics. A key ingredient is the use of a recently developed metric distance, eRMSD, as a biased collective variable. We find that the native fold of both tetraloops is not the global free energy minimum using the Amberχ OL3 force field. The estimated folding free energies are 30.2 ± 0.5 kJ/mol for UUCG and 7.5 ± 0.6 kJ/mol for GAGA, in striking disagreement with experimental data. We evaluate the viability of all possible one-dimensional backbone force field corrections. We find that disfavoring the gauche + region of α and ζ angles consistently improves the existing force field. The level of accuracy achieved with these corrections, however, cannot be considered sufficient by judging on the basis of available thermodynamic data and solution experiments.

Exact solutions to force-free electrodynamics in black hole backgrounds

NASA Astrophysics Data System (ADS)

Brennan, T. Daniel; Gralla, Samuel E.; Jacobson, Ted

2013-10-01

A shared property of several of the known exact solutions to the equations of force-free electrodynamics is that their charge-current four-vector is null. We examine the general properties of null-current solutions and then focus on the principal congruences of the Kerr black hole spacetime. We obtain a large class of exact solutions, which are in general time-dependent and non-axisymmetric. These solutions include waves that, surprisingly, propagate without scattering on the curvature of the black hole’s background. They may be understood as generalizations to Robinson’s solutions to vacuum electrodynamics associated with a shear-free congruence of null geodesics. When stationary and axisymmetric, our solutions reduce to those of Menon and Dermer, the only previously known solutions in Kerr. In Kerr, all of our solutions have null electromagnetic fields (\\vec{E} \\cdot \\vec{B} = 0 and E2 = B2). However, in Schwarzschild or flat spacetime there is freedom to add a magnetic monopole field, making the solutions magnetically dominated (B2 > E2). This freedom may be used to reproduce the various flat-spacetime and Schwarzschild-spacetime (split) monopole solutions available in the literature (due to Michel and later authors), and to obtain a large class of time-dependent, non-axisymmetric generalizations. These generalizations may be used to model the magnetosphere of a conducting star that rotates with arbitrary prescribed time-dependent rotation axis and speed. We thus significantly enlarge the class of known exact solutions, while organizing and unifying previously discovered solutions in terms of their null structure.

Electrostatic and aerodynamic forced vibrations of a thin flexible electrode: Quasi-periodic vs. chaotic oscillations

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

Madanu, Sushma B.; Barbel, Stanley I.; Ward, Thomas

In this paper, transverse vibrations of an electrostatically actuated thin flexible cantilever perturbed by low-speed air flow are studied using both experiments and numerical modeling. In the experiments, the dynamic characteristics of the cantilever are studied by supplying a DC voltage with an AC component for electrostatic forcing and a constant uniform air flow around the cantilever system for aerodynamic forcing. A range of control parameters leading to stable vibrations are established using a dimensionless operating parameter that is the ratio of the induced and the free stream velocities. Numerical results are validated with experimental data. Assuming the amplitude ofmore » vibrations are small, then a non-linear dynamic Euler-Bernoulli beam equation with viscous damping and gravitational effects is used to model the equation of motion. Aerodynamic forcing is modelled as a temporally sinusoidal and uniform force acting perpendicular to the beam length. The forcing amplitude is found to be proportional to the square of the air flow velocity. Numerical results strongly agree with the experiments predicting accurate vibration amplitude, displacement frequency, and quasi-periodic displacement of the cantilever tip.« less

Cumulants, free cumulants and half-shuffles

PubMed Central

Ebrahimi-Fard, Kurusch; Patras, Frédéric

2015-01-01

Free cumulants were introduced as the proper analogue of classical cumulants in the theory of free probability. There is a mix of similarities and differences, when one considers the two families of cumulants. Whereas the combinatorics of classical cumulants is well expressed in terms of set partitions, that of free cumulants is described and often introduced in terms of non-crossing set partitions. The formal series approach to classical and free cumulants also largely differs. The purpose of this study is to put forward a different approach to these phenomena. Namely, we show that cumulants, whether classical or free, can be understood in terms of the algebra and combinatorics underlying commutative as well as non-commutative (half-)shuffles and (half-) unshuffles. As a corollary, cumulants and free cumulants can be characterized through linear fixed point equations. We study the exponential solutions of these linear fixed point equations, which display well the commutative, respectively non-commutative, character of classical and free cumulants. PMID:27547078

Energy-free machine learning force field for aluminum.

PubMed

Kruglov, Ivan; Sergeev, Oleg; Yanilkin, Alexey; Oganov, Artem R

2017-08-17

We used the machine learning technique of Li et al. (PRL 114, 2015) for molecular dynamics simulations. Atomic configurations were described by feature matrix based on internal vectors, and linear regression was used as a learning technique. We implemented this approach in the LAMMPS code. The method was applied to crystalline and liquid aluminum and uranium at different temperatures and densities, and showed the highest accuracy among different published potentials. Phonon density of states, entropy and melting temperature of aluminum were calculated using this machine learning potential. The results are in excellent agreement with experimental data and results of full ab initio calculations.

Deceleration of free aqueous droplets skirting across the surface of a pool of the same fluid

NASA Astrophysics Data System (ADS)

Hale, Jacob; Akers, Caleb

2014-11-01

The non-coalescence of a free droplet atop a pool of the same fluid can be greatly enhanced when the drop has an initial horizontal velocity relative to the pool surface. The glancing impact and viscous interaction between the droplet and the pool impart a significant rotation to the droplet causing it to roll and thus entraining air between the two fluids. The translational speed of such a droplet is shown to decrease exponentially in time but with a time constant that increases linearly in time. This complex deceleration of the drop is in part due to the drop's rotational deceleration, visualized with suspended, neutrally buoyant microbeads. The observed motion is described in terms of viscous dissipation of the rotating drop and a viscous shear force between the droplet and bath.

Flexible polyelectrolyte chain in a strong electrolyte solution: Insight into equilibrium properties and force-extension behavior from mesoscale simulation

NASA Astrophysics Data System (ADS)

Malekzadeh Moghani, Mahdy; Khomami, Bamin

2016-01-01

Macromolecules with ionizable groups are ubiquitous in biological and synthetic systems. Due to the complex interaction between chain and electrostatic decorrelation lengths, both equilibrium properties and micro-mechanical response of dilute solutions of polyelectrolytes (PEs) are more complex than their neutral counterparts. In this work, the bead-rod micromechanical description of a chain is used to perform hi-fidelity Brownian dynamics simulation of dilute PE solutions to ascertain the self-similar equilibrium behavior of PE chains with various linear charge densities, scaling of the Kuhn step length (lE) with salt concentration cs and the force-extension behavior of the PE chain. In accord with earlier theoretical predictions, our results indicate that for a chain with n Kuhn segments, lE ˜ cs-0.5 as linear charge density approaches 1/n. Moreover, the constant force ensemble simulation results accurately predict the initial non-linear force-extension region of PE chain recently measured via single chain experiments. Finally, inspired by Cohen's extraction of Warner's force law from the inverse Langevin force law, a novel numerical scheme is developed to extract a new elastic force law for real chains from our discrete set of force-extension data similar to Padè expansion, which accurately depicts the initial non-linear region where the total Kuhn length is less than the thermal screening length.

Flexible polyelectrolyte chain in a strong electrolyte solution: Insight into equilibrium properties and force-extension behavior from mesoscale simulation.

PubMed

Malekzadeh Moghani, Mahdy; Khomami, Bamin

2016-01-14

Macromolecules with ionizable groups are ubiquitous in biological and synthetic systems. Due to the complex interaction between chain and electrostatic decorrelation lengths, both equilibrium properties and micro-mechanical response of dilute solutions of polyelectrolytes (PEs) are more complex than their neutral counterparts. In this work, the bead-rod micromechanical description of a chain is used to perform hi-fidelity Brownian dynamics simulation of dilute PE solutions to ascertain the self-similar equilibrium behavior of PE chains with various linear charge densities, scaling of the Kuhn step length (lE) with salt concentration cs and the force-extension behavior of the PE chain. In accord with earlier theoretical predictions, our results indicate that for a chain with n Kuhn segments, lE ∼ cs (-0.5) as linear charge density approaches 1/n. Moreover, the constant force ensemble simulation results accurately predict the initial non-linear force-extension region of PE chain recently measured via single chain experiments. Finally, inspired by Cohen's extraction of Warner's force law from the inverse Langevin force law, a novel numerical scheme is developed to extract a new elastic force law for real chains from our discrete set of force-extension data similar to Padè expansion, which accurately depicts the initial non-linear region where the total Kuhn length is less than the thermal screening length.

Magnon-induced non-Markovian friction of a domain wall in a ferromagnet

NASA Astrophysics Data System (ADS)

Kim, Se Kwon; Tchernyshyov, Oleg; Galitski, Victor; Tserkovnyak, Yaroslav

2018-05-01

Motivated by the recent study on the quasiparticle-induced friction of solitons in superfluids, we theoretically study magnon-induced intrinsic friction of a domain wall in a one-dimensional ferromagnet. To this end, we start by obtaining the hitherto overlooked dissipative interaction of a domain wall and its quantum magnon bath to linear order in the domain-wall velocity and to quadratic order in magnon fields. An exact expression for the pertinent scattering matrix is obtained with the aid of supersymmetric quantum mechanics. We then derive the magnon-induced frictional force on a domain wall in two different frameworks: time-dependent perturbation theory in quantum mechanics and the Keldysh formalism, which yield identical results. The latter, in particular, allows us to verify the fluctuation-dissipation theorem explicitly by providing both the frictional force and the correlator of the associated stochastic Langevin force. The potential for magnons induced by a domain wall is reflectionless, and thus the resultant frictional force is non-Markovian similar to the case of solitons in superfluids. They share an intriguing connection to the Abraham-Lorentz force that is well known for its causality paradox. The dynamical responses of a domain wall are studied under a few simple circumstances, where the non-Markovian nature of the frictional force can be probed experimentally. Our work, in conjunction with the previous study on solitons in superfluids, shows that the macroscopic frictional force on solitons can serve as an effective probe of the microscopic degrees of freedom of the system.

Heat Transfer in Complex Fluids

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

Mehrdad Massoudi

Amongst the most important constitutive relations in Mechanics, when characterizing the behavior of complex materials, one can identify the stress tensor T, the heat flux vector q (related to heat conduction) and the radiant heating (related to the radiation term in the energy equation). Of course, the expression 'complex materials' is not new. In fact, at least since the publication of the paper by Rivlin & Ericksen (1955), who discussed fluids of complexity (Truesdell & Noll, 1992), to the recently published books (Deshpande et al., 2010), the term complex fluids refers in general to fluid-like materials whose response, namely themore » stress tensor, is 'non-linear' in some fashion. This non-linearity can manifest itself in variety of forms such as memory effects, yield stress, creep or relaxation, normal-stress differences, etc. The emphasis in this chapter, while focusing on the constitutive modeling of complex fluids, is on granular materials (such as coal) and non-linear fluids (such as coal-slurries). One of the main areas of interest in energy related processes, such as power plants, atomization, alternative fuels, etc., is the use of slurries, specifically coal-water or coal-oil slurries, as the primary fuel. Some studies indicate that the viscosity of coal-water mixtures depends not only on the volume fraction of solids, and the mean size and the size distribution of the coal, but also on the shear rate, since the slurry behaves as shear-rate dependent fluid. There are also studies which indicate that preheating the fuel results in better performance, and as a result of such heating, the viscosity changes. Constitutive modeling of these non-linear fluids, commonly referred to as non-Newtonian fluids, has received much attention. Most of the naturally occurring and synthetic fluids are non-linear fluids, for example, polymer melts, suspensions, blood, coal-water slurries, drilling fluids, mud, etc. It should be noted that sometimes these fluids show Newtonian (linear) behavior for a given range of parameters or geometries; there are many empirical or semi-empirical constitutive equations suggested for these fluids. There have also been many non-linear constitutive relations which have been derived based on the techniques of continuum mechanics. The non-linearities oftentimes appear due to higher gradient terms or time derivatives. When thermal and or chemical effects are also important, the (coupled) momentum and energy equations can give rise to a variety of interesting problems, such as instability, for example the phenomenon of double-diffusive convection in a fluid layer. In Conclusion, we have studied the flow of a compressible (density gradient type) non-linear fluid down an inclined plane, subject to radiation boundary condition. The heat transfer is also considered where a source term, similar to the Arrhenius type reaction, is included. The non-dimensional forms of the equations are solved numerically and the competing effects of conduction, dissipation, heat generation and radiation are discussed. It is observed that the velocity increases rapidly in the region near the inclined surface and is slower in the region near the free surface. Since R{sub 7} is a measure of the heat generation due to chemical reaction, when the reaction is frozen (R{sub 7}=0.0) the temperature distributions would depend only on R{sub 1}, and R{sub 2}, representing the effects of the pressure force developed in the material due to the distribution, R{sub 3} and R{sub 4} viscous dissipation, R{sub 5} the normal stress coefficient, R{sub 6} the measure of the emissivity of the particles to the thermal conductivity, etc. When the flow is not frozen (RP{sub 7} > 0) the temperature inside the flow domain is much higher than those at the inclined and free surfaces. As a result, heat is transferred away from the flow toward both the inclined surface and the free surface with a rate that increases as R{sub 7} increases. For a given temperature, an increase in {zeta} implies that the activation energy is smaller and thus, the reaction rate is increased leading to an increase in the heat of the reaction. As a result the flow is chemically heated and its temperature increase. The results shown here indicate that for all values of {zeta} used the chemical effects are significant and the temperature is always higher than both the surface temperature and the free surface temperature. The heat transfer is always from the flow toward both the inclined surface and the free stream. It is also noticed that for all values of m chosen in this study, the temperature is higher than the surface and the free stream temperature. The heat transfer at the inclined surface and at the free stream increase slowly for negative values of m to about m=0.5, but it begins to significantly increase for m greater than 0.5.« less

Spectral simulations of an axisymmetric force-free pulsar magnetosphere

NASA Astrophysics Data System (ADS)

Cao, Gang; Zhang, Li; Sun, Sineng

2016-02-01

A pseudo-spectral method with an absorbing outer boundary is used to solve a set of time-dependent force-free equations. In this method, both electric and magnetic fields are expanded in terms of the vector spherical harmonic (VSH) functions in spherical geometry and the divergence-free state of the magnetic field is enforced analytically by a projection method. Our simulations show that the Deutsch vacuum solution and the Michel monopole solution can be reproduced well by our pseudo-spectral code. Further, the method is used to present a time-dependent simulation of the force-free pulsar magnetosphere for an aligned rotator. The simulations show that the current sheet in the equatorial plane can be resolved well and the spin-down luminosity obtained in the steady state is in good agreement with the value given by Spitkovsky.

Design of a 2 kA, 30 fs Rf-Photoinjector for Waterbag Compression

NASA Astrophysics Data System (ADS)

van der Geer, S. B.; Luiten, O. J.; de Loos, M. J.

Because uniformly filled ellipsoidal ‘waterbag’ bunches have linear self-fields in all dimensions, they do not suffer from space-charge induced brightness degradation. This in turn allows very efficient longitudinal compression of high-brightness bunches at sub or mildly relativistic energies, a parameter regime inaccessible up to now due to detrimental effects of non-linear space-charge forces. To demonstrate the feasibility of this approach, we investigate ballistic bunching of 1 MeV, 100 pC waterbag electron bunches, created in a half-cell rf-photogun, by means of a two-cell booster-compressor. Detailed GPT simulations of this table-top set-up are presented, including realistic fields, 3D space-charge effects, path-length differences and image charges at the cathode. It is shown that with a single 10MW S-band klystron and fields of 100 MV/m, 2kA peak current is attainable with a pulse duration of only 30 fs at a transverse normalized emittance of 1.5 μm.

Casting the Coronal Magnetic Field Reconstructions with Magnetic Field Constraints above the Photosphere in 3D Using MHD Bifrost Model

NASA Astrophysics Data System (ADS)

Fleishman, G. D.; Anfinogentov, S.; Loukitcheva, M.; Mysh'yakov, I.; Stupishin, A.

2017-12-01

Measuring and modeling coronal magnetic field, especially above active regions (ARs), remains one of the central problems of solar physics given that the solar coronal magnetism is the key driver of all solar activity. Nowadays the coronal magnetic field is often modelled using methods of nonlinear force-free field reconstruction, whose accuracy has not yet been comprehensively assessed. Given that the coronal magnetic probing is routinely unavailable, only morphological tests have been applied to evaluate performance of the reconstruction methods and a few direct tests using available semi-analytical force-free field solution. Here we report a detailed casting of various tools used for the nonlinear force-free field reconstruction, such as disambiguation methods, photospheric field preprocessing methods, and volume reconstruction methods in a 3D domain using a 3D snapshot of the publicly available full-fledged radiative MHD model. We take advantage of the fact that from the realistic MHD model we know the magnetic field vector distribution in the entire 3D domain, which enables us to perform "voxel-by-voxel" comparison of the restored magnetic field and the true magnetic field in the 3D model volume. Our tests show that the available disambiguation methods often fail at the quiet sun areas, where the magnetic structure is dominated by small-scale magnetic elements, while they work really well at the AR photosphere and (even better) chromosphere. The preprocessing of the photospheric magnetic field, although does produce a more force-free boundary condition, also results in some effective `elevation' of the magnetic field components. The effective `elevation' height turns out to be different for the longitudinal and transverse components of the magnetic field, which results in a systematic error in absolute heights in the reconstructed magnetic data cube. The extrapolation performed starting from actual AR photospheric magnetogram (i.e., without preprocessing) are free from this systematic error, while have other metrics either comparable or only marginally worse than those estimated for extrapolations from the preprocessed magnetograms. This finding favors the use of extrapolations from the original photospheric magnetogram without preprocessing.

The Force-Free Magnetosphere of a Rotating Black Hole

NASA Technical Reports Server (NTRS)

Contopoulos, Ioannis; Kazanas, Demosthenes; Papadopoulos, Demetrios B.

2013-01-01

We revisit the Blandford-Znajek process and solve the fundamental equation that governs the structure of the steady-state force-free magnetosphere around a Kerr black hole. The solution depends on the distributions of the magnetic field angular velocity and the poloidal electric current. These are not arbitrary. They are determined self-consistently by requiring that magnetic field lines cross smoothly the two singular surfaces of the problem: the inner "light surface" located inside the ergosphere and the outer "light surface" which is the generalization of the pulsar light cylinder.We find the solution for the simplest possible magnetic field configuration, the split monopole, through a numerical iterative relaxation method analogous to the one that yields the structure of the steady-state axisymmetric force-free pulsar magnetosphere. We obtain the rate of electromagnetic extraction of energy and confirm the results of Blandford and Znajek and of previous time-dependent simulations. Furthermore, we discuss the physical applicability of magnetic field configurations that do not cross both "light surfaces."

Instabilities of the force-free current configurations

NASA Astrophysics Data System (ADS)

Berseth, V.; Indenbom, M. V.; van der Beek, C. J.; Erb, A.; Walker, E.; Flükiger, R.; Benoit, W.

1996-03-01

Using the magneto-optic technique, it is shown that inductively induced force-free current configurations in high purity YBa2Cu3O7-δ single crystals become unstable above a certain well-defined amplitude and frequency of the variation of the applied perpendicular field.

Analysis of high gradient magnetic field effects on distribution of nanoparticles injected into pulsatile blood stream

NASA Astrophysics Data System (ADS)

Reza Habibi, Mohammad; Ghassemi, Majid; Hossien Hamedi, Mohammad

2012-04-01

Magnetic nanoparticles are widely used in a wide range of applications including data storage materials, pharmaceutical industries as magnetic separation tools, anti-cancer drug carriers and micro valve applications. The purpose of the current study is to investigate the effect of a non-uniform magnetic field on bio-fluid (blood) with magnetic nanoparticles. The effect of particles as well as mass fraction on flow field and volume concentration is investigated. The governing non-linear differential equations, concentration and Navier-stokes are coupled with the magnetic field. To solve these equations, a finite volume based code is developed and utilized. A real pulsatile velocity is utilized as inlet boundary condition. This velocity is extracted from an actual experimental data. Three percent nanoparticles volume concentration, as drug carrier, is steadily injected in an unsteady, pulsatile and non-Newtonian flow. A power law model is considered for the blood viscosity. The results show that during the systole section of the heartbeat when the blood velocity increases, the magnetic nanoparticles near the magnetic source are washed away. This is due to the sudden increase of the hydrodynamic force, which overcomes the magnetic force. The probability of vein blockage increases when the blood velocity reduces during the diastole time. As nanoparticles velocity injection decreases (longer injection time) the wall shear stress (especially near the injection area) decreases and the retention time of the magnetic nanoparticles in the blood flow increases.

Free-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differences.

PubMed

Best, Robert B; Mittal, Jeetain

2011-04-01

Although it is now possible to fold peptides and miniproteins in molecular dynamics simulations, it is well appreciated that force fields are not all transferable to different proteins. Here, we investigate the influence of the protein force field and the solvent model on the folding energy landscape of a prototypical two-state folder, the GB1 hairpin. We use extensive replica-exchange molecular dynamics simulations to characterize the free-energy surface as a function of temperature. Most of these force fields appear similar at a global level, giving a fraction folded at 300 K between 0.2 and 0.8 in all cases, which is a difference in stability of 2.8 kT, and are generally consistent with experimental data at this temperature. The most significant differences appear in the unfolded state, where there are different residual secondary structures which are populated, and the overall dimensions of the unfolded states, which in most of the force fields are too collapsed relative to experimental Förster Resonance Energy Transfer (FRET) data.

Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins

NASA Astrophysics Data System (ADS)

Egwolf, Bernhard; Tavan, Paul

2003-02-01

We present a continuum approach for efficient and accurate calculation of reaction field forces and energies in classical molecular-dynamics (MD) simulations of proteins in water. The derivation proceeds in two steps. First, we reformulate the electrostatics of an arbitrarily shaped molecular system, which contains partially charged atoms and is embedded in a dielectric continuum representing the water. A so-called fuzzy partition is used to exactly decompose the system into partial atomic volumes. The reaction field is expressed by means of dipole densities localized at the atoms. Since these densities cannot be calculated analytically for general systems, we introduce and carefully analyze a set of approximations in a second step. These approximations allow us to represent the dipole densities by simple dipoles localized at the atoms. We derive a system of linear equations for these dipoles, which can be solved numerically by iteration. After determining the two free parameters of our approximate method we check its quality by comparisons (i) with an analytical solution, which is available for a perfectly spherical system, (ii) with forces obtained from a MD simulation of a soluble protein in water, and (iii) with reaction field energies of small molecules calculated by a finite difference method.

Force field development with GOMC, a fast new Monte Carlo molecular simulation code

NASA Astrophysics Data System (ADS)

Mick, Jason Richard

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable of reproducing pure fluid behavior and binary mixture behavior to a high degree of accuracy.

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

PubMed Central

Zhou, Yu-Ping; Jiang, Jin-Wu

2017-01-01

While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first-principles calculations. The key ingredients for these molecular dynamics simulations are the two efficient empirical potentials developed in the present work for the interaction of borophene with low-energy triangular structure. The first one is the valence force field model, which is developed with the assistance of the phonon dispersion of borophene. The valence force field model is a linear potential, so it is rather efficient for the calculation of linear quantities in borophene. The second one is the Stillinger-Weber potential, whose parameters are derived based on the valence force field model. The Stillinger-Weber potential is applicable in molecular dynamics simulations of nonlinear physical or mechanical quantities in borophene. PMID:28349983

Reconciling Structural and Thermodynamic Predictions Using All-Atom and Coarse-Grain Force Fields: The Case of Charged Oligo-Arginine Translocation into DMPC Bilayers

PubMed Central

2015-01-01

Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide–water and peptide–membrane interactions allow prediction of free energy minima at the bilayer–water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are −2.51, −4.28, and −5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are −0.83, −3.33, and −3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of configurations generated using the all-atom and coarse-grain force fields. Both resolutions show that oligo-arginine peptides adopt preferential orientations as they translocate into the bilayer. The guiding theme centers on charged groups maintaining coordination with polar and charged bilayer components as well as local water. We also observe similar behaviors related with membrane deformations. PMID:25290376

Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

PubMed

Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

2014-10-16

Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of configurations generated using the all-atom and coarse-grain force fields. Both resolutions show that oligo-arginine peptides adopt preferential orientations as they translocate into the bilayer. The guiding theme centers on charged groups maintaining coordination with polar and charged bilayer components as well as local water. We also observe similar behaviors related with membrane deformations.

A conformal approach for the analysis of the non-linear stability of radiation cosmologies

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

Luebbe, Christian, E-mail: c.luebbe@ucl.ac.uk; Department of Mathematics, University of Leicester, University Road, LE1 8RH; Valiente Kroon, Juan Antonio, E-mail: j.a.valiente-kroon@qmul.ac.uk

2013-01-15

The conformal Einstein equations for a trace-free (radiation) perfect fluid are derived in terms of the Levi-Civita connection of a conformally rescaled metric. These equations are used to provide a non-linear stability result for de Sitter-like trace-free (radiation) perfect fluid Friedman-Lemaitre-Robertson-Walker cosmological models. The solutions thus obtained exist globally towards the future and are future geodesically complete. - Highlights: Black-Right-Pointing-Pointer We study the Einstein-Euler system in General Relativity using conformal methods. Black-Right-Pointing-Pointer We analyze the structural properties of the associated evolution equations. Black-Right-Pointing-Pointer We establish the non-linear stability of pure radiation cosmological models.

An equivalent frequency approach for determining non-linear effects on pre-tensioned-cable cross-braced structures

NASA Astrophysics Data System (ADS)

Giaccu, Gian Felice

2018-05-01

Pre-tensioned cable braces are widely used as bracing systems in various structural typologies. This technology is fundamentally utilized for stiffening purposes in the case of steel and timber structures. The pre-stressing force imparted to the braces provides to the system a remarkable increment of stiffness. On the other hand, the pre-tensioning force in the braces must be properly calibrated in order to satisfactorily meet both serviceability and ultimate limit states. Dynamic properties of these systems are however affected by non-linear behavior due to potential slackening of the pre-tensioned brace. In the recent years the author has been working on a similar problem regarding the non-linear response of cables in cable-stayed bridges and braced structures. In the present paper a displacement-based approach is used to examine the non-linear behavior of a building system. The methodology operates through linearization and allows obtaining an equivalent linearized frequency to approximately characterize, mode by mode, the dynamic behavior of the system. The equivalent frequency depends on both the mechanical characteristics of the system, the pre-tensioning level assigned to the braces and a characteristic vibration amplitude. The proposed approach can be used as a simplified technique, capable of linearizing the response of structural systems, characterized by non-linearity induced by the slackening of pre-tensioned braces.

Systematic parameter study of dynamo bifurcations in geodynamo simulations

NASA Astrophysics Data System (ADS)

Petitdemange, Ludovic

2018-04-01

We investigate the nature of the dynamo bifurcation in a configuration applicable to the Earth's liquid outer core, i.e. in a rotating spherical shell with thermally driven motions with no-slip boundaries. Unlike in previous studies on dynamo bifurcations, the control parameters have been varied significantly in order to deduce general tendencies. Numerical studies on the stability domain of dipolar magnetic fields found a dichotomy between non-reversing dipole-dominated dynamos and the reversing non-dipole-dominated multipolar solutions. We show that, by considering weak initial fields, the above transition disappears and is replaced by a region of bistability for which dipolar and multipolar dynamos coexist. Such a result was also observed in models with free-slip boundaries in which the geostrophic zonal flow can develop and participate to the dynamo mechanism for non-dipolar fields. We show that a similar process develops in no-slip models when viscous effects are reduced sufficiently. The following three regimes are distinguished: (i) Close to the onset of convection (Rac) with only the most critical convective mode (wave number) being present, dynamos set in supercritically in the Ekman number regime explored here and are dipole-dominated. Larger critical magnetic Reynolds numbers indicate that they are particularly inefficient. (ii) in the range 3 < Ra /Rac 10) , the relative importance of zonal flows increases with Ra in non-magnetic models. The field topology depends on the magnitude of the initial magnetic field. The dipolar branch has a subcritical behavior whereas the multipolar branch has a supercritical behavior. By approaching more realistic parameters, the extension of this bistable regime increases. A hysteretic behavior questions the common interpretation for geomagnetic reversals. Far above the dynamo threshold (by increasing the magnetic Prandtl number), Lorentz forces contribute to the first order force balance, as predicted for planetary dynamos. When Ra is sufficiently high, dipolar fields affect significantly the flow speed, the flow structure and heat transfer which is reduced by the Lorentz force regardless of the field strength. This physical regime seems to be relevant for studying geomagnetic processes.

Wave Driven Non-linear Flow Oscillator for the 22-Year Solar Cycle

NASA Technical Reports Server (NTRS)

Mayr, Hans G.; Wolff, Charles L.; Hartle, Richard E.; Einaudi, Franco (Technical Monitor)

2000-01-01

In the Earth's atmosphere, a zonal flow oscillation is observed with periods between 20 and 32 months, the Quasi Biennial Oscillation. This oscillation does not require external time dependent forcing but is maintained by non-linear wave momentum deposition. It is proposed that such a mechanism also drives long-period oscillations in planetary and stellar interiors. We apply this mechanism to generate a flow oscillation for the 22-year solar cycle. The oscillation would occur just below the convective envelope where waves can propagate. Using scale analysis, we present results from a simplified model that incorporates Hines' gravity wave parameterization. Wave amplitudes less than 10 m/s can produce reversing zonal flows of 25 m/s that should be sufficient to generate a corresponding oscillation in the poloidal magnetic field. Low buoyancy frequency and the associated increase in turbulence help to produce the desired oscillation period of the flow.

Internal friction between fluid particles of MHD tangent hyperbolic fluid with heat generation: Using coefficients improved by Cash and Karp

NASA Astrophysics Data System (ADS)

Salahuddin, T.; Khan, Imad; Malik, M. Y.; Khan, Mair; Hussain, Arif; Awais, Muhammad

2017-05-01

The present work examines the internal resistance between fluid particles of tangent hyperbolic fluid flow due to a non-linear stretching sheet with heat generation. Using similarity transformations, the governing system of partial differential equations is transformed into a coupled non-linear ordinary differential system with variable coefficients. Unlike the current analytical works on the flow problems in the literature, the main concern here is to numerically work out and find the solution by using Runge-Kutta-Fehlberg coefficients improved by Cash and Karp (Naseer et al., Alexandria Eng. J. 53, 747 (2014)). To determine the relevant physical features of numerous mechanisms acting on the deliberated problem, it is sufficient to have the velocity profile and temperature field and also the drag force and heat transfer rate all as given in the current paper.

Dynamically Consistent Parameterization of Mesoscale Eddies This work aims at parameterization of eddy effects for use in non-eddy-resolving ocean models and focuses on the effect of the stochastic part of the eddy forcing that backscatters and induces eastward jet extension of the western boundary currents and its adjacent recirculation zones.

NASA Astrophysics Data System (ADS)

Berloff, P. S.

2016-12-01

This work aims at developing a framework for dynamically consistent parameterization of mesoscale eddy effects for use in non-eddy-resolving ocean circulation models. The proposed eddy parameterization framework is successfully tested on the classical, wind-driven double-gyre model, which is solved both with explicitly resolved vigorous eddy field and in the non-eddy-resolving configuration with the eddy parameterization replacing the eddy effects. The parameterization focuses on the effect of the stochastic part of the eddy forcing that backscatters and induces eastward jet extension of the western boundary currents and its adjacent recirculation zones. The parameterization locally approximates transient eddy flux divergence by spatially localized and temporally periodic forcing, referred to as the plunger, and focuses on the linear-dynamics flow solution induced by it. The nonlinear self-interaction of this solution, referred to as the footprint, characterizes and quantifies the induced eddy forcing exerted on the large-scale flow. We find that spatial pattern and amplitude of each footprint strongly depend on the underlying large-scale flow, and the corresponding relationships provide the basis for the eddy parameterization and its closure on the large-scale flow properties. Dependencies of the footprints on other important parameters of the problem are also systematically analyzed. The parameterization utilizes the local large-scale flow information, constructs and scales the corresponding footprints, and then sums them up over the gyres to produce the resulting eddy forcing field, which is interactively added to the model as an extra forcing. Thus, the assumed ensemble of plunger solutions can be viewed as a simple model for the cumulative effect of the stochastic eddy forcing. The parameterization framework is implemented in the simplest way, but it provides a systematic strategy for improving the implementation algorithm.

Quasi-static three-dimensional magnetic field evolution in solar active region NOAA 11166 associated with an X1.5 flare

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

Vemareddy, P.; Wiegelmann, T., E-mail: vema@prl.res.in, E-mail: wiegelmann@mps.mpg.de

We study the quasi-static evolution of coronal magnetic fields constructed from the non-linear force-free field (NLFFF) approximation aiming to understand the relation between the magnetic field topology and ribbon emission during an X1.5 flare in active region (AR) NOAA 11166. The flare with a quasi-elliptical and two remote ribbons occurred on 2011 March 9 at 23:13 UT over a positive flux region surrounded by negative flux at the center of the bipolar AR. Our analysis of the coronal magnetic structure with potential and NLFFF solutions unveiled the existence of a single magnetic null point associated with a fan-spine topology andmore » is co-spatial with the hard X-ray source. The footpoints of the fan separatrix surface agree with the inner edge of the quasi-elliptical ribbon and the outer spine is linked to one of the remote ribbons. During the evolution, the slow footpoint motions stressed the field lines along the polarity inversion line and caused electric current layers in the corona around the fan separatrix surface. These current layers trigger magnetic reconnection as a consequence of dissipating currents, which are visible as cusp-shaped structures at lower heights. The reconnection process reorganized the magnetic field topology whose signatures are observed at the separatrices/quasi-separatrix layer structure in both the photosphere and the corona during the pre-to-post flare evolution. In agreement with previous numerical studies, our results suggest that the line-tied footpoint motions perturb the fan-spine system and cause null point reconnection, which eventually causes the flare emission at the footpoints of the field lines.« less

Effects of structural nonlinearity on subsonic aeroelastic characteristics of an aircraft wing with control surface

NASA Astrophysics Data System (ADS)

Bae, J.-S.; Inman, D. J.; Lee, I.

2004-07-01

The nonlinear aeroelastic characteristics of an aircraft wing with a control surface are investigated. A doublet-hybrid method is used for the calculation of subsonic unsteady aerodynamic forces and the minimum-state approximation is used for the approximation of aerodynamic forces. A free vibration analysis is performed using the finite element and the fictitious mass methods. The structural nonlinearity in the control surface hinge is represented by both free-play and a bilinear nonlinearity. These nonlinearities are linearized using the describing function method. From the nonlinear flutter analysis, various types of limit cycle oscillations and periodic motions are observed in a wide range of air speeds below the linear flutter boundary. The effects of structural nonlinearities on aeroelastic characteristics are investigated.

Investigation of a 7-pole/6-slot Halbach-magnetized permanent-magnet linear alternator used for free-piston stirling engines

NASA Astrophysics Data System (ADS)

Zheng, Ping; Tong, Chengde; Zhao, Jing; Yu, Bin; Li, Lin; Bai, Jingang; Zhang, Lu

2012-04-01

This paper investigates a 7-pole/6-slot Halbach-magnetized permanent-magnet linear alternator used for free piston Stirling engines (FPSEs). Taking the advantages of Halbach array, a 1 kW prototype alternator is designed. Considering the rms value of electromotive force (EMF) and harmonic distortion, the optimal length ratio of the axial- and radial-magnetized permanent magnets and thicknesses of the permanent magnets are optimized by 2D finite element method. The alternator detent force, which is an important factor for smooth operation of FPSEs, is studied by optimizing slot tip and end tooth. The load and thermal performances of the final design are simulated. A prototype alternator was designed, built and tested. Experimental data indicated satisfactory design.

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants

PubMed Central

Ewen, James P.; Gattinoni, Chiara; Thakkar, Foram M.; Morgan, Neal; Spikes, Hugh A.; Dini, Daniele

2016-01-01

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n-hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n-hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n-hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently under-predicted and the friction-coverage and friction-velocity behavior deviates from that observed using all-atom force-fields and experimentally. This has important implications regarding force-field selection for NEMD simulations of systems containing long-chain, linear molecules; specifically, it is recommended that accurate all-atom potentials, such as L-OPLS-AA, are employed. PMID:28773773

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants.

PubMed

Ewen, James P; Gattinoni, Chiara; Thakkar, Foram M; Morgan, Neal; Spikes, Hugh A; Dini, Daniele

2016-08-02

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n -hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n -hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n -hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently under-predicted and the friction-coverage and friction-velocity behavior deviates from that observed using all-atom force-fields and experimentally. This has important implications regarding force-field selection for NEMD simulations of systems containing long-chain, linear molecules; specifically, it is recommended that accurate all-atom potentials, such as L-OPLS-AA, are employed.

In situ magnetic compensation for potassium spin-exchange relaxation-free magnetometer considering probe beam pumping effect.

PubMed

Fang, Jiancheng; Wang, Tao; Quan, Wei; Yuan, Heng; Zhang, Hong; Li, Yang; Zou, Sheng

2014-06-01

A novel method to compensate the residual magnetic field for an atomic magnetometer consisting of two perpendicular beams of polarizations was demonstrated in this paper. The method can realize magnetic compensation in the case where the pumping rate of the probe beam cannot be ignored. In the experiment, the probe beam is always linearly polarized, whereas, the probe beam contains a residual circular component due to the imperfection of the polarizer, which leads to the pumping effect of the probe beam. A simulation of the probe beam's optical rotation and pumping rate was demonstrated. At the optimized points, the wavelength of the probe beam was optimized to achieve the largest optical rotation. Although, there is a small circular component in the linearly polarized probe beam, the pumping rate of the probe beam was non-negligible at the optimized wavelength which if ignored would lead to inaccuracies in the magnetic field compensation. Therefore, the dynamic equation of spin evolution was solved by considering the pumping effect of the probe beam. Based on the quasi-static solution, a novel magnetic compensation method was proposed, which contains two main steps: (1) the non-pumping compensation and (2) the sequence compensation with a very specific sequence. After these two main steps, a three-axis in situ magnetic compensation was achieved. The compensation method was suitable to design closed-loop spin-exchange relaxation-free magnetometer. By a combination of the magnetic compensation and the optimization, the magnetic field sensitivity was approximately 4 fT/Hz(1/2), which was mainly dominated by the noise of the magnetic shield.

Structure-based prediction of free energy changes of binding of PTP1B inhibitors

NASA Astrophysics Data System (ADS)

Wang, Jing; Ling Chan, Shek; Ramnarayan, Kal

2003-08-01

The goals were (1) to understand the driving forces in the binding of small molecule inhibitors to the active site of PTP1B and (2) to develop a molecular mechanics-based empirical free energy function for compound potency prediction. A set of compounds with known activities was docked onto the active site. The related energy components and molecular surface areas were calculated. The bridging water molecules were identified and their contributions were considered. Linear relationships were explored between the above terms and the binding free energies of compounds derived based on experimental inhibition constants. We found that minimally three terms are required to give rise to a good correlation (0.86) with predictive power in five-group cross-validation test (q2 = 0.70). The dominant terms are the electrostatic energy and non-electrostatic energy stemming from the intra- and intermolecular interactions of solutes and from those of bridging water molecules in complexes.

Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

NASA Astrophysics Data System (ADS)

Chiang, C. K.; Xue, David Y.; Mei, Chuh

1993-04-01

A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

NASA Technical Reports Server (NTRS)

Chiang, C. K.; Xue, David Y.; Mei, Chuh

1993-01-01

A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

Linear analysis of a force reflective teleoperator

NASA Technical Reports Server (NTRS)

Biggers, Klaus B.; Jacobsen, Stephen C.; Davis, Clark C.

1989-01-01

Complex force reflective teleoperation systems are often very difficult to analyze due to the large number of components and control loops involved. One mode of a force reflective teleoperator is described. An analysis of the performance of the system based on a linear analysis of the general full order model is presented. Reduced order models are derived and correlated with the full order models. Basic effects of force feedback and position feedback are examined and the effects of time delays between the master and slave are studied. The results show that with symmetrical position-position control of teleoperators, a basic trade off must be made between the intersystem stiffness of the teleoperator, and the impedance felt by the operator in free space.

Acoustic attraction, repulsion and radiation force cancellation on a pair of rigid particles with arbitrary cross-sections in 2D: Circular cylinders example

NASA Astrophysics Data System (ADS)

Mitri, F. G.

2017-11-01

The acoustic radiation forces arising on a pair of sound impenetrable cylindrical particles of arbitrary cross-sections are derived. Plane progressive, standing or quasi-standing waves with an arbitrary incidence angle are considered. Multiple scattering effects are described using the multipole expansion formalism and the addition theorem of cylindrical wave functions. An effective incident acoustic field on a particular object is determined, and used with the scattered field to derive closed-form analytical expressions for the radiation force vector components. The mathematical expressions for the radiation force components are exact, and have been formulated in partial-wave series expansions in cylindrical coordinates involving the angle of incidence, the reflection coefficient forming the progressive or the (quasi)standing wave field, the addition theorem, and the expansion coefficients. Numerical examples illustrate the analysis for two rigid circular cross-sections immersed in a non-viscous fluid. Computations for the dimensionless radiation force functions are performed with emphasis on varying the angle of incidence, the interparticle distance, the sizes of the particles as well as the characteristics of the incident field. Depending on the interparticle distance and angle of incidence, one of the particles yields neutrality; it experiences no force and becomes unresponsive (i.e., ;invisible;) to the linear momentum transfer of the effective incident field due to multiple scattering cancellation effects. Moreover, attractive or repulsive forces between the two particles may arise depending on the interparticle distance, the angle of incidence and size parameters of the particles. This study provides a complete analytical method and computations for the axial and transverse radiation force components in multiple acoustic scattering encompassing the cases of plane progressive, standing or quasi-standing waves of arbitrary incidence by a pair of scatterers. Potential applications concern the prediction of the forces used in acoustically-engineered metamaterials with reconfigurable periodicities, cloaking devices, and liquid crystals to name a few examples.

Study of free-piston Stirling engine driven linear alternators

NASA Technical Reports Server (NTRS)

Nasar, S. A.; Chen, C.

1987-01-01

The analysis, design and operation of single phase, single slot tubular permanent magnet linear alternator is presented. Included is the no-load and on-load magnetic field investigation, permanent magnet's leakage field analysis, parameter identification, design guidelines and an optimal design of a permanent magnet linear alternator. For analysis of the magnetic field, a simplified magnetic circuit is utilized. The analysis accounts for saturation, leakage and armature reaction.

The influence of inhomogeneous magnetic field over a NdFeB guideway on levitation force of the HTS bulk maglev system

NASA Astrophysics Data System (ADS)

Zhao, Lifeng; Deng, Jiangtao; Li, Linbo; Feng, Ning; Wei, Pu; Lei, Wei; Jiang, Jing; Wang, Xiqin; Zhang, Yong; Zhao, Yong

2018-04-01

Dynamic responses of high temperature superconducting bulk to inhomogeneous magnetic field distribution of permanent magnet guideway, as well as enlarged amplitude of magnetic field obtained by partially covering the permanent magnet guideway (PMG) with iron sheets in different thickness, are investigated. Experiments show that the instantaneous levitation force increases with the increase of the variation rate of magnetic field (dB/dt). Meanwhile, inhomogeneous magnetic field from PMG causes the decay of levitation force. The decay of levitation force almost increases linearly with the increase of alternating magnetic field amplitude. It should be very important for the application of high-speed maglev system.

Commercial-Off-the-Shelf (COTS), Volatile Organic Compounds (VOCs) and Hazardous Air Pollutants (HAPs)-Free, Non-Chromate Low Temperature Powder Coating (LTPC) System for United States Air Force use (PHASE II )

DTIC Science & Technology

2017-09-12

and Hazardous Air Pollutants (HAPs)-Free, non -chromate low temperature powder coating (LTPC) system for United States Air Force use PHASE II PR...required to support and successfully complete this effort. 1.1 Objective(s). The Contractor shall be required to demonstrate a non -chromate...5.0 General Information 5.1 Continuation of Mission-Essential Services During a Crisis. The Functional Commander (FC) or civilian equivalent has

Free Fall and Harmonic Oscillations: Analyzing Trampoline Jumps

ERIC Educational Resources Information Center

Pendrill, Ann-Marie; Eager, David

2015-01-01

Trampolines can be found in many gardens and also in some playgrounds. They offer an easily accessible vertical motion that includes free fall. In this work, the motion on a trampoline is modelled by assuming a linear relation between force and deflection, giving harmonic oscillations for small amplitudes. An expression for the cycle-time is…

Insight into efficient image registration techniques and the demons algorithm.

PubMed

Vercauteren, Tom; Pennec, Xavier; Malis, Ezio; Perchant, Aymeric; Ayache, Nicholas

2007-01-01

As image registration becomes more and more central to many biomedical imaging applications, the efficiency of the algorithms becomes a key issue. Image registration is classically performed by optimizing a similarity criterion over a given spatial transformation space. Even if this problem is considered as almost solved for linear registration, we show in this paper that some tools that have recently been developed in the field of vision-based robot control can outperform classical solutions. The adequacy of these tools for linear image registration leads us to revisit non-linear registration and allows us to provide interesting theoretical roots to the different variants of Thirion's demons algorithm. This analysis predicts a theoretical advantage to the symmetric forces variant of the demons algorithm. We show that, on controlled experiments, this advantage is confirmed, and yields a faster convergence.

Mechanism of travelling-wave transport of particles

NASA Astrophysics Data System (ADS)

Kawamoto, Hiroyuki; Seki, Kyogo; Kuromiya, Naoyuki

2006-03-01

Numerical and experimental investigations have been carried out on transport of particles in an electrostatic travelling field. A three-dimensional hard-sphere model of the distinct element method was developed to simulate the dynamics of particles. Forces applied to particles in the model were the Coulomb force, the dielectrophoresis force on polarized dipole particles in a non-uniform field, the image force, gravity and the air drag. Friction and repulsion between particle-particle and particle-conveyer were included in the model to replace initial conditions after mechanical contacts. Two kinds of experiments were performed to confirm the model. One was the measurement of charge of particles that is indispensable to determine the Coulomb force. Charge distribution was measured from the locus of free-fallen particles in a parallel electrostatic field. The averaged charge of the bulk particle was confirmed by measurement with a Faraday cage. The other experiment was measurements of the differential dynamics of particles on a conveyer consisting of parallel electrodes to which a four-phase travelling electrostatic wave was applied. Calculated results agreed with measurements, and the following characteristics were clarified. (1) The Coulomb force is the predominant force to drive particles compared with the other kinds of forces, (2) the direction of particle transport did not always coincide with that of the travelling wave but changed partially. It depended on the frequency of the travelling wave, the particle diameter and the electric field, (3) although some particles overtook the travelling wave at a very low frequency, the motion of particles was almost synchronized with the wave at the low frequency and (4) the transport of some particles was delayed to the wave at medium frequency; the majority of particles were transported backwards at high frequency and particles were not transported but only vibrated at very high frequency.

Spectral Cauchy Characteristic Extraction: Gravitational Waves and Gauge Free News

NASA Astrophysics Data System (ADS)

Handmer, Casey; Szilagyi, Bela; Winicour, Jeff

2015-04-01

We present a fast, accurate spectral algorithm for the characteristic evolution of the full non-linear vacuum Einstein field equations in the Bondi framework. Developed within the Spectral Einstein Code (SpEC), we demonstrate how spectral Cauchy characteristic extraction produces gravitational News without confounding gauge effects. We explain several numerical innovations and demonstrate speed, stability, accuracy, exponential convergence, and consistency with existing methods. We highlight its capability to deliver physical insights in the study of black hole binaries.

Magnetic fields in giant planet formation and protoplanetary discs

NASA Astrophysics Data System (ADS)

Keith, Sarah Louise

2015-12-01

Protoplanetary discs channel accretion onto their host star. How this is achieved is critical to the growth of giant planets which capture their massive gaseous atmosphere from the surrounding flow. Theoretical studies find that an embedded magnetic field could power accretion by hydromagnetic turbulence or torques from a large-scale field. This thesis presents a study of the inuence of magnetic fields in three key aspects of this process: circumplanetary disc accretion, gas flow across gaps in protoplanetary discs, and magnetic-braking in accretion discs. The first study examines the conditions needed for self-consistent accretion driven by magnetic fields or gravitational instability. Models of these discs typically rely on hydromagnetic turbulence as the source of effective viscosity. However, magnetically coupled,accreting regions may be so limited that the disc may not support sufficient inflow. An improved Shakura-Sunyaev ? disc is used to calculate the ionisation fraction and strength of non-ideal effects. Steady magnetically-driven accretion is limited to the thermally ionised, inner disc so that accretion in the remainder of the disc is time-dependent. The second study addresses magnetic flux transport in an accretion gap evacuated by a giant planet. Assuming the field is passively drawn along with the gas, the hydrodynamical simulation of Tanigawa, Ohtsuki & Machida (2012) is used for an a posteriori analysis of the gap field structure. This is used to post-calculate magnetohydrodynamical quantities. This assumption is self-consistent as magnetic forces are found to be weak, and good magnetic coupling ensures the field is frozen into the gas. Hall drift dominates across much of the gap, with the potential to facilitate turbulence and modify the toroidal field according to the global field orientation. The third study considers the structure and stability of magnetically-braked accretion discs. Strong evidence for MRI dead-zones has renewed interest in accretion powered by large-scale fields. An equilibrium model is presented for the radial structure of an axisymmetric, magnetically-braked accretion disc connected to a force-free external field. The accretion rate is multivalued at protoplanetary disc column densities, featuring an `S-curve' associated with models of accretion outbursting. A local, linear analysis of the stability of radial modes finds that the rapidly accreting, middle and upper solution branches are unstable, further highlighting the potential for eruptive accretion events.

Deriving the Coronal Magnetic Field Using Parametric Transformation Analysis

NASA Technical Reports Server (NTRS)

Gary, G. Allen; Rose, M. Franklin (Technical Monitor)

2001-01-01

When plasma-beta greater than 1 then the gas pressure dominates over the magnetic pressure. This ratio as a function along the coronal magnetic field lines varies from beta greater than 1 in the photosphere at the base of the field lines, to beta much less than 1 in the mid-corona, to beta greater than 1 in the upper corona. Almost all magnetic field extrapolations do not or cannot take into account the full range of beta. They essentially assume beta much less than 1, since the full boundary conditions do not exist in the beta greater than 1 regions. We use a basic parametric representation of the magnetic field lines such that the field lines can be manipulated to match linear features in the EUV and SXR coronal images in a least squares sense. This research employs free-form deformation mathematics to generate the associated coronal magnetic field. In our research program, the complex magnetic field topology uses Parametric Transformation Analysis (PTA) which is a new and innovative method to describe the coronal fields that we are developing. In this technique the field lines can be viewed as being embedded in a plastic medium, the frozen-in-field-line concept. As the medium is deformed the field lines are similarly deformed. However the advantage of the PTA method is that the field line movement represents a transformation of one magnetic field solution into another magnetic field solution. When fully implemented, this method will allow the resulting magnetic field solution to fully match the magnetic field lines with EUV/SXR coronal loops by minimizing the differences in direction and dispersion of a collection of PTA magnetic field lines and observed field lines. The derived magnetic field will then allow beta greater than 1 regions to be included, the electric currents to be calculated, and the Lorentz force to be determined. The advantage of this technique is that the solution is: (1) independent of the upper and side boundary conditions, (2) allows non-vanishing magnetic forces, and (3) provides a global magnetic field solution, which contains high- and low-beta regimes and maximizes the similarity between the field lines structure and all the coronal images of the region. The coronal image analysis is crucial to the investigation and for the first time these images can be exploited to derive the coronal magnetic field in a well-posed mathematical formulation. This program is an outgrowth of an investigation in which an extrapolated potential field was required to be "inflated" in order to have the field lines match the Yohkoh/SXT images. The field lines were radially stretched resulting in a better match to the coronal loops of an active region. The PTA method of radial and non-radial deformations of field lines to provide a match to the EUV/SXR images will be presented.

3D non-linear inversion of magnetic anomalies caused by prismatic bodies using differential evolution algorithm

NASA Astrophysics Data System (ADS)

Balkaya, Çağlayan; Ekinci, Yunus Levent; Göktürkler, Gökhan; Turan, Seçil

2017-01-01

3D non-linear inversion of total field magnetic anomalies caused by vertical-sided prismatic bodies has been achieved by differential evolution (DE), which is one of the population-based evolutionary algorithms. We have demonstrated the efficiency of the algorithm on both synthetic and field magnetic anomalies by estimating horizontal distances from the origin in both north and east directions, depths to the top and bottom of the bodies, inclination and declination angles of the magnetization, and intensity of magnetization of the causative bodies. In the synthetic anomaly case, we have considered both noise-free and noisy data sets due to two vertical-sided prismatic bodies in a non-magnetic medium. For the field case, airborne magnetic anomalies originated from intrusive granitoids at the eastern part of the Biga Peninsula (NW Turkey) which is composed of various kinds of sedimentary, metamorphic and igneous rocks, have been inverted and interpreted. Since the granitoids are the outcropped rocks in the field, the estimations for the top depths of two prisms representing the magnetic bodies were excluded during inversion studies. Estimated bottom depths are in good agreement with the ones obtained by a different approach based on 3D modelling of pseudogravity anomalies. Accuracy of the estimated parameters from both cases has been also investigated via probability density functions. Based on the tests in the present study, it can be concluded that DE is a useful tool for the parameter estimation of source bodies using magnetic anomalies.

On the predictiveness of single-field inflationary models

NASA Astrophysics Data System (ADS)

Burgess, C. P.; Patil, Subodh P.; Trott, Michael

2014-06-01

We re-examine the predictiveness of single-field inflationary models and discuss how an unknown UV completion can complicate determining inflationary model parameters from observations, even from precision measurements. Besides the usual naturalness issues associated with having a shallow inflationary potential, we describe another issue for inflation, namely, unknown UV physics modifies the running of Standard Model (SM) parameters and thereby introduces uncertainty into the potential inflationary predictions. We illustrate this point using the minimal Higgs Inflationary scenario, which is arguably the most predictive single-field model on the market, because its predictions for A S , r and n s are made using only one new free parameter beyond those measured in particle physics experiments, and run up to the inflationary regime. We find that this issue can already have observable effects. At the same time, this UV-parameter dependence in the Renormalization Group allows Higgs Inflation to occur (in principle) for a slightly larger range of Higgs masses. We comment on the origin of the various UV scales that arise at large field values for the SM Higgs, clarifying cut off scale arguments by further developing the formalism of a non-linear realization of SU L (2) × U(1) in curved space. We discuss the interesting fact that, outside of Higgs Inflation, the effect of a non-minimal coupling to gravity, even in the SM, results in a non-linear EFT for the Higgs sector. Finally, we briefly comment on post BICEP2 attempts to modify the Higgs Inflation scenario.

High-order accurate finite-volume formulations for the pressure gradient force in layered ocean models

NASA Astrophysics Data System (ADS)

Engwirda, Darren; Kelley, Maxwell; Marshall, John

2017-08-01

Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates and/or terrain-following representations.

(113) Facets of Si-Ge/Si Islands; Atomic Scale Simulation

NASA Astrophysics Data System (ADS)

Kassem, Hassan

We have studied, by computer simulation, some static and vibrationnal proprieties of SiGe/Si islands. We have used a Valence Force Field combined to Monte Carlo technique to study the growth of Ge and SiGe on (001)Si substrates. We have focalised on the case of large pyramidal islands presenting (113) facets on the free (001)Si surface with various non uniform composition inside the islands. The deformation inside the islands and Raman spectroscopy are discussed.

Force Transmission Modes of Non-Cohesive and Cohesive Materials at the Critical State.

PubMed

Wang, Ji-Peng

2017-08-31

This paper investigates the force transmission modes, mainly described by probability density distributions, in non-cohesive dry and cohesive wet granular materials by discrete element modeling. The critical state force transmission patterns are focused on with the contact model effect being analyzed. By shearing relatively dense and loose dry specimens to the critical state in the conventional triaxial loading path, it is observed that there is a unique critical state force transmission mode. There is a universe critical state force distribution pattern for both the normal contact forces and tangential contact forces. Furthermore, it is found that using either the linear Hooke or the non-linear Hertz model does not affect the universe force transmission mode, and it is only related to the grain size distribution. Wet granular materials are also simulated by incorporating a water bridge model. Dense and loose wet granular materials are tested, and the critical state behavior for the wet material is also observed. The critical state strength and void ratio of wet granular materials are higher than those of a non-cohesive material. The critical state inter-particle distribution is altered from that of a non-cohesive material with higher probability in relatively weak forces. Grains in non-cohesive materials are under compressive stresses, and their principal directions are mainly in the axial loading direction. However, for cohesive wet granular materials, some particles are in tension, and the tensile stresses are in the horizontal direction on which the confinement is applied. The additional confinement by the tensile stress explains the macro strength and dilatancy increase in wet samples.

Force Transmission Modes of Non-Cohesive and Cohesive Materials at the Critical State

PubMed Central

2017-01-01

This paper investigates the force transmission modes, mainly described by probability density distributions, in non-cohesive dry and cohesive wet granular materials by discrete element modeling. The critical state force transmission patterns are focused on with the contact model effect being analyzed. By shearing relatively dense and loose dry specimens to the critical state in the conventional triaxial loading path, it is observed that there is a unique critical state force transmission mode. There is a universe critical state force distribution pattern for both the normal contact forces and tangential contact forces. Furthermore, it is found that using either the linear Hooke or the non-linear Hertz model does not affect the universe force transmission mode, and it is only related to the grain size distribution. Wet granular materials are also simulated by incorporating a water bridge model. Dense and loose wet granular materials are tested, and the critical state behavior for the wet material is also observed. The critical state strength and void ratio of wet granular materials are higher than those of a non-cohesive material. The critical state inter-particle distribution is altered from that of a non-cohesive material with higher probability in relatively weak forces. Grains in non-cohesive materials are under compressive stresses, and their principal directions are mainly in the axial loading direction. However, for cohesive wet granular materials, some particles are in tension, and the tensile stresses are in the horizontal direction on which the confinement is applied. The additional confinement by the tensile stress explains the macro strength and dilatancy increase in wet samples. PMID:28858238

CONSEQUENCES OF NON-LINEAR DENSITY EFFECTS ON BUOYANCY AND PLUME BEHAVIOR

EPA Science Inventory

Aquatic plumes, as turbulent streams, grow by entraining ambient water. Buoyant plumes rise and dense ones sink, but, non-linear kinetic effects can reverse the buoyant force in mid-phenomenon. The class of nascent-density plumes begin as buoyant, upwardly accelerating plumes tha...

Study on longitudinal force simulation of heavy-haul train

NASA Astrophysics Data System (ADS)

Chang, Chongyi; Guo, Gang; Wang, Junbiao; Ma, Yingming

2017-04-01

The longitudinal dynamics model of heavy-haul trains and air brake model used in the longitudinal train dynamics (LTDs) are established. The dry friction damping hysteretic characteristic of steel friction draft gears is simulated by the equation which describes the suspension forces in truck leaf springs. The model of draft gears introduces dynamic loading force, viscous friction of steel friction and the damping force. Consequently, the numerical model of the draft gears is brought forward. The equation of LTDs is strongly non-linear. In order to solve the response of the strongly non-linear system, the high-precision and equilibrium iteration method based on the Newmark-β method is presented and numerical analysis is made. Longitudinal dynamic forces of the 20,000 tonnes heavy-haul train are tested, and models and solution method provided are verified by the test results.

Projecting light beams with 3D waveguide arrays

NASA Astrophysics Data System (ADS)

Crespi, Andrea; Bragheri, Francesca

2017-01-01

Free-space light beams with complex intensity patterns, or non-trivial phase structure, are demanded in diverse fields, ranging from classical and quantum optical communications, to manipulation and imaging of microparticles and cells. Static or dynamic spatial light modulators, acting on the phase or intensity of an incoming light wave, are the conventional choices to produce beams with such non-trivial characteristics. However, interfacing these devices with optical fibers or integrated optical circuits often requires difficult alignment or cumbersome optical setups. Here we explore theoretically and with numerical simulations the potentialities of directly using the output of engineered three-dimensional waveguide arrays, illuminated with linearly polarized light, to project light beams with peculiar structures. We investigate through a collection of illustrative configurations the far field distribution, showing the possibility to achieve orbital angular momentum, or to produce elaborate intensity or phase patterns with several singularity points. We also simulate the propagation of the projected beam, showing the possibility to concentrate light. We note that these devices should be at reach of current technology, thus perspectives are open for the generation of complex free-space optical beams from integrated waveguide circuits.

Polymer-induced forces at interfaces

NASA Astrophysics Data System (ADS)

Rangarajan, Murali

This dissertation concerns studies of forces generated by confined and physisorbed flexible polymers using lattice mean-field theories, and those generated by confined and clamped semiflexible polymers modeled as slender elastic rods. Lattice mean-field theories have been used in understanding and predicting the behavior of polymeric interfacial systems. In order to efficiently tailor such systems for various applications of interest, one has to understand the forces generated in the interface due to the polymer molecules. The present work examines the abilities and limitations of lattice mean-field theories in predicting the structure of physisorbed polymer layers and the resultant forces. Within the lattice mean-field theory, a definition of normal force of compression as the negative derivative of the partition-function-based excess free energy with surface separation gives misleading results because the theory does not explicitly account for the normal stresses involved in the system. Correct expressions for normal and tangential forces are obtained from a continuum-mechanics-based formulation. Preliminary comparisons with lattice Monte Carlo simulations show that mean-field theories fail to predict significant attractive forces when the surfaces are undersaturated, as one would expect. The corrections to the excluded volume (non-reversal chains) and the mean-field (anisotropic field) approximations improve the predictions of layer structure, but not the forces. Bending of semiflexible polymer chains (elastic rods) is considered for two boundary conditions---where the chain is hinged on both ends and where the chain is clamped on one end and hinged on the other. For the former case, the compressive forces and chain shapes obtained are consistent with the inflexional elastica published by Love. For the latter, multiple and higher-order solutions are observed for the hinged-end position for a given force. Preliminary studies are conducted on actin-based motility of Listeria monocytogenes by treating actin filaments as elastic rods, using the actoclampin model. The results show qualitative agreement with calculations where the filaments are modeled as Hookean springs. The feasibility of the actoclampin model to address long length-scale rotation of Listeria during actin-based motility is addressed.

Evolution of the Active Region NOAA 12443 based on magnetic field extrapolations: preliminary results

NASA Astrophysics Data System (ADS)

Chicrala, André; Dallaqua, Renato Sergio; Antunes Vieira, Luis Eduardo; Dal Lago, Alisson; Rodríguez Gómez, Jenny Marcela; Palacios, Judith; Coelho Stekel, Tardelli Ronan; Rezende Costa, Joaquim Eduardo; da Silva Rockenbach, Marlos

2017-10-01

The behavior of Active Regions (ARs) is directly related to the occurrence of some remarkable phenomena in the Sun such as solar flares or coronal mass ejections (CME). In this sense, changes in the magnetic field of the region can be used to uncover other relevant features like the evolution of the ARs magnetic structure and the plasma flow related to it. In this work we describe the evolution of the magnetic structure of the active region AR NOAA12443 observed from 2015/10/30 to 2015/11/10, which may be associated with several X-ray flares of classes C and M. The analysis is based on observations of the solar surface and atmosphere provided by HMI and AIA instruments on board of the SDO spacecraft. In order to investigate the magnetic energy buildup and release of the ARs, we shall employ potential and linear force free extrapolations based on the solar surface magnetic field distribution and the photospheric velocity fields.

Embedding Circular Force-Free Flux Ropes in Potential Magnetic Fields

NASA Astrophysics Data System (ADS)

Titov, V. S.; Torok, T.; Mikic, Z.; Linker, J.

2013-12-01

We propose a method for constructing approximate force-free equilibria in active regions that locally have a potential bipolar-type magnetic field with a thin force-free flux rope embedded inside it. The flux rope has a circular-arc axis and circular cross-section in which the interior magnetic field is predominantly toroidal (axial). Its magnetic pressure is balanced outside by that of the poloidal (azimuthal) field created at the boundary by the electric current sheathing the flux rope. To facilitate the implementation of the method in our numerical magnetohydrodynamic (MHD) code, the entire solution is described in terms of the vector potential of the magnetic field. The parameters of the flux rope can be chosen so that a subsequent MHD relaxation of the constructed configuration under line-tied conditions at the boundary provides a numerically exact equilibrium. Such equilibria are an approximation for the magnetic configuration preceding solar eruptions, which can be triggered in our model by imposing suitable photospheric flows beneath the flux rope. The proposed method is a useful tool for constructing pre-eruption magnetic fields in data-driven simulations of solar active events. Research supported by NASA's Heliophysics Theory and LWS Programs, and NSF/SHINE and NSF/FESD.

Martini straight: Boosting performance using a shorter cutoff and GPUs

NASA Astrophysics Data System (ADS)

de Jong, Djurre H.; Baoukina, Svetlana; Ingólfsson, Helgi I.; Marrink, Siewert J.

2016-02-01

In molecular dynamics simulations, sufficient sampling is of key importance and a continuous challenge in the field. The coarse grain Martini force field has been widely used to enhance sampling. In its original implementation, this force field applied a shifted Lennard-Jones potential for the non-bonded van der Waals interactions, to avoid problems related to a relatively short cutoff. Here we investigate the use of a straight cutoff Lennard-Jones potential with potential modifiers. Together with a Verlet neighbor search algorithm, the modified potential allows the use of GPUs to accelerate the computations in Gromacs. We find that this alternative potential has little influence on most of the properties studied, including partitioning free energies, bulk liquid properties and bilayer properties. At the same time, energy conservation is kept within reasonable bounds. We conclude that the newly proposed straight cutoff approach is a viable alternative to the standard shifted potentials used in Martini, offering significant speedup even in the absence of GPUs.

Forced Gravity Waves and the Tropospheric Response to Convection

NASA Astrophysics Data System (ADS)

Halliday, O. J.; Griffiths, S. D.; Parker, D. J.; Stirling, A.

2017-12-01

It has been known for some time that gravity waves facilitate atmospheric adjustment to convective heating. Further, convectively forced gravity waves condition the neighboring atmosphere for the initiation and / or suppression of convection. Despite this, the radiation of gravity waves in macro-scale models (which are typically forced at the grid-scale, by existing parameterization schemes) is not well understood. We present here theoretical and numerical work directed toward improving our understanding of convectively forced gravity wave effects at the mesoscale. Using the linear hydrostatic equations of motion for an incompressible (but non-Boussinesq) fluid with vertically varying buoyancy frequency, we find a radiating solution to prescribed sensible heating. We then interrogate the spatial and temporal sensitivity of the vertical velocity and potential temperature response to different heating functions, considering the remote and near-field forced response both to steady and pulsed heating. We find that the meso-scale tropospheric response to convection is significantly dependent on the upward radiation characteristics of the gravity waves, which are in turn dependent upon the temporal and spatial structure of the source, and stratification of the domain. Moving from a trapped to upwardly-radiating solution there is a 50% reduction in tropospherically averaged vertical velocity, but significant perturbations persist for up to 4 hours in the far-field. We find the tropospheric adjustment to be sensitive to the horizontal length scale which characterizes the heating, observing a 20% reduction in vertical velocity when comparing the response from a 10 km to a 100 km heat source. We assess the implications for parameterization of convection in coarse-grained models in the light of these findings. We show that an idealized `full-physics' nonlinear simulation of deep convection in the UK Met Office Unified Model is qualitatively described by the linear solution: departures are quantified and explored.

Characterization of perpendicular STT-MRAM by spin torque ferromagnetic resonance

NASA Astrophysics Data System (ADS)

Sha, Chengcen; Yang, Liu; Lee, Han Kyu; Barsukov, Igor; Zhang, Jieyi; Krivorotov, Ilya

We describe a method for simple quantitative measurement of magnetic anisotropy and Gilbert damping of the MTJ free layer in individual perpendicular STT-MRAM devices by spin torque ferromagnetic resonance (ST-FMR) with magnetic field modulation. We first show the dependence of ST-FMR spectra of an STT-MRAM element on out-of-plane magnetic field. In these spectra, resonances arising from excitation of the quasi-uniform and higher order spin wave eigenmodes of the free layer as well as acoustic mode of the synthetic antiferromagnet (SAF) are clearly seen. The quasi-uniform mode frequency at zero field gives magnetic anisotropy field of the free layer. Then we show dependence of the quasi-uniform mode linewidth on frequency is linear over a range of frequencies but deviatesfrom linearity in the low and high frequency regimes. Comparison to ST-FMR spectrareveals that the high frequency line broadening is linked to the SAF mode softening near the SAF spin flop transition at 5 kG. In the low field regime, the SAF mode frequency approaches that of the quasi-uniform mode, and resonant coupling of the modes leads to the line broadening. A linear fit to the linewidth data outside of the high and low field regimes gives the Gilbert damping parameter of the free layer. This work was supported by the Samsung Global MRAM Innovation Program.

Stochastic inflation in phase space: is slow roll a stochastic attractor?

NASA Astrophysics Data System (ADS)

Grain, Julien; Vennin, Vincent

2017-05-01

An appealing feature of inflationary cosmology is the presence of a phase-space attractor, ``slow roll'', which washes out the dependence on initial field velocities. We investigate the robustness of this property under backreaction from quantum fluctuations using the stochastic inflation formalism in the phase-space approach. A Hamiltonian formulation of stochastic inflation is presented, where it is shown that the coarse-graining procedure—where wavelengths smaller than the Hubble radius are integrated out—preserves the canonical structure of free fields. This means that different sets of canonical variables give rise to the same probability distribution which clarifies the literature with respect to this issue. The role played by the quantum-to-classical transition is also analysed and is shown to constrain the coarse-graining scale. In the case of free fields, we find that quantum diffusion is aligned in phase space with the slow-roll direction. This implies that the classical slow-roll attractor is immune to stochastic effects and thus generalises to a stochastic attractor regardless of initial conditions, with a relaxation time at least as short as in the classical system. For non-test fields or for test fields with non-linear self interactions however, quantum diffusion and the classical slow-roll flow are misaligned. We derive a condition on the coarse-graining scale so that observational corrections from this misalignment are negligible at leading order in slow roll.

Different elution modes and field programming in gravitational field-flow fractionation. III. Field programming by flow-rate gradient generated by a programmable pump.

PubMed

Plocková, J; Chmelík, J

2001-05-25

Gravitational field-flow fractionation (GFFF) utilizes the Earth's gravitational field as an external force that causes the settlement of particles towards the channel accumulation wall. Hydrodynamic lift forces oppose this action by elevating particles away from the channel accumulation wall. These two counteracting forces enable modulation of the resulting force field acting on particles in GFFF. In this work, force-field programming based on modulating the magnitude of hydrodynamic lift forces was implemented via changes of flow-rate, which was accomplished by a programmable pump. Several flow-rate gradients (step gradients, linear gradients, parabolic, and combined gradients) were tested and evaluated as tools for optimization of the separation of a silica gel particle mixture. The influence of increasing amount of sample injected on the peak resolution under flow-rate gradient conditions was also investigated. This is the first time that flow-rate gradients have been implemented for programming of the resulting force field acting on particles in GFFF.

Layering of inertial confinement fusion targets in microgravity environments

NASA Astrophysics Data System (ADS)

Parks, P. B.; Fagaly, R. L.

1995-02-01

A critical concern in the fabrication of targets for inertial confinement fusion is ensuring that the hydrogenic (D2 or DT) fuel layer maintains spherical symmetry. Because of gravitationally induced sagging of the liquid prior to freezing, only relatively thin (less than 10 micrometers) layers of solid fuel can be produced by fast refreeze methods. One method to reduce the effective gravitational field environment is free-fall insertion into the target chamber. Another method to counterbalance the gravitational force is to use an applied magnetic field combined with a gradient field to induce a magnetic dipole force (F(sub m)) on the liquid fuel layer. For liquid deuterium, the required B dot product del(vector differential operator) B product to counterbalance the gravitational force (F(sub g)) is approximately 10 T(exp 2)/cm. In this paper, we examine the time-dependent dynamics of the liquid fuel layer in a reduced gravitational field environment. We employ an energy method which takes into account the sum of the free energy associated with the surface tension forces, net vertical force (F = F(sub m) - F(sub g) (in the case of magnetic field-assisted microgravity) or F(sub D) (the drag force in the case of free fall)), London-van der Waals forces, the kinetic energy of motion and viscous dissipation. By assuming that the motions are incompressible and irrotational, the volume integrals of the free energies over the deformed liquid fuel layer may be converted to surface integrals. With the surface expressed as the sum of Legendre polynomials, r(sub surface) = a + Sigma a(sub l)(t)P(sub l)(mu), the perturbed amplitude of the individual modes, a(sub l)(t) can be obtained. We show that the l = 1 vertical shift mode takes the longest to damp out, and may be problematic for free-fall insertion even for thin approximately 1 micrometer overfilled foam targets. For a given liquid fuel layer thickness delta, the equilibrium value of a(sub 1)/a (the concentricity of the inner fuel layer) is shown to be dependent on the net vertical force F and layer thickness, i.e., a(sub 1) approximately F delta(exp 5), but independent of the surface tension.

Parallels in Communication and Navigation Technology and Natural Phenomenon

NASA Technical Reports Server (NTRS)

Romanofsky, Robert

2017-01-01

The premise is more than art imitates life, or technology imitates nature it is a nascent step to see how we might be unwittingly inspired and influenced. An example that might immediately come to mind is a starling murmuration (a phenomenon called scale-free correlation) and Intels recent Coachella music festival drone performance. Superconductivity is a macroscopic manifestation of a quantum phenomenon - choreographed electrons (i.e. an electron murmuration) that enable astonishing devices. There is indeed an intimate connectedness between biology and electromagnetism. Our brains are complex neural circuits generating magnetic fields with a magnitude around 100 femtoTesla (roughly one billion times weaker than a typical magnet used to tack notes to a refrigerator door). Migratory birds navigate by orienteering with respect to the Earth's magnetic field. Electromagnetic field therapy is used in orthopedics to aid in bone repair. The electric eel generates a large electric field for self-defense. Sharks apparently detect extremely weak electric fields for finding prey. And so on. There are similarities between the way a field of wheat responds to a breeze and the natural restoring forces of a semiconductor crystal. And waves in a slowly moving river can lap backwards against a peninsular shoreline mimicking a diffraction effect. Getting back to the introductory sentence and mysterious links over cosmic distances, in August 2016, China launched the Quantum Experiments at Space Scale (QUESS) satellite. The technology is based on a non-linear crystal that produces pairs of entangled photons whose attributes apparently remain entwined regardless of how far apart they are separated. This paper will, no doubt superficially, attempt to enumerate and examine these types of connections and parallelisms.

Observations of the Growth of an Active Region Filament

NASA Astrophysics Data System (ADS)

Yang, Bo

2017-04-01

We present observations of the growth of an active region filament caused by magnetic interactions among the filament and its adjacent superpenumbral filament (SF) and dark thread-like structures (T). Multistep reconnections are identified during the whole growing process. Magnetic flux convergence and cancellation occurring at the positive footpoint region of the filament is the first step reconnection, which resulted in the filament bifurcating into two sets of intertwined threads. One set anchored in situ, while the other set moved toward and interacted with the SF and part of T. This indicates the second step reconnection, which gave rise to the disappearance of the SF and the formation of a long thread-like structure that connects the far ends of the filament and T. The long thread-like structure further interacted with the T and then separated into two parts, representing the third step reconnection. Finally, another similar long thread-like structure, which intertwined with the fixed filament threads, appeared. Hαobservations show that this twisted structure is a longer sinistral filament. Based on the observed photospheric vector magnetograms, we performed a non-linear force-free field extrapolation to reconstruct the magnetic fields above the photosphere and found that the coronal magnetic field lines associated with the filament consists of two twisted flux ropes winding around each other. These results suggest that magnetic interactions among filaments and their adjacent SFs and T could lead to the growth of the filaments, and the filament is probably supported in a flux rope.

Nanoscale hydrodynamics near solids

NASA Astrophysics Data System (ADS)

Camargo, Diego; de la Torre, J. A.; Duque-Zumajo, D.; Español, Pep; Delgado-Buscalioni, Rafael; Chejne, Farid

2018-02-01

Density Functional Theory (DFT) is a successful and well-established theory for the study of the structure of simple and complex fluids at equilibrium. The theory has been generalized to dynamical situations when the underlying dynamics is diffusive as in, for example, colloidal systems. However, there is no such a clear foundation for Dynamic DFT (DDFT) for the case of simple fluids in contact with solid walls. In this work, we derive DDFT for simple fluids by including not only the mass density field but also the momentum density field of the fluid. The standard projection operator method based on the Kawasaki-Gunton operator is used for deriving the equations for the average value of these fields. The solid is described as featureless under the assumption that all the internal degrees of freedom of the solid relax much faster than those of the fluid (solid elasticity is irrelevant). The fluid moves according to a set of non-local hydrodynamic equations that include explicitly the forces due to the solid. These forces are of two types, reversible forces emerging from the free energy density functional, and accounting for impenetrability of the solid, and irreversible forces that involve the velocity of both the fluid and the solid. These forces are localized in the vicinity of the solid surface. The resulting hydrodynamic equations should allow one to study dynamical regimes of simple fluids in contact with solid objects in isothermal situations.

Sensitivity-based virtual fields for the non-linear virtual fields method

NASA Astrophysics Data System (ADS)

Marek, Aleksander; Davis, Frances M.; Pierron, Fabrice

2017-09-01

The virtual fields method is an approach to inversely identify material parameters using full-field deformation data. In this manuscript, a new set of automatically-defined virtual fields for non-linear constitutive models has been proposed. These new sensitivity-based virtual fields reduce the influence of noise on the parameter identification. The sensitivity-based virtual fields were applied to a numerical example involving small strain plasticity; however, the general formulation derived for these virtual fields is applicable to any non-linear constitutive model. To quantify the improvement offered by these new virtual fields, they were compared with stiffness-based and manually defined virtual fields. The proposed sensitivity-based virtual fields were consistently able to identify plastic model parameters and outperform the stiffness-based and manually defined virtual fields when the data was corrupted by noise.

The stability properties of cylindrical force-free fields - Effect of an external potential field

NASA Technical Reports Server (NTRS)

Chiuderi, C.; Einaudi, G.; Ma, S. S.; Van Hoven, G.

1980-01-01

A large-scale potential field with an embedded smaller-scale force-free structure gradient x B equals alpha B is studied in cylindrical geometry. Cases in which alpha goes continuously from a constant value alpha 0 on the axis to zero at large r are considered. Such a choice of alpha (r) produces fields which are realistic (few field reversals) but not completely stable. The MHD-unstable wavenumber regime is found. Since the considered equilibrium field exhibits a certain amount of magnetic shear, resistive instabilities can arise. The growth rates of the tearing mode in the limited MHD-stable region of k space are calculated, showing time-scales much shorter than the resistive decay time.

Kinetic energy and angular momentum of free particles in the gyratonic pp-waves space-times

NASA Astrophysics Data System (ADS)

Maluf, J. W.; da Rocha-Neto, J. F.; Ulhoa, S. C.; Carneiro, F. L.

2018-06-01

Gyratonic pp-waves are exact solutions of Einstein’s equations that represent non-linear gravitational waves endowed with angular momentum. We consider gyratonic pp-waves that travel in the z direction and whose time dependence on the variable is given by Gaussians, so that the waves represent short bursts of gravitational radiation propagating in the z direction. We evaluate numerically the geodesics and velocities of free particles in the space-time of these waves, and find that after the passage of the waves both the kinetic energy and the angular momentum per unit mass of the particles are changed. Therefore there is a transfer of energy and angular momentum between the gravitational field and the free particles, so that the final values of the energy and angular momentum of the free particles may be smaller or larger in magnitude than the initial values.

Stochastic thermodynamics

NASA Astrophysics Data System (ADS)

Eichhorn, Ralf; Aurell, Erik

2014-04-01

'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response theory for small deviations from equilibrium, in which a general framework is constructed from the analysis of non-equilibrium states close to equilibrium. In a next step, Prigogine and others developed linear irreversible thermodynamics, which establishes relations between transport coefficients and entropy production on a phenomenological level in terms of thermodynamic forces and fluxes. However, beyond the realm of linear response no general theoretical results were available for quite a long time. This situation has changed drastically over the last 20 years with the development of stochastic thermodynamics, revealing that the range of validity of thermodynamic statements can indeed be extended deep into the non-equilibrium regime. Early developments in that direction trace back to the observations of symmetry relations between the probabilities for entropy production and entropy annihilation in non-equilibrium steady states [5-8] (nowadays categorized in the class of so-called detailed fluctuation theorems), and the derivations of the Bochkov-Kuzovlev [9, 10] and Jarzynski relations [11] (which are now classified as so-called integral fluctuation theorems). Apart from its fundamental theoretical interest, the developments in stochastic thermodynamics have experienced an additional boost from the recent experimental progress in fabricating, manipulating, controlling and observing systems on the micro- and nano-scale. These advances are not only of formidable use for probing and monitoring biological processes on the cellular, sub-cellular and molecular level, but even include the realization of a microscopic thermodynamic heat engine [12] or the experimental verification of Landauer's principle in a colloidal system [13]. The scientific program Stochastic Thermodynamics held between 4 and 15 March 2013, and hosted by The Nordic Institute for Theoretical Physics (Nordita), was attended by more than 50 scientists from the Nordic countries and elsewhere, amongst them many leading experts in the field. During the program, the most recent developments, open questions and new ideas in stochastic thermodynamics were presented and discussed. From the talks and debates, the notion of information in stochastic thermodynamics, the fundamental properties of entropy production (rate) in non-equilibrium, the efficiency of small thermodynamic machines and the characteristics of optimal protocols for the applied (cyclic) forces were crystallizing as main themes. Surprisingly, the long-studied adiabatic piston, its peculiarities and its relation to stochastic thermodynamics were also the subject of intense discussions. The comment on the Nordita program Stochastic Thermodynamics published in this issue of Physica Scripta exploits the Jarzynski relation for determining free energy differences in the adiabatic piston. This scientific program and the contribution presented here were made possible by the financial and administrative support of The Nordic Institute for Theoretical Physics.

How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations.

PubMed

Kaus, Joseph W; Harder, Edward; Lin, Teng; Abel, Robert; McCammon, J Andrew; Wang, Lingle

2015-06-09

Recent advances in improved force fields and sampling methods have made it possible for the accurate calculation of protein–ligand binding free energies. Alchemical free energy perturbation (FEP) using an explicit solvent model is one of the most rigorous methods to calculate relative binding free energies. However, for cases where there are high energy barriers separating the relevant conformations that are important for ligand binding, the calculated free energy may depend on the initial conformation used in the simulation due to the lack of complete sampling of all the important regions in phase space. This is particularly true for ligands with multiple possible binding modes separated by high energy barriers, making it difficult to sample all relevant binding modes even with modern enhanced sampling methods. In this paper, we apply a previously developed method that provides a corrected binding free energy for ligands with multiple binding modes by combining the free energy results from multiple alchemical FEP calculations starting from all enumerated poses, and the results are compared with Glide docking and MM-GBSA calculations. From these calculations, the dominant ligand binding mode can also be predicted. We apply this method to a series of ligands that bind to c-Jun N-terminal kinase-1 (JNK1) and obtain improved free energy results. The dominant ligand binding modes predicted by this method agree with the available crystallography, while both Glide docking and MM-GBSA calculations incorrectly predict the binding modes for some ligands. The method also helps separate the force field error from the ligand sampling error, such that deviations in the predicted binding free energy from the experimental values likely indicate possible inaccuracies in the force field. An error in the force field for a subset of the ligands studied was identified using this method, and improved free energy results were obtained by correcting the partial charges assigned to the ligands. This improved the root-mean-square error (RMSE) for the predicted binding free energy from 1.9 kcal/mol with the original partial charges to 1.3 kcal/mol with the corrected partial charges.

How To Deal with Multiple Binding Poses in Alchemical Relative Protein–Ligand Binding Free Energy Calculations

PubMed Central

2016-01-01

Recent advances in improved force fields and sampling methods have made it possible for the accurate calculation of protein–ligand binding free energies. Alchemical free energy perturbation (FEP) using an explicit solvent model is one of the most rigorous methods to calculate relative binding free energies. However, for cases where there are high energy barriers separating the relevant conformations that are important for ligand binding, the calculated free energy may depend on the initial conformation used in the simulation due to the lack of complete sampling of all the important regions in phase space. This is particularly true for ligands with multiple possible binding modes separated by high energy barriers, making it difficult to sample all relevant binding modes even with modern enhanced sampling methods. In this paper, we apply a previously developed method that provides a corrected binding free energy for ligands with multiple binding modes by combining the free energy results from multiple alchemical FEP calculations starting from all enumerated poses, and the results are compared with Glide docking and MM-GBSA calculations. From these calculations, the dominant ligand binding mode can also be predicted. We apply this method to a series of ligands that bind to c-Jun N-terminal kinase-1 (JNK1) and obtain improved free energy results. The dominant ligand binding modes predicted by this method agree with the available crystallography, while both Glide docking and MM-GBSA calculations incorrectly predict the binding modes for some ligands. The method also helps separate the force field error from the ligand sampling error, such that deviations in the predicted binding free energy from the experimental values likely indicate possible inaccuracies in the force field. An error in the force field for a subset of the ligands studied was identified using this method, and improved free energy results were obtained by correcting the partial charges assigned to the ligands. This improved the root-mean-square error (RMSE) for the predicted binding free energy from 1.9 kcal/mol with the original partial charges to 1.3 kcal/mol with the corrected partial charges. PMID:26085821

A "Stepping Stone" Approach for Obtaining Quantum Free Energies of Hydration.

PubMed

Sampson, Chris; Fox, Thomas; Tautermann, Christofer S; Woods, Christopher; Skylaris, Chris-Kriton

2015-06-11

We present a method which uses DFT (quantum, QM) calculations to improve free energies of binding computed with classical force fields (classical, MM). To overcome the incomplete overlap of configurational spaces between MM and QM, we use a hybrid Monte Carlo approach to generate quickly correct ensembles of structures of intermediate states between a MM and a QM/MM description, hence taking into account a great fraction of the electronic polarization of the quantum system, while being able to use thermodynamic integration to compute the free energy of transition between the MM and QM/MM. Then, we perform a final transition from QM/MM to full QM using a one-step free energy perturbation approach. By using QM/MM as a stepping stone toward the full QM description, we find very small convergence errors (<1 kJ/mol) in the transition to full QM. We apply this method to compute hydration free energies, and we obtain consistent improvements over the MM values for all molecules we used in this study. This approach requires large-scale DFT calculations as the full QM systems involved the ligands and all waters in their simulation cells, so the linear-scaling DFT code ONETEP was used for these calculations.

Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theory

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

Wang, Hao; Yang, Weitao, E-mail: weitao.yang@duke.edu; Department of Physics, Duke University, Durham, North Carolina 27708

We developed a new method to calculate the atomic polarizabilities by fitting to the electrostatic potentials (ESPs) obtained from quantum mechanical (QM) calculations within the linear response theory. This parallels the conventional approach of fitting atomic charges based on electrostatic potentials from the electron density. Our ESP fitting is combined with the induced dipole model under the perturbation of uniform external electric fields of all orientations. QM calculations for the linear response to the external electric fields are used as input, fully consistent with the induced dipole model, which itself is a linear response model. The orientation of the uniformmore » external electric fields is integrated in all directions. The integration of orientation and QM linear response calculations together makes the fitting results independent of the orientations and magnitudes of the uniform external electric fields applied. Another advantage of our method is that QM calculation is only needed once, in contrast to the conventional approach, where many QM calculations are needed for many different applied electric fields. The molecular polarizabilities obtained from our method show comparable accuracy with those from fitting directly to the experimental or theoretical molecular polarizabilities. Since ESP is directly fitted, atomic polarizabilities obtained from our method are expected to reproduce the electrostatic interactions better. Our method was used to calculate both transferable atomic polarizabilities for polarizable molecular mechanics’ force fields and nontransferable molecule-specific atomic polarizabilities.« less

Dynamic simulations of the inhomogeneous sedimentation of rigid fibres

NASA Astrophysics Data System (ADS)

Butler, Jason E.; Shaqfeh, Eric S. G.

2002-10-01

We have simulated the dynamics of suspensions of fibres sedimenting in the limit of zero Reynolds number. In these simulations, the dominant inter-particle force arises from hydrodynamic interactions between the rigid, non-Brownian fibres. The simulation algorithm uses slender-body theory to model the linear and rotational velocities of each fibre. To include far-field interactions between the fibres, the line distribution of force on each fibre is approximated by making a Legendre polynomial expansion of the disturbance velocity on the fibre, where only the first two terms of the expansion are retained in the calculation. Thus, the resulting linear force distribution can be specified completely by a centre-of-mass force, a couple, and a stresslet. Short-range interactions between particles are included using a lubrication approximation, and an infinite suspension is simulated by using periodic boundary conditions. Our numerical results confirm that the sedimentation of these non-spherical, orientable particles differs qualitatively from the sedimentation of spherical particles. The simulations demonstrate that an initially homogeneous, settling suspension develops clusters, or streamers, which are particle rich surrounded by clarified fluid. The instability which causes the heterogeneous structure arises solely from hydrodynamic interactions which couple the particle orientation and the sedimentation rate in particle clusters. Depending upon the concentration and aspect ratio, the formation of clusters of particles can enhance the sedimentation rate of the suspension to a value in excess of the maximum settling speed of an isolated particle. The suspension of fibres tends to orient with gravity during the sedimentation process. The average velocities and orientations, as well as their distributions, compare favourably with previous experimental measurements.

A non-linear study of fluctuating fluid flow on MHD mixed convection through a vertical permeable plate

NASA Astrophysics Data System (ADS)

Babu, R. Suresh; Rushi Kumar, B.

2017-11-01

In this paper, an analytical solution for an unsteady (independent of time), MHD mixed convection, two-dimensional (x and y), laminar, viscous flow of an incompressible fluid through a vertical permeable plate in a porous medium was developed with these assumptions:(i) the suction velocity (which is normal to the plate)and the free stream velocity both fluctuate with respect to time with a fixed mean; (ii) the wall temperature is constant;(iii) difference between the temperature of the plate and the free stream is moderately large due to the free convection currents. Based on the physical configuration of the model, the governing equations are derived and are non-dimensionalize using dimensionless parameters. The resultant nonlinear partial differential equations are solved using double regular perturbation technique analytically. The results are computed numerically to understand the behaviour of the fluid (i.e., effects of MHD, viscosity, body force etc.) for various non-dimensional parameters involving like Grashof number Gr, Prandtl number Pr, Hartmann number M, Eckert number E, the Viscous ratio λ and so on for velocity and temperature. These results are found to be in good agreement with known results available in the literature in the absence of few physical parameters. The numerical values of the above said flow is discussed through graphs on velocity and temperature.

Leader Challenge: What Would You Do?

ERIC Educational Resources Information Center

Miller, Chris; Self, Nate; Garven, Sena; Allen, Nate

2011-01-01

Given the complex environment in which the U.S. military operates, leaders at all levels must be prepared for a force that is more responsive to regional combatant commanders needs, better employs joint capabilities, facilitates force packaging and rapid deployment, and fights self contained units in non-linear, non-contiguous battle space. This…

Hierarchical atom type definitions and extensible all-atom force fields.

PubMed

Jin, Zhao; Yang, Chunwei; Cao, Fenglei; Li, Feng; Jing, Zhifeng; Chen, Long; Shen, Zhe; Xin, Liang; Tong, Sijia; Sun, Huai

2016-03-15

The extensibility of force field is a key to solve the missing parameter problem commonly found in force field applications. The extensibility of conventional force fields is traditionally managed in the parameterization procedure, which becomes impractical as the coverage of the force field increases above a threshold. A hierarchical atom-type definition (HAD) scheme is proposed to make extensible atom type definitions, which ensures that the force field developed based on the definitions are extensible. To demonstrate how HAD works and to prepare a foundation for future developments, two general force fields based on AMBER and DFF functional forms are parameterized for common organic molecules. The force field parameters are derived from the same set of quantum mechanical data and experimental liquid data using an automated parameterization tool, and validated by calculating molecular and liquid properties. The hydration free energies are calculated successfully by introducing a polarization scaling factor to the dispersion term between the solvent and solute molecules. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

In silico folding of a three helix protein and characterization of its free-energy landscape in an all-atom force field.

PubMed

Herges, T; Wenzel, W

2005-01-14

We report the reproducible first-principles folding of the 40 amino-acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy force field. Six of 20 simulations using an adapted basin-hopping method converged to better than 3 A backbone rms deviation to the experimental structure. Using over 60 000 low-energy conformations of this protein, we constructed a decoy tree that completely characterizes its folding funnel.

In Silico Folding of a Three Helix Protein and Characterization of Its Free-Energy Landscape in an All-Atom Force Field

NASA Astrophysics Data System (ADS)

Herges, T.; Wenzel, W.

2005-01-01

We report the reproducible first-principles folding of the 40 amino-acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy force field. Six of 20 simulations using an adapted basin-hopping method converged to better than 3Å backbone rms deviation to the experimental structure. Using over 60 000 low-energy conformations of this protein, we constructed a decoy tree that completely characterizes its folding funnel.

Dislocation dynamics and crystal plasticity in the phase-field crystal model

NASA Astrophysics Data System (ADS)

Skaugen, Audun; Angheluta, Luiza; Viñals, Jorge

2018-02-01

A phase-field model of a crystalline material is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase-field crystal free energy under weak distortion and show that it obeys the stress-strain relation of linear elasticity. We focus next on dislocations in a two-dimensional hexagonal lattice. They are composite topological defects in the weakly nonlinear amplitude equation expansion of the phase field, with topological charges given by the standard Burgers vector. This allows us to introduce a formal relation between the dislocation velocity and the evolution of the slowly varying amplitudes of the phase field. Standard dissipative dynamics of the phase-field crystal model is shown to determine the velocity of the dislocations. When the amplitude expansion is valid and under additional simplifications, we find that the dislocation velocity is determined by the Peach-Koehler force. As an application, we compute the defect velocity for a dislocation dipole in two setups, pure glide and pure climb, and compare it with the analytical predictions.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

NASA Astrophysics Data System (ADS)

Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L.; Buma, Wybren Jan; Lee, Timothy J.; Tielens, Alexander G. G. M.

2016-08-01

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2016-08-28

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

A simple theory of motor protein kinetics and energetics. II.

PubMed

Qian, H

2000-01-10

A three-state stochastic model of motor protein [Qian, Biophys. Chem. 67 (1997) pp. 263-267] is further developed to illustrate the relationship between the external load on an individual motor protein in aqueous solution with various ATP concentrations and its steady-state velocity. A wide variety of dynamic motor behavior are obtained from this simple model. For the particular case of free-load translocation being the most unfavorable step within the hydrolysis cycle, the load-velocity curve is quasi-linear, V/Vmax = (cF/Fmax-c)/(1-c), in contrast to the hyperbolic relationship proposed by A.V. Hill for macroscopic muscle. Significant deviation from the linearity is expected when the velocity is less than 10% of its maximal (free-load) value--a situation under which the processivity of motor diminishes and experimental observations are less certain. We then investigate the dependence of load-velocity curve on ATP (ADP) concentration. It is shown that the free load Vmax exhibits a Michaelis-Menten like behavior, and the isometric Fmax increases linearly with ln([ATP]/[ADP]). However, the quasi-linear region is independent of the ATP concentration, yielding an apparently ATP-independent maximal force below the true isometric force. Finally, the heat production as a function of ATP concentration and external load are calculated. In simple terms and solved with elementary algebra, the present model provides an integrated picture of biochemical kinetics and mechanical energetics of motor proteins.

A facilitated diffusion model constrained by the probability isotherm: a pedagogical exercise in intuitive non-equilibrium thermodynamics.

PubMed

Chapman, Brian

2017-06-01

This paper seeks to develop a more thermodynamically sound pedagogy for students of biological transport than is currently available from either of the competing schools of linear non-equilibrium thermodynamics (LNET) or Michaelis-Menten kinetics (MMK). To this end, a minimal model of facilitated diffusion was constructed comprising four reversible steps: cis- substrate binding, cis → trans bound enzyme shuttling, trans -substrate dissociation and trans → cis free enzyme shuttling. All model parameters were subject to the second law constraint of the probability isotherm, which determined the unidirectional and net rates for each step and for the overall reaction through the law of mass action. Rapid equilibration scenarios require sensitive 'tuning' of the thermodynamic binding parameters to the equilibrium substrate concentration. All non-equilibrium scenarios show sigmoidal force-flux relations, with only a minority of cases having their quasi -linear portions close to equilibrium. Few cases fulfil the expectations of MMK relating reaction rates to enzyme saturation. This new approach illuminates and extends the concept of rate-limiting steps by focusing on the free energy dissipation associated with each reaction step and thereby deducing its respective relative chemical impedance. The crucial importance of an enzyme's being thermodynamically 'tuned' to its particular task, dependent on the cis- and trans- substrate concentrations with which it deals, is consistent with the occurrence of numerous isoforms for enzymes that transport a given substrate in physiologically different circumstances. This approach to kinetic modelling, being aligned with neither MMK nor LNET, is best described as intuitive non-equilibrium thermodynamics, and is recommended as a useful adjunct to the design and interpretation of experiments in biotransport.

Eigenmode resonance in a two-layer stratification

NASA Astrophysics Data System (ADS)

Kanda, Isao; Linden, P. F.

2002-06-01

In this paper, we study the velocity field at the density interface of a two-layer stratification system when the flow is forced at the mid-depth of the lower layer by the source sink forcing method. It is known that, in a sufficiently strong linear stratification, the source sink forcing in certain configurations produces a single-vortex pattern which corresponds to the lowest eigenmode of the Helmholtz equation (Kanda & Linden 2001). Two types of forcing configuration are used for the two-layer experiments: one that leads to a steady single-vortex pattern in a linear stratification, and one that results in an unsteady irregular state. Strong single-vortex patterns appear intermittently for the former configurations despite the absence of stratification at the forcing height. When the single-vortex pattern occurs at the density interface, a similar flow field extends down to the forcing height. The behaviour is explained as the coupling of the resonant eigenmode at the interface with the horizontal component of the forcing jets. The results show that stratification can organise a flow, even though it is forced by an apparently random three-dimensional forcing.

An ultra-fast EOD-based force-clamp detects rapid biomechanical transitions

NASA Astrophysics Data System (ADS)

Woody, Michael S.; Capitanio, Marco; Ostap, E. Michael; Goldman, Yale E.

2017-08-01

We assembled an ultra-fast infrared optical trapping system to detect mechanical events that occur less than a millisecond after a ligand binds to its filamentous substrate, such as myosin undergoing its 5 - 10 nm working stroke after actin binding. The instrument is based on the concept of Capitanio et al.1, in which a polymer bead-actin-bead dumbbell is held in two force-clamped optical traps. A force applied by the traps causes the filament to move at a constant velocity as hydrodynamic drag balances the applied load. When the ligand binds, the filament motion stops within 100 μs as the total force from the optical traps is transferred to the attachment. Subsequent translations signal active motions, such as the magnitude and timing of the motor's working stroke. In our instrument, the beads defining the dumbbell are held in independent force clamps utilizing a field-programmable gate array (FPGA) to update the trap beam positions at 250 kHz. We found that in our setup, acousto-optical deflectors (AODs) steering the beams were unsuitable for this purpose due to a slightly non-linear response in the beam intensity and deflection angle vs. the AOD ultra-sound wavelength, likely caused by low-amplitude standing acoustic waves in the deflectors. These aberrations caused instability in the force feedback loops leading to artefactual 20 nm jumps in position. This type of AOD non-linearity has been reported to be absent in electro-optical deflectors (EODs)2. We demonstrate that replacement of the AODs with EODs improves the performance of our instrument. Combining the superior beam-steering capability of the EODs, force acquisition via back-plane interferometry, and the dual high-speed FPGA-based feedback loops, we smoothly and precisely apply constant loads to study the dynamics of interactions between biological molecules such as actin and myosin.

Force-Free Magnetic Fields Calculated from Automated Tracing of Coronal Loops with AIA/SDO

NASA Astrophysics Data System (ADS)

Aschwanden, M. J.

2013-12-01

One of the most realistic magnetic field models of the solar corona is a nonlinear force-free field (NLFFF) solution. There exist about a dozen numeric codes that compute NLFFF solutions based on extrapolations of photospheric vector magnetograph data. However, since the photosphere and lower chromosphere is not force-free, a suitable correction has to be applied to the lower boundary condition. Despite of such "pre-processing" corrections, the resulting theoretical magnetic field lines deviate substantially from observed coronal loop geometries. - Here we developed an alternative method that fits an analytical NLFFF approximation to the observed geometry of coronal loops. The 2D coordinates of the geometry of coronal loop structures observed with AIA/SDO are traced with the "Oriented Coronal CUrved Loop Tracing" (OCCULT-2) code, an automated pattern recognition algorithm that has demonstrated the fidelity in loop tracing matching visual perception. A potential magnetic field solution is then derived from a line-of-sight magnetogram observed with HMI/SDO, and an analytical NLFFF approximation is then forward-fitted to the twisted geometry of coronal loops. We demonstrate the performance of this magnetic field modeling method for a number of solar active regions, before and after major flares observed with SDO. The difference of the NLFFF and the potential field energies allows us then to compute the free magnetic energy, which is an upper limit of the energy that is released during a solar flare.

Conformational free energy of melts of ring-linear polymer blends.

PubMed

Subramanian, Gopinath; Shanbhag, Sachin

2009-10-01

The conformational free energy of ring polymers in a blend of ring and linear polymers is investigated using the bond-fluctuation model. Previously established scaling relationships for the free energy of a ring polymer are shown to be valid only in the mean-field sense, and alternative functional forms are investigated. It is shown that it may be difficult to accurately express the total free energy of a ring polymer by a simple scaling argument, or in closed form.

Army Fixed-Wing Ground Attack Aircraft: A Historical Precedent and Contemporary Rationale

DTIC Science & Technology

2015-06-12

platforms at the tactical level. Fielding such aircraft would free the Air Force to focus on its broader missions while enhancing the capabilities of...ground forces. In fact, an Army attack aircraft would reduce, but not eliminate, the requirement for USAF CAS, freeing the USAF to focus on its

Solving the aerodynamics of fungal flight: How air viscosity slows spore motion

PubMed Central

Fischer, Mark W. F.; Stolze-Rybczynski, Jessica L.; Davis, Diana J.; Cui, Yunluan; Money, Nicholas P.

2010-01-01

Viscous drag causes the rapid deceleration of fungal spores after high-speed launches and limits discharge distance. Stokes' law posits a linear relationship between drag force and velocity. It provides an excellent fit to experimental measurements of the terminal velocity of free-falling spores and other instances of low Reynolds number motion (Re<1). More complex, non-linear drag models have been devised for movements characterized by higher Re, but their effectiveness for modeling the launch of fast-moving fungal spores has not been tested. In this paper, we use data on spore discharge processes obtained from ultra-high-speed video recordings to evaluate the effects of air viscosity predicted by Stokes' law and a commonly used non-linear drag model. We find that discharge distances predicted from launch speeds by Stokes' model provide a much better match to measured distances than estimates from the more complex drag model. Stokes' model works better over a wide range projectile sizes, launch speeds, and discharge distances, from microscopic mushroom ballistospores discharged at <1 m/s over a distance of <0.1 mm (Re<1.0), to macroscopic sporangia of Pilobolus that are launched at >10 m/s and travel as far as 2.5 m (Re>100). PMID:21036338

Clustering of vertically constrained passive particles in homogeneous isotropic turbulence.

PubMed

De Pietro, Massimo; van Hinsberg, Michel A T; Biferale, Luca; Clercx, Herman J H; Perlekar, Prasad; Toschi, Federico

2015-05-01

We analyze the dynamics of small particles vertically confined, by means of a linear restoring force, to move within a horizontal fluid slab in a three-dimensional (3D) homogeneous isotropic turbulent velocity field. The model that we introduce and study is possibly the simplest description for the dynamics of small aquatic organisms that, due to swimming, active regulation of their buoyancy, or any other mechanism, maintain themselves in a shallow horizontal layer below the free surface of oceans or lakes. By varying the strength of the restoring force, we are able to control the thickness of the fluid slab in which the particles can move. This allows us to analyze the statistical features of the system over a wide range of conditions going from a fully 3D incompressible flow (corresponding to the case of no confinement) to the extremely confined case corresponding to a two-dimensional slice. The background 3D turbulent velocity field is evolved by means of fully resolved direct numerical simulations. Whenever some level of vertical confinement is present, the particle trajectories deviate from that of fluid tracers and the particles experience an effectively compressible velocity field. Here, we have quantified the compressibility, the preferential concentration of the particles, and the correlation dimension by changing the strength of the restoring force. The main result is that there exists a particular value of the force constant, corresponding to a mean slab depth approximately equal to a few times the Kolmogorov length scale η, that maximizes the clustering of the particles.

SOLDESIGN user's manual copyright

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

Pillsbury, R.D. Jr.

1991-02-01

SOLDESIGN is a general purpose program for calculating and plotting magnetic fields, Lorentz body forces, resistances and inductances for a system of coaxial uniform current density solenoidal elements. The program was originally written in 1980 and has been evolving ever since. SOLDESIGN can be used with either interactive (terminal) or file input. Output can be to the terminal or to a file. All input is free-field with comma or space separators. SOLDESIGN contains an interactive help feature that allows the user to examine documentation while executing the program. Input to the program consists of a sequence of word commands andmore » numeric data. Initially, the geometry of the elements or coils is defined by specifying either the coordinates of one corner of the coil or the coil centroid, a symmetry parameter to allow certain reflections of the coil (e.g., a split pair), the radial and axial builds, and either the overall current density or the total ampere-turns (NI). A more general quadrilateral element is also available. If inductances or resistances are desired, the number of turns must be specified. Field, force, and inductance calculations also require the number of radial current sheets (or integration points). Work is underway to extend the field, force, and, possibly, inductances to non-coaxial solenoidal elements.« less

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

PubMed Central

2016-01-01

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can be observed when looking at properties sensitive to framework vibrational modes. This observation is more pronounced upon the introduction of framework charges. PMID:28008758

Using observations of slipping velocities to test the hypothesis that reconnection heats the active region corona

NASA Astrophysics Data System (ADS)

Yang, Kai; Longcope, Dana; Guo, Yang; Ding, Mingde

2017-08-01

Numerous proposed coronal heating mechanisms have invoked magnetic reconnection in some role. Testing such a mechanism requires a method of measuring magnetic reconnection coupled with a prediction of the heat delivered by reconnection at the observed rate. In the absence of coronal reconnection, field line footpoints move at the same velocity as the plasma they find themselves in. The rate of coronal reconnection is therefore related to any discrepancy observed between footpoint motion and that of the local plasma — so-called slipping motion. We propose a novel method to measure this velocity discrepancy by combining a sequence of non-linear force-free field extrapolations with maps of photospheric velocity. We obtain both from a sequence of vector magnetograms of an active region (AR). We then propose a method of computing the coronal heating produced under the assumption the observed slipping velocity was due entirely to coronal reconnection. This heating rate is used to predict density and temperature at points along an equilibrium loop. This, in turn, is used to synthesize emission in EUV and SXR bands. We perform this analysis using a sequence of HMI vector magnetograms of a particular AR and compare synthesized images to observations of the same AR made by SDO. We also compare differential emission measure inferred from those observations to that of the modeled corona.

Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation

NASA Astrophysics Data System (ADS)

Autieri, E.; Sega, M.; Pederiva, F.; Guella, G.

2010-09-01

We present the results of a combined metadynamics-umbrella sampling investigation of the puckered conformers of pyranoses described using the GROMOS 45a4 force field. The free energy landscape of Cremer-Pople puckering coordinates has been calculated for the whole series of α and β aldohexoses, showing that the current force field parameters fail in reproducing proper puckering free energy differences between chair conformers. We suggest a modification to the GROMOS 45a4 parameter set which improves considerably the agreement of simulation results with theoretical and experimental estimates of puckering free energies. We also report on the experimental measurement of altrose conformer populations by means of NMR spectroscopy, which show good agreement with the predictions of current theoretical models.

Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions

PubMed Central

2015-01-01

We parametrize a linear-scaling quantum mechanical force field called mDC for the accurate reproduction of nonbonded interactions. We provide a new benchmark database of accurate ab initio interactions between sulfur-containing molecules. A variety of nonbond databases are used to compare the new mDC method with other semiempirical, molecular mechanical, ab initio, and combined semiempirical quantum mechanical/molecular mechanical methods. It is shown that the molecular mechanical force field significantly and consistently reproduces the benchmark results with greater accuracy than the semiempirical models and our mDC model produces errors twice as small as the molecular mechanical force field. The comparisons between the methods are extended to the docking of drug candidates to the Cyclin-Dependent Kinase 2 protein receptor. We correlate the protein–ligand binding energies to their experimental inhibition constants and find that the mDC produces the best correlation. Condensed phase simulation of mDC water is performed and shown to produce O–O radial distribution functions similar to TIP4P-EW. PMID:24803856

Origin and structures of solar eruptions II: Magnetic modeling

NASA Astrophysics Data System (ADS)

Guo, Yang; Cheng, Xin; Ding, MingDe

2017-07-01

The topology and dynamics of the three-dimensional magnetic field in the solar atmosphere govern various solar eruptive phenomena and activities, such as flares, coronal mass ejections, and filaments/prominences. We have to observe and model the vector magnetic field to understand the structures and physical mechanisms of these solar activities. Vector magnetic fields on the photosphere are routinely observed via the polarized light, and inferred with the inversion of Stokes profiles. To analyze these vector magnetic fields, we need first to remove the 180° ambiguity of the transverse components and correct the projection effect. Then, the vector magnetic field can be served as the boundary conditions for a force-free field modeling after a proper preprocessing. The photospheric velocity field can also be derived from a time sequence of vector magnetic fields. Three-dimensional magnetic field could be derived and studied with theoretical force-free field models, numerical nonlinear force-free field models, magnetohydrostatic models, and magnetohydrodynamic models. Magnetic energy can be computed with three-dimensional magnetic field models or a time series of vector magnetic field. The magnetic topology is analyzed by pinpointing the positions of magnetic null points, bald patches, and quasi-separatrix layers. As a well conserved physical quantity, magnetic helicity can be computed with various methods, such as the finite volume method, discrete flux tube method, and helicity flux integration method. This quantity serves as a promising parameter characterizing the activity level of solar active regions.

Depletion forces drive polymer-like self-assembly in vibrofluidized granular materials†

PubMed Central

Nossal, Ralph

2011-01-01

Ranging from nano- to granular-scales, control of particle assembly can be achieved by limiting the available free space, for example by increasing the concentration of particles (“crowding”) or through their restriction to 2D environments. It is unclear, however, if self-assembly principles governing thermally-equilibrated molecules can also apply to mechanically-excited macroscopic particles in non-equilibrium steady-state. Here we show that low densities of vibrofluidized steel rods, when crowded by high densities of spheres and confined to quasi-2D planes, can self-assemble into linear polymer-like structures. Our 2D Monte Carlo simulations show similar finite sized aggregates in thermally equilibrated binary mixtures. Using theory and simulations, we demonstrate how depletion interactions create oriented “binding” forces between rigid rods to form these “living polymers.” Unlike rod-sphere mixtures in 3D that can demonstrate well-defined equilibrium phases, our mixtures confined to 2D lack these transitions because lower dimensionality favors the formation of linear aggregates, thus suppressing a true phase transition. The qualitative and quantitative agreement between equilibrium and granular patterning for these mixtures suggests that entropy maximization is the determining driving force for bundling. Furthermore, this study uncovers a previously unknown patterning behavior at both the granular and nanoscales, and may provide insights into the role of crowding at interfaces in molecular assembly. PMID:22039392

Effect of mesoscale oceanic eddies on mid-latitude storm-tracks.

NASA Astrophysics Data System (ADS)

Foussard, Alexis; Lapeyre, Guillaume; Plougonven, Riwal

2017-04-01

Sharp sea surface temperature (SST) gradients associated with oceanic western boundary currents (WBC) exert an influence on the position and intensity of mid-latitude storm-tracks. This occurs through strong surface baroclinicity maintained by cross frontal SST gradient and deep vertical atmospheric motion due to convection on the warm flank of the WBC. However the additional role of mesoscale oceanic structures (30-300km) has not yet been explored although they have a non-negligible influence on surface heat fluxes. Using the Weather Research and Forecasting model, we investigate the potential role of these oceanic eddies in the case of an idealized atmospheric mid-latitude storm track forced by a mesoscale oceanic eddy field superposed with a large-scale SST gradient. Surface latent and sensible fluxes are shown to react with a non-linear response to the SST variations, providing additional heat and moisture supply at large scales. The atmospheric response is not restricted to the boundary layer but reaches the free troposphere, especially through increased water vapor vertical transport and latent heat release. This additional heating in presence of eddies is balanced by a shift of the storm-track and its poleward heat flux toward high latitudes, with amplitude depending on atmospheric configuration and eddies amplitude. We also explore how this displacement of perturbations changes the position and structure of the mid-latitude jet through eddy momentum fluxes.

Unfolded equations for current interactions of 4d massless fields as a free system in mixed dimensions

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

Gelfond, O. A., E-mail: gel@lpi.ru; Vasiliev, M. A., E-mail: vasiliev@lpi.ru

2015-03-15

Interactions of massless fields of all spins in four dimensions with currents of any spin are shown to result from a solution of the linear problem that describes a gluing between a rank-one (massless) system and a rank-two (current) system in the unfolded dynamics approach. Since the rank-two system is dual to a free rank-one higher-dimensional system that effectively describes conformal fields in six space-time dimensions, the constructed system can be interpreted as describing a mixture between linear conformal fields in four and six dimensions. An interpretation of the obtained results in the spirit of the AdS/CFT correspondence is discussed.

A novel single-phase flux-switching permanent magnet linear generator used for free-piston Stirling engine

NASA Astrophysics Data System (ADS)

Zheng, Ping; Sui, Yi; Tong, Chengde; Bai, Jingang; Yu, Bin; Lin, Fei

2014-05-01

This paper investigates a novel single-phase flux-switching permanent-magnet (PM) linear machine used for free-piston Stirling engines. The machine topology and operating principle are studied. A flux-switching PM linear machine is designed based on the quasi-sinusoidal speed characteristic of the resonant piston. Considering the performance of back electromotive force and thrust capability, some leading structural parameters, including the air gap length, the PM thickness, the ratio of the outer radius of mover to that of stator, the mover tooth width, the stator tooth width, etc., are optimized by finite element analysis. Compared with conventional three-phase moving-magnet linear machine, the proposed single-phase flux-switching topology shows advantages in less PM use, lighter mover, and higher volume power density.

Simulations of Dynamical Friction Including Spatially-Varying Magnetic Fields

NASA Astrophysics Data System (ADS)

Bell, G. I.; Bruhwiler, D. L.; Litvinenko, V. N.; Busby, R.; Abell, D. T.; Messmer, P.; Veitzer, S.; Cary, J. R.

2006-03-01

A proposed luminosity upgrade to the Relativistic Heavy Ion Collider (RHIC) includes a novel electron cooling section, which would use ˜55 MeV electrons to cool fully-ionized 100 GeV/nucleon gold ions. We consider the dynamical friction force exerted on individual ions due to a relevant electron distribution. The electrons may be focussed by a strong solenoid field, with sensitive dependence on errors, or by a wiggler field. In the rest frame of the relativistic co-propagating electron and ion beams, where the friction force can be simulated for nonrelativistic motion and electrostatic fields, the Lorentz transform of these spatially-varying magnetic fields includes strong, rapidly-varying electric fields. Previous friction force simulations for unmagnetized electrons or error-free solenoids used a 4th-order Hermite algorithm, which is not well-suited for the inclusion of strong, rapidly-varying external fields. We present here a new algorithm for friction force simulations, using an exact two-body collision model to accurately resolve close interactions between electron/ion pairs. This field-free binary-collision model is combined with a modified Boris push, using an operator-splitting approach, to include the effects of external fields. The algorithm has been implemented in the VORPAL code and successfully benchmarked.

Axisymmetric force-free magnetosphere in the exterior of a neutron star - II. Maximum storage and open field energies

NASA Astrophysics Data System (ADS)

Kojima, Yasufumi; Okamoto, Satoki

2018-04-01

A magnetar's magnetosphere gradually evolves by the injection of energy and helicity from the interior. Axisymmetric static solutions for a relativistic force-free magnetosphere with a power-law current model are numerically obtained. They provide information about the configurations in which the stored energy is large. The energy along a sequence of equilibria increases and becomes sufficient to open the magnetic field. A magnetic flux rope, in which a large amount of toroidal field is confined, is formed in the vicinity of the star, for states exceeding the open field energy. These states are energetically metastable, and the excess energy may be ejected as a magnetar outburst.

Comparing TCV experimental VDE responses with DINA code simulations

NASA Astrophysics Data System (ADS)

Favez, J.-Y.; Khayrutdinov, R. R.; Lister, J. B.; Lukash, V. E.

2002-02-01

The DINA free-boundary equilibrium simulation code has been implemented for TCV, including the full TCV feedback and diagnostic systems. First results showed good agreement with control coil perturbations and correctly reproduced certain non-linear features in the experimental measurements. The latest DINA code simulations, presented in this paper, exploit discharges with different cross-sectional shapes and different vertical instability growth rates which were subjected to controlled vertical displacement events (VDEs), extending previous work with the DINA code on the DIII-D tokamak. The height of the TCV vessel allows observation of the non-linear evolution of the VDE growth rate as regions of different vertical field decay index are crossed. The vertical movement of the plasma is found to be well modelled. For most experiments, DINA reproduces the S-shape of the vertical displacement in TCV with excellent precision. This behaviour cannot be modelled using linear time-independent models because of the predominant exponential shape due to the unstable pole of any linear time-independent model. The other most common equilibrium parameters like the plasma current Ip, the elongation κ, the triangularity δ, the safety factor q, the ratio between the averaged plasma kinetic pressure and the pressure of the poloidal magnetic field at the edge of the plasma βp, and the internal self inductance li also show acceptable agreement. The evolution of the growth rate γ is estimated and compared with the evolution of the closed-loop growth rate calculated with the RZIP linear model, confirming the origin of the observed behaviour.

Theoretical and experimental studies in support of the geophysical fluid flow experiment

NASA Technical Reports Server (NTRS)

Hart, J.; Toomre, J.

1985-01-01

Meteorologists and astrophysicists interested in large scale planetary and solar circulations have come to recognize the importance of rotation and stratification in determining the character of these flows. In particular, the effect of latitude-dependent Coriolis force on nonlinear convection is thought to play a crucial role in such phenomena as differential rotation on the Sun, cloud band orientation on Jupiter, and the generation of magnetic fields in thermally driven dynamos. The continuous low-gravity environment of the orbiting space shuttle offers a unique opportunity to make laboratory studies of such large-scale thermally driven flows under the constraint imposed by rotation and sphericity. This is possible because polarization forces in a dielectric liquid, which are linearly dependent on fluid temperature, give rise to an effectively radial buoyancy force when a radial electrostatic field is imposed. The Geophysical Fluid Flow Cell (GFFC) is an implementation of this ideal in which fluid is contained between two rotating hemispheres that are differentially heated and stressed with a large a-c voltage. The experiment, to be flown on Spacelab III (currently set for launch April 29, 1985), will explore non-linear mode selection and high Rayleigh number turbulence in a rotating convecting spherical shell of liquid. Experiments will be carried out in a low driving parameter range where some limited numerical experimentation is currently feasible, as well as in a parameter range significantly beyond numerical computation for many years.

Frictional contact behaviour of the tyre: the effect of tread slip on the in-plane structural deformation and stress field development

NASA Astrophysics Data System (ADS)

Tsotras, Achillefs; Mavros, George

2010-08-01

The analysis of the in-plane deformation of the tyre in relation to the frictional contact between the road and the tread is a crucial first step in the understanding of its contribution to the longitudinal dynamics of a vehicle. In this work, the physical mechanism of the generation of the two-dimensional contact pressure distribution for a non-rolling tyre is studied. Towards this aim, a physical tyre model is constructed, consisting of an analytical ring under pretension, a non-linear sidewall foundation, and a discretised foundation of viscoelastic elements representing the tread. Tread behaviour is examined first, with focus on the development of shear micro-slip. The tread simulation is enhanced with the combination of radial and tangential tread elements and the benefits of such an approach are identified. Subsequently, the contact of the complete model is examined by implementing an algorithm for transient simulations in the time domain. The effects of the imposed vertical load and sidewall non-linearity on the contact stress and strain fields are identified. The modelling approach is validated by comparison with published experimental results. The physical mechanism that couples the torsional and horizontal/vertical deformations of the carcass with the frictional forces at the tread is identified and discussed in detail. The proposed modelling approach is found appropriate for the description of the development of the two-dimensional contact pressure field as a function of the frictional potential of the contact.

Electronic transport in low dimensions: Carbon nanotubes and mesoscopic silver wires

NASA Astrophysics Data System (ADS)

Ghanem, Tarek Khairy

This thesis explores the physics of low-dimensional electronic conductors using two materials systems, carbon nanotubes (CNTs) and lithographically-defined silver nanowires. In order to understand the intrinsic electronic properties of CNTs, it is important to eliminate the contact effects from the measurements. Here, this is accomplished by using a conductive-tip atomic force microscope cantilever as a local electrode in order to obtain length dependent transport properties. The CNT-movable electrode contact is fully characterized, and is largely independent of voltage bias conditions, and independent of the contact force beyond a certain threshold. The contact is affected by the fine positioning of the cantilever relative to the CNT due to parasitic lateral motion of the cantilever during the loading cycle, which, if not controlled, can lead to non-monotonic behavior of contact resistance vs. force. Length dependent transport measurements are reported for several metallic and semiconducting CNTs. The resistance versus length R(L) of semiconducting CNTs is linear in the on state. For the depleted state R(L) is linear for long channel lengths, but non-linear for short channel lengths due to the long depletion lengths in one-dimensional semiconductors. Transport remains diffusive under all depletion conditions, due to both low disorder and high temperature. The study of quantum corrections to classical conductivity in mesoscopic conductors is an essential tool for understanding phase coherence in these systems. A long standing discrepancy between theory and experiment regards the phase coherence time, which is expected theoretically to grow as a power law at low temperatures, but is experimentally found to saturate. The origins of this saturation have been debated for the last decade, with the main contenders being intrinsic decoherence by zero-point fluctuations of the electrons, and decoherence by dilute magnetic impurities. Here, the phase coherence time in quasi-one-dimensional silver wires is measured. The phase coherence times obtained from the weak localization correction to the conductivity at low magnetic field show saturation, while those obtained from universal conductance fluctuations at high field do not. This indicates that, for these samples, the origin of phase coherence time saturation obtained from weak localization is extrinsic, due to the presence of dilute magnetic impurities.

Small vibrations of a linearly elastic body surrounded by heavy, incompressible, non-Newtonian fluids with free surfaces

NASA Astrophysics Data System (ADS)

Licht, Christian; Tran Thu Ha

2005-02-01

We consider the small transient motions of a coupled system constituted by a linearly elastic body and two heavy, incompressible, non-Newtonian fluids.Through a formulation in terms of non-linear evolution equations in Hilbert spaces of possible states with finite mechanical energy, we obtain existence and uniqueness results and study the influence of gravity. To cite this article: C. Licht, Tran Thu Ha, C. R. Mecanique 333 (2005).

In situ magnetic compensation for potassium spin-exchange relaxation-free magnetometer considering probe beam pumping effect

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

Fang, Jiancheng; Wang, Tao, E-mail: wangtaowt@aspe.buaa.edu.cn; Quan, Wei

2014-06-15

A novel method to compensate the residual magnetic field for an atomic magnetometer consisting of two perpendicular beams of polarizations was demonstrated in this paper. The method can realize magnetic compensation in the case where the pumping rate of the probe beam cannot be ignored. In the experiment, the probe beam is always linearly polarized, whereas, the probe beam contains a residual circular component due to the imperfection of the polarizer, which leads to the pumping effect of the probe beam. A simulation of the probe beam's optical rotation and pumping rate was demonstrated. At the optimized points, the wavelengthmore » of the probe beam was optimized to achieve the largest optical rotation. Although, there is a small circular component in the linearly polarized probe beam, the pumping rate of the probe beam was non-negligible at the optimized wavelength which if ignored would lead to inaccuracies in the magnetic field compensation. Therefore, the dynamic equation of spin evolution was solved by considering the pumping effect of the probe beam. Based on the quasi-static solution, a novel magnetic compensation method was proposed, which contains two main steps: (1) the non-pumping compensation and (2) the sequence compensation with a very specific sequence. After these two main steps, a three-axis in situ magnetic compensation was achieved. The compensation method was suitable to design closed-loop spin-exchange relaxation-free magnetometer. By a combination of the magnetic compensation and the optimization, the magnetic field sensitivity was approximately 4 fT/Hz{sup 1/2}, which was mainly dominated by the noise of the magnetic shield.« less

Fitting aerodynamic forces in the Laplace domain: An application of a nonlinear nongradient technique to multilevel constrained optimization

NASA Technical Reports Server (NTRS)

Tiffany, S. H.; Adams, W. M., Jr.

1984-01-01

A technique which employs both linear and nonlinear methods in a multilevel optimization structure to best approximate generalized unsteady aerodynamic forces for arbitrary motion is described. Optimum selection of free parameters is made in a rational function approximation of the aerodynamic forces in the Laplace domain such that a best fit is obtained, in a least squares sense, to tabular data for purely oscillatory motion. The multilevel structure and the corresponding formulation of the objective models are presented which separate the reduction of the fit error into linear and nonlinear problems, thus enabling the use of linear methods where practical. Certain equality and inequality constraints that may be imposed are identified; a brief description of the nongradient, nonlinear optimizer which is used is given; and results which illustrate application of the method are presented.

A quantum model of option pricing: When Black-Scholes meets Schrödinger and its semi-classical limit

NASA Astrophysics Data System (ADS)

Contreras, Mauricio; Pellicer, Rely; Villena, Marcelo; Ruiz, Aaron

2010-12-01

The Black-Scholes equation can be interpreted from the point of view of quantum mechanics, as the imaginary time Schrödinger equation of a free particle. When deviations of this state of equilibrium are considered, as a product of some market imperfection, such as: Transaction cost, asymmetric information issues, short-term volatility, extreme discontinuities, or serial correlations; the classical non-arbitrage assumption of the Black-Scholes model is violated, implying a non-risk-free portfolio. From Haven (2002) [1] we know that an arbitrage environment is a necessary condition to embedding the Black-Scholes option pricing model in a more general quantum physics setting. The aim of this paper is to propose a new Black-Scholes-Schrödinger model based on the endogenous arbitrage option pricing formulation introduced by Contreras et al. (2010) [2]. Hence, we derive a more general quantum model of option pricing, that incorporates arbitrage as an external time dependent force, which has an associated potential related to the random dynamic of the underlying asset price. This new resultant model can be interpreted as a Schrödinger equation in imaginary time for a particle of mass 1/σ2 with a wave function in an external field force generated by the arbitrage potential. As pointed out above, this new model can be seen as a more general formulation, where the perfect market equilibrium state postulated by the Black-Scholes model represent a particular case. Finally, since the Schrödinger equation is in place, we can apply semiclassical methods, of common use in theoretical physics, to find an approximate analytical solution of the Black-Scholes equation in the presence of market imperfections, as it is the case of an arbitrage bubble. Here, as a numerical illustration of the potential of this Schrödinger equation analogy, the semiclassical approximation is performed for different arbitrage bubble forms (step, linear and parabolic) and compare with the exact solution of our general quantum model of option pricing.

Modal forced vibration analysis of aerodynamically excited turbosystems

NASA Technical Reports Server (NTRS)

Elchuri, V.

1985-01-01

Theoretical aspects of a new capability to determine the vibratory response of turbosystems subjected to aerodynamic excitation are presented. Turbosystems such as advanced turbopropellers with highly swept blades, and axial-flow compressors and turbines can be analyzed using this capability. The capability has been developed and implemented in the April 1984 release of the general purpose finite element program NASTRAN. The dynamic response problem is addressed in terms of the normal modal coordinates of these tuned rotating cyclic structures. Both rigid and flexible hubs/disks are considered. Coriolis and centripetal accelerations, as well as differential stiffness effects are included. Generally non-uniform steady inflow fields and uniform flow fields arbitrarily inclined at small angles with respect to the axis of rotation of the turbosystem are considered sources of aerodynamic excitation. The spatial non-uniformities are considered to be small deviations from a principally uniform inflow. Subsonic and supersonic relative inflows are addressed, with provision for linearly interpolating transonic airloads.

Non-linear modelling and control of semi-active suspensions with variable damping

NASA Astrophysics Data System (ADS)

Chen, Huang; Long, Chen; Yuan, Chao-Chun; Jiang, Hao-Bin

2013-10-01

Electro-hydraulic dampers can provide variable damping force that is modulated by varying the command current; furthermore, they offer advantages such as lower power, rapid response, lower cost, and simple hardware. However, accurate characterisation of non-linear f-v properties in pre-yield and force saturation in post-yield is still required. Meanwhile, traditional linear or quarter vehicle models contain various non-linearities. The development of a multi-body dynamics model is very complex, and therefore, SIMPACK was used with suitable improvements for model development and numerical simulations. A semi-active suspension was built based on a belief-desire-intention (BDI)-agent model framework. Vehicle handling dynamics were analysed, and a co-simulation analysis was conducted in SIMPACK and MATLAB to evaluate the BDI-agent controller. The design effectively improved ride comfort, handling stability, and driving safety. A rapid control prototype was built based on dSPACE to conduct a real vehicle test. The test and simulation results were consistent, which verified the simulation.

The hydrodynamics of swimming at intermediate Reynolds numbers in the water boatman (Corixidae).

PubMed

Ngo, Victoria; McHenry, Matthew James

2014-08-01

The fluid forces that govern propulsion determine the speed and energetic cost of swimming. These hydrodynamics are scale dependent and it is unclear what forces matter to the tremendous diversity of aquatic animals that are between a millimeter and a centimeter in length. Animals at this scale generally operate within the regime of intermediate Reynolds numbers, where both viscous and inertial fluid forces have the potential to play a role in propulsion. The present study aimed to resolve which forces create thrust and drag in the paddling of the water boatman (Corixidae), an animal that spans much of the intermediate regime (10

Quantification of the dielectric constant of single non-spherical nanoparticles from polarization forces: eccentricity effects.

PubMed

Gomila, G; Esteban-Ferrer, D; Fumagalli, L

2013-12-20

We analyze by means of finite-element numerical calculations the polarization force between a sharp conducting tip and a non-spherical uncharged dielectric nanoparticle with the objective of quantifying its dielectric constant from electrostatic force microscopy (EFM) measurements. We show that for an oblate spheroid nanoparticle of given height the strength of the polarization force acting on the tip depends linearly on the eccentricity, e, of the nanoparticle in the small eccentricity and low dielectric constant regimes (1 < e < 2 and 1 < ε(r) < 10), while for higher eccentricities (e > 2) the dependence is sub-linear and finally becomes independent of e for very large eccentricities (e > 30). These results imply that a precise account of the nanoparticle shape is required to quantify EFM data and obtain the dielectric constants of non-spherical dielectric nanoparticles. Experimental results obtained on polystyrene, silicon dioxide and aluminum oxide nanoparticles and on single viruses are used to illustrate the main findings.

Assessing the utility of frequency dependent nudging for reducing biases in biogeochemical models

NASA Astrophysics Data System (ADS)

Lagman, Karl B.; Fennel, Katja; Thompson, Keith R.; Bianucci, Laura

2014-09-01

Bias errors, resulting from inaccurate boundary and forcing conditions, incorrect model parameterization, etc. are a common problem in environmental models including biogeochemical ocean models. While it is important to correct bias errors wherever possible, it is unlikely that any environmental model will ever be entirely free of such errors. Hence, methods for bias reduction are necessary. A widely used technique for online bias reduction is nudging, where simulated fields are continuously forced toward observations or a climatology. Nudging is robust and easy to implement, but suppresses high-frequency variability and introduces artificial phase shifts. As a solution to this problem Thompson et al. (2006) introduced frequency dependent nudging where nudging occurs only in prescribed frequency bands, typically centered on the mean and the annual cycle. They showed this method to be effective for eddy resolving ocean circulation models. Here we add a stability term to the previous form of frequency dependent nudging which makes the method more robust for non-linear biological models. Then we assess the utility of frequency dependent nudging for biological models by first applying the method to a simple predator-prey model and then to a 1D ocean biogeochemical model. In both cases we only nudge in two frequency bands centered on the mean and the annual cycle, and then assess how well the variability in higher frequency bands is recovered. We evaluate the effectiveness of frequency dependent nudging in comparison to conventional nudging and find significant improvements with the former.

Magnetic field power density spectra during 'scatter-free' solar particle events

NASA Technical Reports Server (NTRS)

Tan, L. C.; Mason, G. M.

1993-01-01

We have examined interplanetary magnetic field power spectral density during four previously identified 3He-rich flare periods when the about 1 MeV nucleon-1 particles exhibited nearly scatter-free transport from the sun to 1 AU. Since the scattering mean free path A was large, it might be expected that interplanetary turbulence was low, yet the spectral density value was low only for one of the four periods. For the other three, however, the spectral index q of the power density spectrum was near 2.0, a value at which quasi-linear theories predict an increase in the scattering mean free path. Comparing the lambda values from the energetic particles with that computed from a recent quasi-linear theory which includes helicity and the propagation direction of waves, we find lambda(QLT)/lambda(SEP) = 0.08 +/- 0.03 for the four events. Thus, the theory fits the q-dependence of lambda; however, as found for previous quasi-linear theories, the absolute value is low.

Drive Control of an Electric Vehicle by a Non-linear Controller

NASA Astrophysics Data System (ADS)

Mubin, Marizan; Ouchi, Shigeto; Anabuki, Masatoshi; Hirata, Hiroshi

The driving force of automobiles is transmitted by the frictional force between the tires and the road surface. This frictional force is a function of the weight of the car-body and the friction coefficient μ between the tires and the road surface. The friction coefficient μ is also a function of the following parameters: the slip ratio λ determined by the car-body speed and the wheel speed, and the condition of the road surface. Slippage of automobiles which causes much damage often occurs during accelerating and braking. In this paper, we propose a new drive control system which has an effect on acceleration and braking. In the drive control system, a non-linear controller designed by using a Lyapunov function is used. This non-linear controller has two functions: first one is μ control which moves the car-body, another one is λ control. The controller is designed in order that μ and λ work at noslip and with slip respectively. As another controller, a disturbance observer is used for estimating the car-body speed which is difficult to be measured. Then, this lead to the proof of the stability condition of the combined system which consists of two controllers: the non-linear controller and the disturbance observer. Finally, the effectiveness of this control system is proved by a very satisfactory simulation and experimental results for two cases.

Predictions of the physicochemical properties of amino acid side chain analogs using molecular simulation.

PubMed

Ahmed, Alauddin; Sandler, Stanley I

2016-03-07

A candidate drug compound is released for clinical trails (in vivo activity) only if its physicochemical properties meet desirable bioavailability and partitioning criteria. Amino acid side chain analogs play vital role in the functionalities of protein and peptides and as such are important in drug discovery. We demonstrate here that the predictions of solvation free energies in water, in 1-octanol, and self-solvation free energies computed using force field-based expanded ensemble molecular dynamics simulation provide good accuracy compared to existing empirical and semi-empirical methods. These solvation free energies are then, as shown here, used for the prediction of a wide range of physicochemical properties important in the assessment of bioavailability and partitioning of compounds. In particular, we consider here the vapor pressure, the solubility in both water and 1-octanol, and the air-water, air-octanol, and octanol-water partition coefficients of amino acid side chain analogs computed from the solvation free energies. The calculated solvation free energies using different force fields are compared against each other and with available experimental data. The protocol here can also be used for a newly designed drug and other molecules where force field parameters and charges are obtained from density functional theory.

Every Mass or Mass Group When Created Will have No Motion, Linear, Rotational or Vibratory Motion, Singly or in Some Combination, Which May Be Later Modified by External Forces--A Natural Law

NASA Astrophysics Data System (ADS)

Brekke, Stewart

2010-03-01

Every mass or mass group, from atoms and molecules to stars and galaxies,has no motion, is vibrating, rotating,or moving linearly, singularly or in some combination. When created, the excess energy of creation will generate a vibration, rotation and/or linear motion besides the mass or mass group. Curvilinear or orbital motion is linear motion in an external force field. External forces, such as photon, molecular or stellar collisions may over time modify the inital rotational, vibratory or linear motions of the mass of mass group. The energy equation for each mass or mass group is E=mc^2 + 1/2mv^2 + 1/2I2̂+ 1/2kx0^2 + WG+ WE+ WM.

A non-linear theory of the parallel firehose and gyrothermal instabilities in a weakly collisional plasma

NASA Astrophysics Data System (ADS)

Rosin, M. S.; Schekochihin, A. A.; Rincon, F.; Cowley, S. C.

2011-05-01

Weakly collisional magnetized cosmic plasmas have a dynamical tendency to develop pressure anisotropies with respect to the local direction of the magnetic field. These anisotropies trigger plasma instabilities at scales just above the ion Larmor radius ρi and much below the mean free path λmfp. They have growth rates of a fraction of the ion cyclotron frequency, which is much faster than either the global dynamics or even local turbulence. Despite their microscopic nature, these instabilities dramatically modify the transport properties and, therefore, the macroscopic dynamics of the plasma. The non-linear evolution of these instabilities is expected to drive pressure anisotropies towards marginal stability values, controlled by the plasma beta βi. Here this non-linear evolution is worked out in an ab initio kinetic calculation for the simplest analytically tractable example - the parallel (k⊥= 0) firehose instability in a high-beta plasma. An asymptotic theory is constructed, based on a particular physical ordering and leading to a closed non-linear equation for the firehose turbulence. In the non-linear regime, both the analytical theory and the numerical solution predict secular (∝t) growth of magnetic fluctuations. The fluctuations develop a k-3∥ spectrum, extending from scales somewhat larger than ρi to the maximum scale that grows secularly with time (∝t1/2); the relative pressure anisotropy (p⊥-p∥)/p∥ tends to the marginal value -2/βi. The marginal state is achieved via changes in the magnetic field, not particle scattering. When a parallel ion heat flux is present, the parallel firehose mutates into the new gyrothermal instability (GTI), which continues to exist up to firehose-stable values of pressure anisotropy, which can be positive and are limited by the magnitude of the ion heat flux. The non-linear evolution of the GTI also features secular growth of magnetic fluctuations, but the fluctuation spectrum is eventually dominated by modes around a maximal scale ˜ρilT/λmfp, where lT is the scale of the parallel temperature variation. Implications for momentum and heat transport are speculated about. This study is motivated by our interest in the dynamics of galaxy cluster plasmas (which are used as the main astrophysical example), but its relevance to solar wind and accretion flow plasmas is also briefly discussed.

Fields and Plasma Structures Around ``Shining'' Black Holes: Solitary Rings and Tri-dimensional Topologies

NASA Astrophysics Data System (ADS)

Coppi, B.

2012-03-01

Field and plasma configurations that can be the distinguishing feature of and surround ``shining'' black holes have been identified. Considering the observation of the Quasi Periodic Oscillations that can be associated with inhomogeneous rotating plasmas, tri-dimensional rotating configurations have been looked for and found under special conditions. One is that these configurations are radially localized, such as narrow plasma ring pairs. Another is that the rotation frequency is nearly constant over the rings. Only axisymmetric local configurations consisting of solitary plasma rings or periodic sequences of rings are found when the gradient of the rotation frequency is (locally) significant. Assuming that the plasma pressure is scalar the problem is reduced to the solution of two coupled non-linear differential equations. One, the ``Master Equation'' [1], relates the magnetic surface function to the plasma rotation frequency that is connected to the gravity field. The other, the Vertical Equilibrium Equation, relates the plasma pressure gradient to both the Lorentz force and to the plasma density profile through the gravitational force.[4pt] [1] B. Coppi, Phys. Plasmas 18, 032901 (2011).

Interfacial friction and adhesion of cross-linked polymer thin films swollen with linear chains.

PubMed

Zhang, Qing; Archer, Lynden A

2007-07-03

The preparation and interfacial properties of a new type of tethered, thin-film lubricant coating are presented. These coatings are composed of three components: a dense self-assembled monolayer (SAM) underlayer that presents reactive vinyl groups at its surface; a cross-linked polydimethylsiloxane (PDMS) overlayer that is covalently tethered to the SAM; and free, mobile linear PDMS chains dispersed in the network. We investigate the influence of the molecular weight (Ms) and concentration of the free PDMS chains on the structure and equilibrium swelling properties of the cross-linked films. Using a bead-probe lateral force microscopy measurement technique, we also quantify the interfacial friction and adhesion characteristics of surfaces functionalized with these coatings. We find that both the volume fraction and the molecular weight of free PDMS molecules in the coatings influence their interfacial friction and adhesion properties. For example, the addition of short PDMS chains in dry, cross-linked PDMS thin films yields tethered surface coatings with ultralow friction coefficients (mu = 5.2 x 10(-3)). An analysis based on classical lubrication theory suggests that the reduction in friction force produced by free polymer is a consequence of the gradual separation of asperities on opposing surfaces and the consequent substitution of solid-solid friction by viscous drag of the free polymer chains in the network.

A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments.

PubMed

Rinkevicius, Zilvinas; Li, Xin; Sandberg, Jaime A R; Mikkelsen, Kurt V; Ågren, Hans

2014-03-11

We introduce a density functional theory/molecular mechanical approach for computation of linear response properties of molecules in heterogeneous environments, such as metal surfaces or nanoparticles embedded in solvents. The heterogeneous embedding environment, consisting from metallic and nonmetallic parts, is described by combined force fields, where conventional force fields are used for the nonmetallic part and capacitance-polarization-based force fields are used for the metallic part. The presented approach enables studies of properties and spectra of systems embedded in or placed at arbitrary shaped metallic surfaces, clusters, or nanoparticles. The capability and performance of the proposed approach is illustrated by sample calculations of optical absorption spectra of thymidine absorbed on gold surfaces in an aqueous environment, where we study how different organizations of the gold surface and how the combined, nonadditive effect of the two environments is reflected in the optical absorption spectrum.

The Origin Of Most Cosmic Rays: The Acceleration By E(parallel)

NASA Astrophysics Data System (ADS)

Colgate, Stirling A.; Li, H.

2008-03-01

We suggest a universal view of the origin of almost all cosmic rays. We propose that nearly every accelerated CRs was initially part of the parallel current that maintains most all force-free, twisted magnetic fields. We point out the greatest fraction of the free energy of magnetic fields in the universe likely resides in force-free fields as opposed to force-bounded ones, because the velocity of twisting, the ponder motive force, is small compared to local Alven speed. We suggest that these helical fields and the particles that they accelerate are distributed nearly uniformly and consequently are near space-filling with some notable exceptions. Charged particles are accelerated by the E( parallel to the magnetic field B) produced by the dissipation of the free energy of these fields by the progressive diffusive loss of "run-away" accelerated current-carrying charged particles from the "core" of the helical fields. Such diffusive loss is first identified as reconnection, but instead potentiates a much larger irreversible loss of highly accelerated anisotropic run-away current carrier particles. We suggest, as in fusion confinement experiments, that there exists a universal, highly robust, diffusion coefficient, D, resulting in D 1% of Bohm diffusion, as has been found in all confinement experiments, possibly driven by drift waves and, or collision-less, tearing modes. The consequential current carrier loss along the resulting tangled field lines is sufficient to account for the energy, number and spectrum of nearly all CR acceleration, both galactic as well as extra galactic. The spectrum is determined by a loss fraction dn/n -dE/E where dn D E-3/2 resulting in dn/dE = E/E0-2.5 up to 1022 ev. Only mass accretion onto SMBHs can supply the energy necessary, 1060 ergs, to fill the IGM with a CR spectrum of Γ 2.6. (Supported by the DOE)

Free energy surfaces in the superconducting mixed state

NASA Technical Reports Server (NTRS)

Finnemore, D. K.; Fang, M. M.; Bansal, N. P.; Farrell, D. E.

1989-01-01

The free energy surface for Tl2Ba2Ca2Cu3O1O has been measured as a function of temperature and magnetic field to determine the fundamental thermodynamic properties of the mixed state. The change in free energy, G(H)-G(O), is found to be linear in temperature over a wide range indicating that the specific heat is independent of field.

Tethered swimming can be used to evaluate force contribution for short-distance swimming performance.

PubMed

Morouço, Pedro G; Marinho, Daniel A; Keskinen, Kari L; Badillo, Juan J; Marques, Mário C

2014-11-01

The purpose of this study was two-fold: (a) to compare stroke and the physiological responses between maximal tethered and free front crawl swimming and (b) to evaluate the contribution of force exertion for swimming performance over short distances. A total of 34 male swimmers, representing various levels of competitive performance, participated in this study. Each participant was tested in both a 30-second maximal tethered swimming test and a 50-m free swimming test. The tethered force parameters, the swimming speed, stroke (stroke rate [SR]), and the physiological responses (increase in blood lactate concentration [ΔBLa], heart rate, and rate of perceived exertion) were recorded and calculated. The results showed no differences in stroke and the physiological responses between tethered and free swimming, with a high level of agreement for the SR and ΔBLa. A strong correlation was obtained between the maximum impulse of force per stroke and the speed (r = 0.91; p < 0.001). Multiple regression analysis revealed that the maximum impulse and SR in the tethered condition explained 84% of the free swimming performance. The relationship between the swimming speed and maximum force tended to be nonlinear, whereas linear relationships were observed with the maximum impulse. This study demonstrates that tethered swimming does not significantly alter stroke and the physiological responses compared with free swimming, and that the maximum impulse per stroke should be used to evaluate the balance between force and the ability to effectively apply force during sprint swimming. Consequently, coaches can rely on tethered forces to identify strength deficits and improve swimming performance over short distances.

Force-field prediction of materials properties in metal-organic frameworks

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

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can bemore » observed when looking at properties sensitive to framework vibrational modes. As a result, this observation is more pronounced upon the introduction of framework charges.« less

Force-field prediction of materials properties in metal-organic frameworks

DOE PAGES

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew; ...

2016-12-23

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can bemore » observed when looking at properties sensitive to framework vibrational modes. As a result, this observation is more pronounced upon the introduction of framework charges.« less

Renormalization Group for nonlinear oscillators in the absence of linear restoring force

NASA Astrophysics Data System (ADS)

Sarkar, A.; Bhattacharjee, J. K.

2010-09-01

Perturbative Renormalization Group (RG) has been very useful in probing periodic orbits in two-dimensional dynamical systems (Sarkar A., Bhattacharjee J. K., Chakraborty S. and Banerjee D., arXiv:1005.2858v1 (2010)). The method relies on finding a linear center, around which perturbation analysis is done. However it is not obvious as to how systems devoid of any linear terms may be approached using this method. We propose here how RG can be done even in the absence of linear terms. We successfully apply the method to extract correct results for a variant of the second-order Riccati equation. In this variant the periodic orbit disappears as a parameter is varied. Our RG captures this disappearance correctly. We have also applied the technique successfully on the force-free Van der Pol-Duffing oscillator.

Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations

NASA Astrophysics Data System (ADS)

Selwa, Edithe; Elisée, Eddy; Zavala, Agustin; Iorga, Bogdan I.

2018-01-01

Our participation to the D3R Grand Challenge 2 involved a protocol in two steps, with an initial analysis of the available structural data from the PDB allowing the selection of the most appropriate combination of docking software and scoring function. Subsequent docking calculations showed that the pose prediction can be carried out with a certain precision, but this is dependent on the specific nature of the ligands. The correct ranking of docking poses is still a problem and cannot be successful in the absence of good pose predictions. Our free energy calculations on two different subsets provided contrasted results, which might have the origin in non-optimal force field parameters associated with the sulfonamide chemical moiety.

3-D MHD modeling and stability analysis of jet and spheromak plasmas launched into a magnetized plasma

NASA Astrophysics Data System (ADS)

Fisher, Dustin; Zhang, Yue; Wallace, Ben; Gilmore, Mark; Manchester, Ward; Arge, C. Nick

2016-10-01

The Plasma Bubble Expansion Experiment (PBEX) at the University of New Mexico uses a coaxial plasma gun to launch jet and spheromak magnetic plasma configurations into the Helicon-Cathode (HelCat) plasma device. Plasma structures launched from the gun drag frozen-in magnetic flux into the background magnetic field of the chamber providing a rich set of dynamics to study magnetic turbulence, force-free magnetic spheromaks, and shocks. Preliminary modeling is presented using the highly-developed 3-D, MHD, BATS-R-US code developed at the University of Michigan. BATS-R-US employs an adaptive mesh refinement grid that enables the capture and resolution of shock structures and current sheets, and is particularly suited to model the parameter regime under investigation. CCD images and magnetic field data from the experiment suggest the stabilization of an m =1 kink mode trailing a plasma jet launched into a background magnetic field. Results from a linear stability code investigating the effect of shear-flow as a cause of this stabilization from magnetic tension forces on the jet will be presented. Initial analyses of a possible magnetic Rayleigh Taylor instability seen at the interface between launched spheromaks and their entraining background magnetic field will also be presented. Work supported by the Army Research Office Award No. W911NF1510480.

Parametric resonance in the early Universe—a fitting analysis

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

Figueroa, Daniel G.; Torrentí, Francisco, E-mail: daniel.figueroa@cern.ch, E-mail: f.torrenti@csic.es

Particle production via parametric resonance in the early Universe, is a non-perturbative, non-linear and out-of-equilibrium phenomenon. Although it is a well studied topic, whenever a new scenario exhibits parametric resonance, a full re-analysis is normally required. To avoid this tedious task, many works present often only a simplified linear treatment of the problem. In order to surpass this circumstance in the future, we provide a fitting analysis of parametric resonance through all its relevant stages: initial linear growth, non-linear evolution, and relaxation towards equilibrium. Using lattice simulations in an expanding grid in 3+1 dimensions, we parametrize the dynamics' outcome scanningmore » over the relevant ingredients: role of the oscillatory field, particle coupling strength, initial conditions, and background expansion rate. We emphasize the inaccuracy of the linear calculation of the decay time of the oscillatory field, and propose a more appropriate definition of this scale based on the subsequent non-linear dynamics. We provide simple fits to the relevant time scales and particle energy fractions at each stage. Our fits can be applied to post-inflationary preheating scenarios, where the oscillatory field is the inflaton, or to spectator-field scenarios, where the oscillatory field can be e.g. a curvaton, or the Standard Model Higgs.« less

Evaluation of the toroidal torque driven by external non-resonant non-axisymmetric magnetic field perturbations in a tokamak

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

Kasilov, Sergei V.; Institute of Plasma Physics National Science Center “Kharkov Institute of Physics and Technology” ul. Akademicheskaya 1, 61108 Kharkov; Kernbichler, Winfried

2014-09-15

The toroidal torque driven by external non-resonant magnetic perturbations (neoclassical toroidal viscosity) is an important momentum source affecting the toroidal plasma rotation in tokamaks. The well-known force-flux relation directly links this torque to the non-ambipolar neoclassical particle fluxes arising due to the violation of the toroidal symmetry of the magnetic field. Here, a quasilinear approach for the numerical computation of these fluxes is described, which reduces the dimension of a standard neoclassical transport problem by one without model simplifications of the linearized drift kinetic equation. The only limiting condition is that the non-axisymmetric perturbation field is small enough such thatmore » the effect of the perturbation field on particle motion within the flux surface is negligible. Therefore, in addition to most of the transport regimes described by the banana (bounce averaged) kinetic equation also such regimes as, e.g., ripple-plateau and resonant diffusion regimes are naturally included in this approach. Based on this approach, a quasilinear version of the code NEO-2 [W. Kernbichler et al., Plasma Fusion Res. 3, S1061 (2008).] has been developed and benchmarked against a few analytical and numerical models. Results from NEO-2 stay in good agreement with results from these models in their pertinent range of validity.« less

Force Field for Water Based on Neural Network.

PubMed

Wang, Hao; Yang, Weitao

2018-05-18

We developed a novel neural network based force field for water based on training with high level ab initio theory. The force field was built based on electrostatically embedded many-body expansion method truncated at binary interactions. Many-body expansion method is a common strategy to partition the total Hamiltonian of large systems into a hierarchy of few-body terms. Neural networks were trained to represent electrostatically embedded one-body and two-body interactions, which require as input only one and two water molecule calculations at the level of ab initio electronic structure method CCSD/aug-cc-pVDZ embedded in the molecular mechanics water environment, making it efficient as a general force field construction approach. Structural and dynamic properties of liquid water calculated with our force field show good agreement with experimental results. We constructed two sets of neural network based force fields: non-polarizable and polarizable force fields. Simulation results show that the non-polarizable force field using fixed TIP3P charges has already behaved well, since polarization effects and many-body effects are implicitly included due to the electrostatic embedding scheme. Our results demonstrate that the electrostatically embedded many-body expansion combined with neural network provides a promising and systematic way to build the next generation force fields at high accuracy and low computational costs, especially for large systems.

Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass.

PubMed

Snyder, James A; Abramyan, Tigran; Yancey, Jeremy A; Thyparambil, Aby A; Wei, Yang; Stuart, Steven J; Latour, Robert A

2012-12-01

Adsorption free energies for eight host-guest peptides (TGTG-X-GTGT, with X = N, D, G, K, F, T, W, and V) on two different silica surfaces [quartz (100) and silica glass] were calculated using umbrella sampling and replica exchange molecular dynamics and compared with experimental values determined by atomic force microscopy. Using the CHARMM force field, adsorption free energies were found to be overestimated (i.e., too strongly adsorbing) by about 5-9 kcal/mol compared to the experimental data for both types of silica surfaces. Peptide adsorption behavior for the silica glass surface was then adjusted using a modified version of the CHARMM program, which we call dual force-field CHARMM, which allows separate sets of nonbonded parameters (i.e., partial charge and Lennard-Jones parameters) to be used to represent intra-phase and inter-phase interactions within a given molecular system. Using this program, interfacial force field (IFF) parameters for the peptide-silica glass systems were corrected to obtain adsorption free energies within about 0.5 kcal/mol of their respective experimental values, while IFF tuning for the quartz (100) surface remains for future work. The tuned IFF parameter set for silica glass will subsequently be used for simulations of protein adsorption behavior on silica glass with greater confidence in the balance between relative adsorption affinities of amino acid residues and the aqueous solution for the silica glass surface.

Development of a Tuned Interfacial Force Field Parameter Set for the Simulation of Protein Adsorption to Silica Glass

PubMed Central

Snyder, James A.; Abramyan, Tigran; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

2012-01-01

Adsorption free energies for eight host–guest peptides (TGTG-X-GTGT, with X = N, D, G, K, F, T, W, and V) on two different silica surfaces [quartz (100) and silica glass] were calculated using umbrella sampling and replica exchange molecular dynamics and compared with experimental values determined by atomic force microscopy. Using the CHARMM force field, adsorption free energies were found to be overestimated (i.e., too strongly adsorbing) by about 5–9 kcal/mol compared to the experimental data for both types of silica surfaces. Peptide adsorption behavior for the silica glass surface was then adjusted using a modified version of the CHARMM program, which we call dual force-field CHARMM, which allows separate sets of nonbonded parameters (i.e., partial charge and Lennard-Jones parameters) to be used to represent intra-phase and inter-phase interactions within a given molecular system. Using this program, interfacial force field (IFF) parameters for the peptide-silica glass systems were corrected to obtain adsorption free energies within about 0.5 kcal/mol of their respective experimental values, while IFF tuning for the quartz (100) surface remains for future work. The tuned IFF parameter set for silica glass will subsequently be used for simulations of protein adsorption behavior on silica glass with greater confidence in the balance between relative adsorption affinities of amino acid residues and the aqueous solution for the silica glass surface. PMID:22941539

An Efficient Crankshaft Dynamic Analysis Using Substructuring with Ritz Vectors

NASA Astrophysics Data System (ADS)

MOURELATOS, Z. P.

2000-11-01

A structural analysis using dynamic substructuring with Ritz vectors is presented for predicting the dynamic response of an engine crankshaft, based on the finite-element method. A two-level dynamic substructuring is performed using a set of load-dependent Ritz vectors. The rotating crankshaft is properly coupled with the non-rotating, compliant engine block. The block compliance is represented by a distributed linear elastic foundation at each main bearing location. The stiffness of the elastic foundation can be different in the vertical and horizontal planes, thereby considering the anisotropy of the engine block compliance with respect to the crankshaft rotation. The analysis accounts for the kinematic non-linearity resulting from the crankangle-dependent circumferential contact location between each journal and the corresponding bore of the engine block. Crankshaft “bent” and block “misboring” effects due to manufacturing imperfections are considered in the analysis. The superior accuracy and reduced computational effort of the present method as compared with the equivalent superelement analysis in MSC/NASTRAN, are demonstrated using the free and forced vibrations of a slender cylindrical beam and free vibrations of a four-cylinder engine crankshaft. Subsequently, the accuracy of the present method in calculating the dynamic response of engine crankshafts is shown through comparisons between the analytical predictions and experimental results for the torsional vibrations of an in-line five cylinder engine and the bending vibrations of the crankshaft-flywheel assembly of a V6 engine.

Force-free magnetic fields - The magneto-frictional method

NASA Technical Reports Server (NTRS)

Yang, W. H.; Sturrock, P. A.; Antiochos, S. K.

1986-01-01

The problem under discussion is that of calculating magnetic field configurations in which the Lorentz force j x B is everywhere zero, subject to specified boundary conditions. We choose to represent the magnetic field in terms of Clebsch variables in the form B = grad alpha x grad beta. These variables are constant on any field line so that each field line is labeled by the corresponding values of alpha and beta. When the field is described in this way, the most appropriate choice of boundary conditions is to specify the values of alpha and beta on the bounding surface. We show that such field configurations may be calculated by a magneto-frictional method. We imagine that the field lines move through a stationary medium, and that each element of magnetic field is subject to a frictional force parallel to and opposing the velocity of the field line. This concept leads to an iteration procedure for modifying the variables alpha and beta, that tends asymptotically towards the force-free state. We apply the method first to a simple problem in two rectangular dimensions, and then to a problem of cylindrical symmetry that was previously discussed by Barnes and Sturrock (1972). In one important respect, our new results differ from the earlier results of Barnes and Sturrock, and we conclude that the earlier article was in error.

Geometry of the scalar sector

DOE PAGES

Alonso, Rodrigo; Jenkins, Elizabeth E.; Manohar, Aneesh V.

2016-08-17

The S-matrix of a quantum field theory is unchanged by field redefinitions, and so it only depends on geometric quantities such as the curvature of field space. Whether the Higgs multiplet transforms linearly or non-linearly under electroweak symmetry is a subtle question since one can make a coordinate change to convert a field that transforms linearly into one that transforms non-linearly. Renormalizability of the Standard Model (SM) does not depend on the choice of scalar fields or whether the scalar fields transform linearly or non-linearly under the gauge group, but only on the geometric requirement that the scalar field manifoldmore » M is flat. Standard Model Effective Field Theory (SMEFT) and Higgs Effective Field Theory (HEFT) have curved M, since they parametrize deviations from the flat SM case. We show that the HEFT Lagrangian can be written in SMEFT form if and only ifMhas a SU(2) L U(1) Y invariant fixed point. Experimental observables in HEFT depend on local geometric invariants of M such as sectional curvatures, which are of order 1/Λ 2 , where Λ is the EFT scale. We give explicit expressions for these quantities in terms of the structure constants for a general G → H symmetry breaking pattern. The one-loop radiative correction in HEFT is determined using a covariant expansion which preserves manifest invariance of M under coordinate redefinitions. The formula for the radiative correction is simple when written in terms of the curvature of M and the gauge curvature field strengths. We also extend the CCWZ formalism to non-compact groups, and generalize the HEFT curvature computation to the case of multiple singlet scalar fields.« less

Experimental tests of linear and nonlinear three-dimensional equilibrium models in DIII-D

DOE PAGES

King, Josh D.; Strait, Edward J.; Lazerson, Samuel A.; ...

2015-07-01

DIII-D experiments using new detailed magnetic diagnostics show that linear, ideal magnetohydrodynamics (MHD) theory quantitatively describes the magnetic structure (as measured externally) of three-dimensional (3D) equilibria resulting from applied fields with toroidal mode number n = 1, while a nonlinear solution to ideal MHD force balance, using the VMEC code, requires the inclusion of n ≥ 1 to achieve similar agreement. Moreover, these tests are carried out near ITER baseline parameters, providing a validated basis on which to exploit 3D fields for plasma control development. We determine scans of the applied poloidal spectrum and edge safety factors which confirm thatmore » low-pressure, n = 1 non-axisymmetric tokamak equilibria are a single, dominant, stable eigenmode. But, at higher beta, near the ideal kink mode stability limit in the absence of a conducting wall, the qualitative features of the 3D structure are observed to vary in a way that is not captured by ideal MHD.« less

Closed-loop control of boundary layer streaks induced by free-stream turbulence

NASA Astrophysics Data System (ADS)

Papadakis, George; Lu, Liang; Ricco, Pierre

2016-08-01

The central aim of the paper is to carry out a theoretical and numerical study of active wall transpiration control of streaks generated within an incompressible boundary layer by free-stream turbulence. The disturbance flow model is based on the linearized unsteady boundary-region (LUBR) equations, studied by Leib, Wundrow, and Goldstein [J. Fluid Mech. 380, 169 (1999), 10.1017/S0022112098003504], which are the rigorous asymptotic limit of the Navier-Stokes equations for low-frequency and long-streamwise wavelength. The mathematical formulation of the problem directly incorporates the random forcing into the equations in a consistent way. Due to linearity, this forcing is factored out and appears as a multiplicative factor. It is shown that the cost function (integral of kinetic energy in the domain) is properly defined as the expectation of a random quadratic function only after integration in wave number space. This operation naturally introduces the free-stream turbulence spectral tensor into the cost function. The controller gains for each wave number are independent of the spectral tensor and, in that sense, universal. Asymptotic matching of the LUBR equations with the free-stream conditions results in an additional forcing term in the state-space system whose presence necessitates the reformulation of the control problem and the rederivation of its solution. It is proved that the solution can be obtained analytically using an extension of the sweep method used in control theory to obtain the standard Riccati equation. The control signal consists of two components, a feedback part and a feed-forward part (that depends explicitly on the forcing term). Explicit recursive equations that provide these two components are derived. It is shown that the feed-forward part makes a negligible contribution to the control signal. We also derive an explicit expression that a priori (i.e., before solving the control problem) leads to the minimum of the objective cost function (i.e., the fundamental performance limit), based only on the system matrices and the initial and free-stream boundary conditions. The adjoint equations admit a self-similar solution for large spanwise wave numbers with a scaling which is different from that of the LUBR equations. The controlled flow field also has a self-similar solution if the weighting matrices of the objective function are chosen appropriately. The code developed to implement this algorithm is efficient and has modest memory requirements. Computations show the significant reduction of energy for each wave number. The control of the full spectrum streaks, for conditions corresponding to a realistic experimental case, shows that the root-mean-square of the streamwise velocity is strongly suppressed in the whole domain and for all the frequency ranges examined.

An intangible energy in the functioning biosystem. II: Useful parallels with circuit theory and with non-linear optics.

PubMed

Reid, B L

1995-06-01

The argument is developed that a structure and function already exists in selected inanimate systems for an intangible energy dissipating these systems and that, in so doing, this energy exhibits certain properties, readily recognised in the functioning biosystem. The central thesis is that, during dissipation, the structure of the biosystem affords opportunity for an enhanced display of these properties, so that this structure can be rationally recognised as obligatory in the transition, inanimate to animate matter. The systems chosen are those of reactance in linear circuit theory of electronics, and some recent developments in non-linear optics, both of which rely on imaginary or quantal force to display observable effects. Discussion occurs on the fashion which the development of a statistical formalism as a basis for the study of squeezed states of light in these non-linear systems, has, at the same time, overcome a long standing veto on the practical use of quantal energy associated with the Uncertainty Principle of Heisenberg. These ideas are used to vindicate the suggestion that a theoretical basis is presently available for an engineering type approach, toward an intangible force as it exists in the biosystem. The origins and properties of such a force continue to be considered by many as immersed in mysticism.

A physical model for low-frequency electromagnetic induction in the near field based on direct interaction between transmitter and receiver electrons

PubMed Central

Smith, Ray T.; Jjunju, Fred P. M.; Young, Iain S.; Taylor, Stephen

2016-01-01

A physical model of electromagnetic induction is developed which relates directly the forces between electrons in the transmitter and receiver windings of concentric coaxial finite coils in the near-field region. By applying the principle of superposition, the contributions from accelerating electrons in successive current loops are summed, allowing the peak-induced voltage in the receiver to be accurately predicted. Results show good agreement between theory and experiment for various receivers of different radii up to five times that of the transmitter. The limitations of the linear theory of electromagnetic induction are discussed in terms of the non-uniform current distribution caused by the skin effect. In particular, the explanation in terms of electromagnetic energy and Poynting’s theorem is contrasted with a more direct explanation based on variable filament induction across the conductor cross section. As the direct physical model developed herein deals only with forces between discrete current elements, it can be readily adapted to suit different coil geometries and is widely applicable in various fields of research such as near-field communications, antenna design, wireless power transfer, sensor applications and beyond. PMID:27493580

A physical model for low-frequency electromagnetic induction in the near field based on direct interaction between transmitter and receiver electrons.

PubMed

Smith, Ray T; Jjunju, Fred P M; Young, Iain S; Taylor, Stephen; Maher, Simon

2016-07-01

A physical model of electromagnetic induction is developed which relates directly the forces between electrons in the transmitter and receiver windings of concentric coaxial finite coils in the near-field region. By applying the principle of superposition, the contributions from accelerating electrons in successive current loops are summed, allowing the peak-induced voltage in the receiver to be accurately predicted. Results show good agreement between theory and experiment for various receivers of different radii up to five times that of the transmitter. The limitations of the linear theory of electromagnetic induction are discussed in terms of the non-uniform current distribution caused by the skin effect. In particular, the explanation in terms of electromagnetic energy and Poynting's theorem is contrasted with a more direct explanation based on variable filament induction across the conductor cross section. As the direct physical model developed herein deals only with forces between discrete current elements, it can be readily adapted to suit different coil geometries and is widely applicable in various fields of research such as near-field communications, antenna design, wireless power transfer, sensor applications and beyond.

The Non-Linear Nature of Information and its Implications for Advanced Technology Forces

DTIC Science & Technology

1998-05-18

anticipated tremendous benefits from the growth of information based technology. It is now axiomatic that the ability to achieve information dominance against...the commercial world are mix. To achieve the information dominance anticipated through advances in technology, military decision makers must understand and accommodate the non-linear nature of the information systems they employ.

Ambient seismic wave field

PubMed Central

NISHIDA, Kiwamu

2017-01-01

The ambient seismic wave field, also known as ambient noise, is excited by oceanic gravity waves primarily. This can be categorized as seismic hum (1–20 mHz), primary microseisms (0.02–0.1 Hz), and secondary microseisms (0.1–1 Hz). Below 20 mHz, pressure fluctuations of ocean infragravity waves reach the abyssal floor. Topographic coupling between seismic waves and ocean infragravity waves at the abyssal floor can explain the observed shear traction sources. Below 5 mHz, atmospheric disturbances may also contribute to this excitation. Excitation of primary microseisms can be attributed to topographic coupling between ocean swell and seismic waves on subtle undulation of continental shelves. Excitation of secondary microseisms can be attributed to non-linear forcing by standing ocean swell at the sea surface in both pelagic and coastal regions. Recent developments in source location based on body-wave microseisms enable us to estimate forcing quantitatively. For a comprehensive understanding, we must consider the solid Earth, the ocean, and the atmosphere as a coupled system. PMID:28769015

Time-sliced perturbation theory for large scale structure I: general formalism

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

Blas, Diego; Garny, Mathias; Sibiryakov, Sergey

2016-07-01

We present a new analytic approach to describe large scale structure formation in the mildly non-linear regime. The central object of the method is the time-dependent probability distribution function generating correlators of the cosmological observables at a given moment of time. Expanding the distribution function around the Gaussian weight we formulate a perturbative technique to calculate non-linear corrections to cosmological correlators, similar to the diagrammatic expansion in a three-dimensional Euclidean quantum field theory, with time playing the role of an external parameter. For the physically relevant case of cold dark matter in an Einstein-de Sitter universe, the time evolution ofmore » the distribution function can be found exactly and is encapsulated by a time-dependent coupling constant controlling the perturbative expansion. We show that all building blocks of the expansion are free from spurious infrared enhanced contributions that plague the standard cosmological perturbation theory. This paves the way towards the systematic resummation of infrared effects in large scale structure formation. We also argue that the approach proposed here provides a natural framework to account for the influence of short-scale dynamics on larger scales along the lines of effective field theory.« less

Radiated flow of chemically reacting nanoliquid with an induced magnetic field across a permeable vertical plate

NASA Astrophysics Data System (ADS)

Mahanthesh, B.; Gireesha, B. J.; Athira, P. R.

Impact of induced magnetic field over a flat porous plate by utilizing incompressible water-copper nanoliquid is examined analytically. Flow is supposed to be laminar, steady and two-dimensional. The plate is subjected to a regular free stream velocity as well as suction velocity. Flow formulation is developed by considering Maxwell-Garnetts (MG) and Brinkman models of nanoliquid. Impacts of thermal radiation, viscous dissipation, temperature dependent heat source/sink and first order chemical reaction are also retained. The subjected non-linear problems are non-dimensionalized and analytic solutions are presented via series expansion method. The graphs are plotted to analyze the influence of pertinent parameters on flow, magnetism, heat and mass transfer fields as well as friction factor, current density, Nusselt and Sherwood numbers. It is found that friction factor at the plate is more for larger magnetic Prandtl number. Also the rate of heat transfer decayed with increasing nanoparticles volume fraction and the strength of magnetism.

Instability of Non-uniform Toroidal Magnetic Fields in Accretion Disks

NASA Astrophysics Data System (ADS)

Hirabayashi, Kota; Hoshino, Masahiro

2016-05-01

We present a new type of instability that is expected to drive magnetohydrodynamic (MHD) turbulence from a purely toroidal magnetic field in an accretion disk. It is already known that in a differentially rotating system, the uniform toroidal magnetic field is unstable due to magnetorotational instability (MRI) under a non-axisymmetric and vertical perturbation, while it is stable under a purely vertical perturbation. Contrary to the previous study, this paper proposes an unstable mode completely confined to the equatorial plane, driven by the expansive nature of the magnetic pressure gradient force under a non-uniform toroidal field. The basic nature of this growing eigenmode, which we name “magneto-gradient driven instability,” is studied using linear analysis, and the corresponding nonlinear evolution is then investigated using two-dimensional ideal MHD simulations. Although a single localized magnetic field channel alone cannot provide sufficient Maxwell stress to contribute significantly to the angular momentum transport, we find that the mode coupling between neighboring toroidal fields under multiple localized magnetic field channels drastically generates a highly turbulent state and leads to the enhanced transport of angular momentum, which is comparable to the efficiency seen in previous studies on MRIs. This horizontally confined mode may play an important role in the saturation of an MRI through complementray growth with the toroidal MRIs and coupling with magnetic reconnection.

INSTABILITY OF NON-UNIFORM TOROIDAL MAGNETIC FIELDS IN ACCRETION DISKS

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

Hirabayashi, Kota; Hoshino, Masahiro, E-mail: hirabayashi-k@eps.s.u-tokyo.ac.jp

We present a new type of instability that is expected to drive magnetohydrodynamic (MHD) turbulence from a purely toroidal magnetic field in an accretion disk. It is already known that in a differentially rotating system, the uniform toroidal magnetic field is unstable due to magnetorotational instability (MRI) under a non-axisymmetric and vertical perturbation, while it is stable under a purely vertical perturbation. Contrary to the previous study, this paper proposes an unstable mode completely confined to the equatorial plane, driven by the expansive nature of the magnetic pressure gradient force under a non-uniform toroidal field. The basic nature of thismore » growing eigenmode, which we name “magneto-gradient driven instability,” is studied using linear analysis, and the corresponding nonlinear evolution is then investigated using two-dimensional ideal MHD simulations. Although a single localized magnetic field channel alone cannot provide sufficient Maxwell stress to contribute significantly to the angular momentum transport, we find that the mode coupling between neighboring toroidal fields under multiple localized magnetic field channels drastically generates a highly turbulent state and leads to the enhanced transport of angular momentum, which is comparable to the efficiency seen in previous studies on MRIs. This horizontally confined mode may play an important role in the saturation of an MRI through complementray growth with the toroidal MRIs and coupling with magnetic reconnection.« less

Stochastic inflation in phase space: is slow roll a stochastic attractor?

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

Grain, Julien; Vennin, Vincent, E-mail: julien.grain@ias.u-psud.fr, E-mail: vincent.vennin@port.ac.uk

An appealing feature of inflationary cosmology is the presence of a phase-space attractor, ''slow roll'', which washes out the dependence on initial field velocities. We investigate the robustness of this property under backreaction from quantum fluctuations using the stochastic inflation formalism in the phase-space approach. A Hamiltonian formulation of stochastic inflation is presented, where it is shown that the coarse-graining procedure—where wavelengths smaller than the Hubble radius are integrated out—preserves the canonical structure of free fields. This means that different sets of canonical variables give rise to the same probability distribution which clarifies the literature with respect to this issue.more » The role played by the quantum-to-classical transition is also analysed and is shown to constrain the coarse-graining scale. In the case of free fields, we find that quantum diffusion is aligned in phase space with the slow-roll direction. This implies that the classical slow-roll attractor is immune to stochastic effects and thus generalises to a stochastic attractor regardless of initial conditions, with a relaxation time at least as short as in the classical system. For non-test fields or for test fields with non-linear self interactions however, quantum diffusion and the classical slow-roll flow are misaligned. We derive a condition on the coarse-graining scale so that observational corrections from this misalignment are negligible at leading order in slow roll.« less

Stability analysis of an equilibrium position in the photogravitational Sitnikov problem

NASA Astrophysics Data System (ADS)

Bardin, B. S.; Avdushkin, A. N.

2018-05-01

We deal with the so-called photogravitational Sitnikov problem, that is we consider rectilinear motion of a body of infinitesimal mass in a field of two graviting and radiating primaries, which have equal masses and act on the body with equal repulsive forces of radiation pressure. The body has equilibrium position in the barycenter of the system. In this paper the stability of the equilibrium position is investigated in detail. In particular, by the study of the linearized system we have found in the plane of parameter values the regions of instability. It appears that the instability regions alternate with stability regions and become very narrower when the eccentricity of the primaries orbits approaches to 1. Outside the instability regions we have performed non-linear stability analysis and shown that the stability of the equilibrium position in the sense of Lyapunov takes place both in resonant and non-resonant cases. The results of the study are represented in a form of stability diagram.

A Review of the Proposed K (sub Isi) Offset-Secant Method for Size-Independent Linear-Elastic Toughness Evaluation

NASA Technical Reports Server (NTRS)

James, Mark; Wells, Doug; Allen, Phillip; Wallin, Kim

2017-01-01

The proposed size-independent linear-elastic fracture toughness, K (sub Isi), for potential inclusion in ASTM E399 targets a consistent 0.5 millimeters crack extension for all specimen sizes through an offset secant that is a function of the specimen ligament length. The K (sub Isi) method also includes an increase in allowable deformation, and the removal of the P (sub max)/P (sub Q) criterion. A finite element study of the K (sub Isi) test method confirms the viability of the increased deformation limit, but has also revealed a few areas of concern. Findings: 1. The deformation limit, b (sub o) greater than or equal to 1.1 times (K (sub I) divided by delta (sub ys) squared) maintains a K-dominant crack tip field with limited plastic contribution to the fracture energy; 2. The three dimensional effects on compliance and the shape of the force versus CMOD (Crack-Mouth Opening Displacement) trace are significant compared to a plane strain assumption; 3. The non-linearity in the force versus CMOD trace at deformations higher than the current limit of 2.5 times (K (sub I) divided by delta (sub ys) squared) is sufficient to introduce error or even "false calls" regarding crack extension when using a constant offset secant line. This issue is more significant for specimens with W (width) greater than or equal to 2 inches; 4. A non-linear plasticity correction factor in the offset secant may improve the viability of the method at deformations between 2.5 times (K (sub I) divided by delta (sub ys) squared) and 1.1 times (K (sub I) divided by delta (sub ys) squared).

Evaluating Parametrization Protocols for Hydration Free Energy Calculations with the AMOEBA Polarizable Force Field.

PubMed

Bradshaw, Richard T; Essex, Jonathan W

2016-08-09

Hydration free energy (HFE) calculations are often used to assess the performance of biomolecular force fields and the quality of assigned parameters. The AMOEBA polarizable force field moves beyond traditional pairwise additive models of electrostatics and may be expected to improve upon predictions of thermodynamic quantities such as HFEs over and above fixed-point-charge models. The recent SAMPL4 challenge evaluated the AMOEBA polarizable force field in this regard but showed substantially worse results than those using the fixed-point-charge GAFF model. Starting with a set of automatically generated AMOEBA parameters for the SAMPL4 data set, we evaluate the cumulative effects of a series of incremental improvements in parametrization protocol, including both solute and solvent model changes. Ultimately, the optimized AMOEBA parameters give a set of results that are not statistically significantly different from those of GAFF in terms of signed and unsigned error metrics. This allows us to propose a number of guidelines for new molecule parameter derivation with AMOEBA, which we expect to have benefits for a range of biomolecular simulation applications such as protein-ligand binding studies.

Time-domain parameter identification of aeroelastic loads by forced-vibration method for response of flexible structures subject to transient wind

NASA Astrophysics Data System (ADS)

Cao, Bochao

Slender structures representing civil, mechanical and aerospace systems such as long-span bridges, high-rise buildings, stay cables, power-line cables, high light mast poles, crane-booms and aircraft wings could experience vortex-induced and buffeting excitations below their design wind speeds and divergent self-excited oscillations (flutter) beyond a critical wind speed because these are flexible. Traditional linear aerodynamic theories that are routinely applied for their response prediction are not valid in the galloping, or near-flutter regime, where large-amplitude vibrations could occur and during non-stationary and transient wind excitations that occur, for example, during hurricanes, thunderstorms and gust fronts. The linear aerodynamic load formulation for lift, drag and moment are expressed in terms of aerodynamic functions in frequency domain that are valid for straight-line winds which are stationary or weakly-stationary. Application of the frequency domain formulation is restricted from use in the nonlinear and transient domain because these are valid for linear models and stationary wind. The time-domain aerodynamic force formulations are suitable for finite element modeling, feedback-dependent structural control mechanism, fatigue-life prediction, and above all modeling of transient structural behavior during non-stationary wind phenomena. This has motivated the developing of time-domain models of aerodynamic loads that are in parallel to the existing frequency-dependent models. Parameters defining these time-domain models can be now extracted from wind tunnel tests, for example, the Rational Function Coefficients defining the self-excited wind loads can be extracted using section model tests using the free vibration technique. However, the free vibration method has some limitations because it is difficult to apply at high wind speeds, in turbulent wind environment, or on unstable cross sections with negative aerodynamic damping. In the current research, new algorithms were developed based on forced vibration technique for direct extraction of the Rational Functions. The first of the two algorithms developed uses the two angular phase lag values between the measured vertical or torsional displacement and the measured aerodynamic lift and moment produced on the section model subject to forced vibration to identify the Rational Functions. This algorithm uses two separate one-degree-of-freedom tests (vertical or torsional) to identify all the four Rational Functions or corresponding Rational Function Coefficients for a two degrees-of-freedom (DOF) vertical-torsional vibration model. It was applied to a streamlined section model and the results compared well with those obtained from earlier free vibration experiment. The second algorithm that was developed is based on direct least squares method. It uses all the data points of displacements and aerodynamic lift and moment instead of phase lag values for more accurate estimates. This algorithm can be used for one-, two- and three-degree-of-freedom motions. A two-degree-of-freedom forced vibration system was developed and the algorithm was shown to work well for both streamlined and bluff section models. The uniqueness of the second algorithms lies in the fact that it requires testing the model at only two wind speeds for extraction of all four Rational Functions. The Rational Function Coefficients that were extracted for a streamlined section model using the two-DOF Least Squares algorithm were validated in a separate wind tunnel by testing a larger scaled model subject to straight-line, gusty and boundary-layer wind.

Magnetothermal Convection in Nonconducting Diamagnetic and Paramagnetic Fluids

NASA Technical Reports Server (NTRS)

Edwards, Boyd F.; Gray, Donald D.; Huang, Jie

1996-01-01

Nonuniform magnetic fields exert a magnetic body force on electrically nonconducting classical fluids. These include paramagnetic fluids such as gaseous and liquid oxygen and diamagnetic fluids such as helium. Recent experiments show that this force can overwhelm the force of gravity even at the surface of the earth; it can levitate liquids and gases, quench candle flames, block gas flows, and suppress heat transport. Thermal gradients render the magnetic force nonuniform through the temperature-dependent magnetic susceptibility. These thermal gradients can therefore drive magnetic convection analogous to buoyancy-driven convection. This magnetothermal convection can overwhelm convection driven by gravitational buoyancy in terrestrial experiments. The objectives of the proposed ground-based theoretical study are (a) to supply the magnetothermohydrodynamic theory necessary to understand these recent experiments and (b) to explore the consequences of nonuniform magnetic fields in microgravity. Even the linear theory for the onset of magnetothermal convection is lacking in the literature. We intend to supply the linear and nonlinear theory based on the thermohydrodynamic equations supplemented by the magnetic body force. We intend to investigate the effect of magnetic fields on gas blockage and heat transport in microgravity. Since magnetic fields provide a means of creating arbitrary, controllable body force distributions, we intend to investigate the possibility of using magnetic fields to position and control fluids in microgravity. We also intend to investigate the possibility of creating stationary terrestrial microgravity environments by using the magnetic force to effectively cancel gravity. These investigations may aid in the design of space-based heat-transfer, combustion, and human-life-support equipment.

Non-linear scale interactions in a forced turbulent boundary layer

NASA Astrophysics Data System (ADS)

Duvvuri, Subrahmanyam; McKeon, Beverley

2015-11-01

A strong phase-organizing influence exerted by a single synthetic large-scale spatio-temporal mode on directly-coupled (through triadic interactions) small scales in a turbulent boundary layer forced by a spatially-impulsive dynamic wall-roughness patch was previously demonstrated by the authors (J. Fluid Mech. 2015, vol. 767, R4). The experimental set-up was later enhanced to allow for simultaneous forcing of multiple scales in the flow. Results and analysis are presented from a new set of novel experiments where two distinct large scales are forced in the flow by a dynamic wall-roughness patch. The internal non-linear forcing of two other scales with triadic consistency to the artificially forced large scales, corresponding to sum and difference in wavenumbers, is dominated by the latter. This allows for a forcing-response (input-output) type analysis of the two triadic scales, and naturally lends itself to a resolvent operator based model (e.g. McKeon & Sharma, J. Fluid Mech. 2010, vol. 658, pp. 336-382) of the governing Navier-Stokes equations. The support of AFOSR (grant #FA 9550-12-1-0469, program manager D. Smith) is gratefully acknowledged.

Analytical modeling of large amplitude free vibration of non-uniform beams carrying a both transversely and axially eccentric tip mass

NASA Astrophysics Data System (ADS)

Malaeke, Hasan; Moeenfard, Hamid

2016-03-01

The objective of this paper is to study large amplitude flexural-extensional free vibration of non-uniform cantilever beams carrying a both transversely and axially eccentric tip mass. The effects of variable axial force is also taken into account. Hamilton's principle is utilized to obtain the partial differential equations governing the nonlinear vibration of the system as well as the corresponding boundary conditions. A numerical finite difference scheme is proposed to find the natural frequencies and mode shapes of the system which is validated specifically for a beam with linearly varying cross section. Using a single mode approximation in conjunction with the Lagrange method, the governing equations are reduced to a set of two nonlinear ordinary differential equations in terms of end displacement components of the beam which are coupled due to the presence of the transverse eccentricity. These temporal coupled equations are then solved analytically using the multiple time scales perturbation technique. The obtained analytical results are compared with the numerical ones and excellent agreement is observed. The qualitative and quantitative knowledge resulting from this research is expected to enable the study of the effects of eccentric tip mass and non-uniformity on the large amplitude flexural-extensional vibration of beams for improved dynamic performance.

Casting the Coronal Magnetic Field Reconstruction Tools in 3D Using the MHD Bifrost Model

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

Fleishman, Gregory D.; Loukitcheva, Maria; Anfinogentov, Sergey

Quantifying the coronal magnetic field remains a central problem in solar physics. Nowadays, the coronal magnetic field is often modeled using nonlinear force-free field (NLFFF) reconstructions, whose accuracy has not yet been comprehensively assessed. Here we perform a detailed casting of the NLFFF reconstruction tools, such as π -disambiguation, photospheric field preprocessing, and volume reconstruction methods, using a 3D snapshot of the publicly available full-fledged radiative MHD model. Specifically, from the MHD model, we know the magnetic field vector in the entire 3D domain, which enables us to perform a “voxel-by-voxel” comparison of the restored and the true magnetic fieldsmore » in the 3D model volume. Our tests show that the available π -disambiguation methods often fail in the quiet-Sun areas dominated by small-scale magnetic elements, while they work well in the active region (AR) photosphere and (even better) chromosphere. The preprocessing of the photospheric magnetic field, although it does produce a more force-free boundary condition, also results in some effective “elevation” of the magnetic field components. This “elevation” height is different for the longitudinal and transverse components, which results in a systematic error in absolute heights in the reconstructed magnetic data cube. The extrapolations performed starting from the actual AR photospheric magnetogram are free from this systematic error, while other metrics are comparable with those for extrapolations from the preprocessed magnetograms. This finding favors the use of extrapolations from the original photospheric magnetogram without preprocessing. Our tests further suggest that extrapolations from a force-free chromospheric boundary produce measurably better results than those from a photospheric boundary.« less

Long-term evolution of the force-free twisted magnetosphere of a magnetar

NASA Astrophysics Data System (ADS)

Akgün, T.; Cerdá-Durán, P.; Miralles, J. A.; Pons, J. A.

2017-12-01

We study the long-term quasi-steady evolution of the force-free magnetosphere of a magnetar coupled to its internal magnetic field. We find that magnetospheric currents can be maintained on long time-scales of the order of thousands of years. Meanwhile, the energy, helicity and twist stored in the magnetosphere all gradually increase over the course of this evolution, until a critical point is reached, beyond which a force-free magnetosphere cannot be constructed. At this point, some large-scale magnetospheric rearrangement, possibly resulting in an outburst or a flare, must occur, releasing a large fraction of the stored energy, helicity and twist. After that, the quasi-steady evolution should continue in a similar manner from the new initial conditions. The time-scale for reaching this critical point depends on the overall magnetic field strength and on the relative fraction of the toroidal field. The energy stored in the force-free magnetosphere is found to be up to ∼30 per cent larger than the corresponding vacuum energy. This implies that for a 1014 G field at the pole, the energy budget available for fast magnetospheric events is of the order of a few 1044 erg. The spin-down rate is estimated to increase by up to ∼60 per cent, since the dipole content in the magnetosphere is enhanced by the currents present there. A rough estimate of the braking index n reveals that it is systematically n < 3 for the most part of the evolution, consistent with actual measurements for pulsars and early estimates for several magnetars.

Gamma-Ray Pulsar Light Curves in Vacuum and Force-Free Geometry

NASA Technical Reports Server (NTRS)

Harding, Alice K.; DeCesar, Megan E.; Miller, M. Coleman; Kalapotharakos, Constantinos; Contopoulos, Ioannis

2011-01-01

Recent studies have shown that gamma-ray pulsar light curves are very sensitive to the geometry of the pulsar magnetic field. Pulsar magnetic field geometries, such as the retarded vacuum dipole and force-free magnetospheres have distorted polar caps that are offset from the magnetic axis in the direction opposite to rotation. Since this effect is due to the sweepback of field lines near the light cylinder, offset polar caps are a generic property of pulsar magnetospheres and their effects should be included in gamma-ray pulsar light curve modeling. In slot gap models (having two-pole caustic geometry), the offset polar caps cause a strong azimuthal asymmetry of the particle acceleration around the magnetic axis. We have studied the effect of the offset polar caps in both retarded vacuum dipole and force-free geometry on the model high-energy pulse profiles. We find that, compared to the profiles derived from symmetric caps, the flux in the pulse peaks, which are caustics formed along the trailing magnetic field lines, increases significantly relative to the off-peak emission, formed along leading field lines. The enhanced contrast produces improved slot gap model fits to Fermi pulsar light curves like Vela, with vacuum dipole fits being more favorable.

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

PubMed

Lara, A; Riquelme, M; Vöhringer-Martinez, E

2018-05-11

Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model are in good agreement with the experimental values. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Mean-force-field and mean-spherical approximations for the electric microfield distribution at a charged point in the charged-hard-particles fluid

NASA Astrophysics Data System (ADS)

Rosenfeld, Yaakov

1989-01-01

The linearized mean-force-field approximation, leading to a Gaussian distribution, provides an exact formal solution to the mean-spherical integral equation model for the electric microfield distribution at a charged point in the general charged-hard-particles fluid. Lado's explicit solution for plasmas immediately follows this general observation.

On Thermocapillary Mechanism of Spatial Separation of Metal Melts

NASA Astrophysics Data System (ADS)

Demin, V. A.; Mizev, A. I.; Petukhov, M. I.

2018-02-01

Theoretical research has been devoted to the study of binary metal melts behavior in a thin capillary. Earlier it has been found experimentally that unusually significant and quick redistribution of melts components takes place along capillary after the cooling. Numerical simulation of concentration-induced convection has been carried out to explain these experimental data. Two-component melt of both liquid metals filling vertical thin capillary with non-uniform temperature distribution on the boundaries is considered. It is assumed that the condition of absolute non-wetting is valid on the sidewalls. Because of this effect there is a free surface on vertical boundaries, where thermocapillary force is appeared due to the external longitudinal temperature gradient. It makes to move liquid elements at a big distance, compared with axial size of capillary. Effects of adsorption-desorption on the surface, thermal and concentration-capillary forces, convective motion in a volume and diffusion generate the large-scale circulation. This process includes the admixture carrying-out on the surface in the more hot higher part of the channel, its following transfer down along the boundary due to the thermocapillary force and its return in the volume over the desorption in the lower part of capillary. Intensity of motion and processes of adsorption-desorption on the free boundary have the decisive influence upon the formation of concentration fields and speed of components redistribution. Thus, one of the possible mechanisms of longitudinal division on components of liquid binary mixtures in thin channels has been demonstrated.

The Role of Quasi-Transverse Propagation in Observed Polarization of Flare Loop Microwave Radiation

NASA Astrophysics Data System (ADS)

Shain, A. V.; Melnikov, V. F.; Morgachev, A. S.

2017-12-01

The ordinary mode of gyrosynchrotron radiation was identified to be predominant in some segments of flare loops in solar flares of July 19, 2012, and October 22, 2014. These events were studied by investigation of the quasi-transverse propagation effect on the observed polarization. The analysis involved reconstruction of the magnetic field topology at the linear force-free approximation based on the data of the SDO HMI space telescope and the subsequent simulation of radio emission of flare loops with the GX Simulator software package. The quasi-transverse propagation effect was established to be characteristic for both events, but its influence on the radio emission polarization at a frequency of 17 GHz was observed only in the October 22, 2014 flare.

A volume-of-fluid method for simulation of compressible axisymmetric multi-material flow

NASA Astrophysics Data System (ADS)

de Niem, D.; Kührt, E.; Motschmann, U.

2007-02-01

A two-dimensional Eulerian hydrodynamic method for the numerical simulation of inviscid compressible axisymmetric multi-material flow in external force fields for the situation of pure fluids separated by macroscopic interfaces is presented. The method combines an implicit Lagrangian step with an explicit Eulerian advection step. Individual materials obey separate energy equations, fulfill general equations of state, and may possess different temperatures. Material volume is tracked using a piecewise linear volume-of-fluid method. An overshoot-free logically simple and economic material advection algorithm for cylinder coordinates is derived, in an algebraic formulation. New aspects arising in the case of more than two materials such as the material ordering strategy during transport are presented. One- and two-dimensional numerical examples are given.

On the linear stability of sheared and magnetized jets without current sheets - relativistic case

NASA Astrophysics Data System (ADS)

Kim, Jinho; Balsara, Dinshaw S.; Lyutikov, Maxim; Komissarov, Serguei S.

2018-03-01

In our prior series of papers, we studied the non-relativistic and relativistic linear stability analysis of magnetized jets that do not have current sheets. In this paper, we extend our analysis to relativistic jets with a velocity shear and a similar current sheet free structure. The jets that we study are realistic because we include a velocity shear, a current sheet free magnetic structure, a relativistic velocity and a realistic thermal pressure so as to achieve overall pressure balance in the unperturbed jet. In order to parametrize the velocity shear, we apply a parabolic profile to the jets' 4-velocity. We find that the velocity shear significantly improves the stability of relativistic magnetized jets. This fact is completely consistent with our prior stability analysis of non-relativistic, sheared jets. The velocity shear mainly plays a role in stabilizing the short wavelength unstable modes for the pinch as well as the kink instability modes. In addition, it also stabilizes the long wavelength fundamental pinch instability mode. We also visualize the pressure fluctuations of each unstable mode to provide a better physical understanding of the enhanced stabilization by the velocity shear. Our overall conclusion is that combining velocity shear with a strong and realistic magnetic field makes relativistic jets even more stable.

Electrophoresis in strong electric fields.

PubMed

Barany, Sandor

2009-01-01

Two kinds of non-linear electrophoresis (ef) that can be detected in strong electric fields (several hundred V/cm) are considered. The first ("classical" non-linear ef) is due to the interaction of the outer field with field-induced ionic charges in the electric double layer (EDL) under conditions, when field-induced variations of electrolyte concentration remain to be small comparatively to its equilibrium value. According to the Shilov theory, the non-linear component of the electrophoretic velocity for dielectric particles is proportional to the cubic power of the applied field strength (cubic electrophoresis) and to the second power of the particles radius; it is independent of the zeta-potential but is determined by the surface conductivity of particles. The second one, the so-called "superfast electrophoresis" is connected with the interaction of a strong outer field with a secondary diffuse layer of counterions (space charge) that is induced outside the primary (classical) diffuse EDL by the external field itself because of concentration polarization. The Dukhin-Mishchuk theory of "superfast electrophoresis" predicts quadratic dependence of the electrophoretic velocity of unipolar (ionically or electronically) conducting particles on the external field gradient and linear dependence on the particle's size in strong electric fields. These are in sharp contrast to the laws of classical electrophoresis (no dependence of V(ef) on the particle's size and linear dependence on the electric field gradient). A new method to measure the ef velocity of particles in strong electric fields is developed that is based on separation of the effects of sedimentation and electrophoresis using videoimaging and a new flowcell and use of short electric pulses. To test the "classical" non-linear electrophoresis, we have measured the ef velocity of non-conducting polystyrene, aluminium-oxide and (semiconductor) graphite particles as well as Saccharomice cerevisiae yeast cells as a function of the electric field strength, particle size, electrolyte concentration and the adsorbed polymer amount. It has been shown that the electrophoretic velocity of the particles/cells increases with field strength linearly up to about 100 and 200 V/cm (for cells) without and with adsorbed polymers both in pure water and in electrolyte solutions. In line with the theoretical predictions, in stronger fields substantial non-linear effects were recorded (V(ef)~E(3)). The ef velocity of unipolar ion-type conducting (ion-exchanger particles and fibres), electron-type conducting (magnesium and Mg/Al alloy) and semiconductor particles (graphite, activated carbon, pyrite, molybdenite) increases significantly with the electric field (V(ef)~E(2)) and the particle's size but is almost independent of the ionic strength. These trends are inconsistent with Smoluchowski's equation for dielectric particles, but are consistent with the Dukhin-Mishchuk theory of superfast electrophoresis.

Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies.

PubMed

Kührová, Petra; Best, Robert B; Bottaro, Sandro; Bussi, Giovanni; Šponer, Jiří; Otyepka, Michal; Banáš, Pavel

2016-09-13

The computer-aided folding of biomolecules, particularly RNAs, is one of the most difficult challenges in computational structural biology. RNA tetraloops are fundamental RNA motifs playing key roles in RNA folding and RNA-RNA and RNA-protein interactions. Although state-of-the-art Molecular Dynamics (MD) force fields correctly describe the native state of these tetraloops as a stable free-energy basin on the microsecond time scale, enhanced sampling techniques reveal that the native state is not the global free energy minimum, suggesting yet unidentified significant imbalances in the force fields. Here, we tested our ability to fold the RNA tetraloops in various force fields and simulation settings. We employed three different enhanced sampling techniques, namely, temperature replica exchange MD (T-REMD), replica exchange with solute tempering (REST2), and well-tempered metadynamics (WT-MetaD). We aimed to separate problems caused by limited sampling from those due to force-field inaccuracies. We found that none of the contemporary force fields is able to correctly describe folding of the 5'-GAGA-3' tetraloop over a range of simulation conditions. We thus aimed to identify which terms of the force field are responsible for this poor description of TL folding. We showed that at least two different imbalances contribute to this behavior, namely, overstabilization of base-phosphate and/or sugar-phosphate interactions and underestimated stability of the hydrogen bonding interaction in base pairing. The first artifact stabilizes the unfolded ensemble, while the second one destabilizes the folded state. The former problem might be partially alleviated by reparametrization of the van der Waals parameters of the phosphate oxygens suggested by Case et al., while in order to overcome the latter effect we suggest local potentials to better capture hydrogen bonding interactions.

Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field

PubMed Central

Mohamed, Noor Asidah; Bradshaw, Richard T.

2016-01-01

The effects of electronic polarization in biomolecular interactions will differ depending on the local dielectric constant of the environment, such as in solvent, DNA, proteins, and membranes. Here the performance of the AMOEBA polarizable force field is evaluated under nonaqueous conditions by calculating the solvation free energies of small molecules in four common organic solvents. Results are compared with experimental data and equivalent simulations performed with the GAFF pairwise‐additive force field. Although AMOEBA results give mean errors close to “chemical accuracy,” GAFF performs surprisingly well, with statistically significantly more accurate results than AMOEBA in some solvents. However, for both models, free energies calculated in chloroform show worst agreement to experiment and individual solutes are consistently poor performers, suggesting non‐potential‐specific errors also contribute to inaccuracy. Scope for the improvement of both potentials remains limited by the lack of high quality experimental data across multiple solvents, particularly those of high dielectric constant. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:27757978

In silico direct folding of thrombin-binding aptamer G-quadruplex at all-atom level

PubMed Central

Yang, Changwon; Kulkarni, Mandar; Lim, Manho

2017-01-01

Abstract The reversible folding of the thrombin-binding DNA aptamer G-quadruplexes (GQs) (TBA-15) starting from fully unfolded states was demonstrated using a prolonged time scale (10–12 μs) parallel tempering metadynamics (PTMetaD) simulation method in conjunction with a modified version of the AMBER bsc1 force field. For unbiased descriptions of the folding free energy landscape of TBA-15, this force field was minimally modified. From this direct folding simulation using the modified bsc1 force field, reasonably converged free energy landscapes were obtained in K+-rich aqueous solution (150 mM), providing detailed atomistic pictures of GQ folding mechanisms for TBA-15. This study found that the TBA folding occurred via multiple folding pathways with two major free energy barriers of 13 and 15 kcal/mol in the presence of several intermediate states of G-triplex variants. The early formation of these intermediates was associated with a single K+ ion capturing. Interestingly, these intermediate states appear to undergo facile transitions among themselves through relatively small energy barriers. PMID:29112755

Calculating the sensitivity and robustness of binding free energy calculations to force field parameters

PubMed Central

Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.

2013-01-01

Binding free energy calculations offer a thermodynamically rigorous method to compute protein-ligand binding, and they depend on empirical force fields with hundreds of parameters. We examined the sensitivity of computed binding free energies to the ligand’s electrostatic and van der Waals parameters. Dielectric screening and cancellation of effects between ligand-protein and ligand-solvent interactions reduce the parameter sensitivity of binding affinity by 65%, compared with interaction strengths computed in the gas-phase. However, multiple changes to parameters combine additively on average, which can lead to large changes in overall affinity from many small changes to parameters. Using these results, we estimate that random, uncorrelated errors in force field nonbonded parameters must be smaller than 0.02 e per charge, 0.06 Å per radius, and 0.01 kcal/mol per well depth in order to obtain 68% (one standard deviation) confidence that a computed affinity for a moderately-sized lead compound will fall within 1 kcal/mol of the true affinity, if these are the only sources of error considered. PMID:24015114

Label-Free Alignment of Nonmagnetic Particles in a Small Uniform Magnetic Field.

PubMed

Wang, Zhaomeng; Wang, Ying; Wu, Rui Ge; Wang, Z P; Ramanujan, R V

2018-01-01

Label-free manipulation of biological entities can minimize damage, increase viability and improve efficiency of subsequent analysis. Understanding the mechanism of interaction between magnetic and nonmagnetic particles in an inverse ferrofluid can provide a mechanism of label-free manipulation of such entities in a uniform magnetic field. The magnetic force, induced by relative magnetic susceptibility difference between nonmagnetic particles and surrounding magnetic particles as well as particle-particle interaction were studied. Label-free alignment of nonmagnetic particles can be achieved by higher magnetic field strength (Ba), smaller particle spacing (R), larger particle size (rp1), and higher relative magnetic permeability difference between particle and the surrounding fluid (Rμr). Rμr can be used to predict the direction of the magnetic force between both magnetic and nonmagnetic particles. A sandwich structure, containing alternate layers of magnetic and nonmagnetic particle chains, was studied. This work can be used for manipulation of nonmagnetic particles in lab-on-a-chip applications.

Acoustofluidic bacteria separation

NASA Astrophysics Data System (ADS)

Li, Sixing; Ma, Fen; Bachman, Hunter; Cameron, Craig E.; Zeng, Xiangqun; Huang, Tony Jun

2017-01-01

Bacterial separation from human blood samples can help with the identification of pathogenic bacteria for sepsis diagnosis. In this work, we report an acoustofluidic device for label-free bacterial separation from human blood samples. In particular, we exploit the acoustic radiation force generated from a tilted-angle standing surface acoustic wave (taSSAW) field to separate Escherichia coli from human blood cells based on their size difference. Flow cytometry analysis of the E. coli separated from red blood cells shows a purity of more than 96%. Moreover, the label-free electrochemical detection of the separated E. coli displays reduced non-specific signals due to the removal of blood cells. Our acoustofluidic bacterial separation platform has advantages such as label-free separation, high biocompatibility, flexibility, low cost, miniaturization, automation, and ease of in-line integration. The platform can be incorporated with an on-chip sensor to realize a point-of-care sepsis diagnostic device.

OBSERVATIONS OF THE GROWTH OF AN ACTIVE REGION FILAMENT

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

Yang, Bo; Jiang, Yunchun; Yang, Jiayan

We present observations of the growth of an active region filament caused by magnetic interactions among the filament and its adjacent superpenumbral filament (SF) and dark thread-like structures (T). Multistep reconnections are identified during the whole growing process. Magnetic flux convergence and cancellation occurring at the positive footpoint region of the filament is the first step reconnection, which resulted in the filament bifurcating into two sets of intertwined threads. One set anchored in situ, while the other set moved toward and interacted with the SF and part of T. This indicates the second step reconnection, which gave rise to themore » disappearance of the SF and the formation of a long thread-like structure that connects the far ends of the filament and T. The long thread-like structure further interacted with the T and then separated into two parts, representing the third step reconnection. Finally, another similar long thread-like structure, which intertwined with the fixed filament threads, appeared. H {sub α} observations show that this twisted structure is a longer sinistral filament. Based on the observed photospheric vector magnetograms, we performed a non-linear force-free field extrapolation to reconstruct the magnetic fields above the photosphere and found that the coronal magnetic field lines associated with the filament consists of two twisted flux ropes winding around each other. These results suggest that magnetic interactions among filaments and their adjacent SFs and T could lead to the growth of the filaments, and the filament is probably supported in a flux rope.« less

Non-linear wave-particle interactions and fast ion loss induced by multiple Alfvén eigenmodes in the DIII-D tokamak

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

Chen, Xi; Kramer, Gerrit J.; Heidbrink, William W.

2014-05-21

A new non-linear feature has been observed in fast-ion loss from tokamak plasmas in the form of oscillations at the sum, difference and second harmonic frequencies of two independent Alfvén eigenmodes (AEs). Full orbit calculations and analytic theory indicate this non-linearity is due to coupling of fast-ion orbital response as it passes through each AE — a change in wave-particle phase k • r by one mode alters the force exerted by the next. Furthermore, the loss measurement is of barely confined, non-resonant particles, while similar non-linear interactions can occur between well-confined particles and multiple AEs leading to enhanced fast-ionmore » transport.« less

New non-linear photovoltaic effect in uniform bipolar semiconductor

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

Volovichev, I.

2014-11-21

A linear theory of the new non-linear photovoltaic effect in the closed circuit consisting of a non-uniformly illuminated uniform bipolar semiconductor with neutral impurities is developed. The non-uniform photo-excitation of impurities results in the position-dependant current carrier mobility that breaks the semiconductor homogeneity and induces the photo-electromotive force (emf). As both the electron (or hole) mobility gradient and the current carrier generation rate depend on the light intensity, the photo-emf and the short-circuit current prove to be non-linear functions of the incident light intensity at an arbitrarily low illumination. The influence of the sample size on the photovoltaic effect magnitudemore » is studied. Physical relations and distinctions between the considered effect and the Dember and bulk photovoltaic effects are also discussed.« less

Two Step Acceleration Process of Electrons in the Outer Van Allen Radiation Belt by Time Domain Electric Field Bursts and Large Amplitude Chorus Waves

NASA Astrophysics Data System (ADS)

Agapitov, O. V.; Mozer, F.; Artemyev, A.; Krasnoselskikh, V.; Lejosne, S.

2014-12-01

A huge number of different non-linear structures (double layers, electron holes, non-linear whistlers, etc) have been observed by the electric field experiment on the Van Allen Probes in conjunction with relativistic electron acceleration in the Earth's outer radiation belt. These structures, found as short duration (~0.1 msec) quasi-periodic bursts of electric field in the high time resolution electric field waveform, have been called Time Domain Structures (TDS). They can quite effectively interact with radiation belt electrons. Due to the trapping of electrons into these non-linear structures, they are accelerated up to ~10 keV and their pitch angles are changed, especially for low energies (˜1 keV). Large amplitude electric field perturbations cause non-linear resonant trapping of electrons into the effective potential of the TDS and these electrons are then accelerated in the non-homogeneous magnetic field. These locally accelerated electrons create the "seed population" of several keV electrons that can be accelerated by coherent, large amplitude, upper band whistler waves to MeV energies in this two step acceleration process. All the elements of this chain acceleration mechanism have been observed by the Van Allen Probes.

INVESTIGATION OF HELICITY AND ENERGY FLUX TRANSPORT IN THREE EMERGING SOLAR ACTIVE REGIONS

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

Vemareddy, P., E-mail: vemareddy@iiap.res.in

We report the results of an investigation of helicity and energy flux transport from three emerging solar active regions (ARs). Using time sequence vector magnetic field observations obtained from the Helioseismic Magnetic Imager, the velocity field of plasma flows is derived by the differential affine velocity estimator for vector magnetograms. In three cases, the magnetic fluxes evolve to pump net positive, negative, and mixed-sign helicity flux into the corona. The coronal helicity flux is dominantly coming from the shear term that is related to horizontal flux motions, whereas energy flux is dominantly contributed by the emergence term. The shear helicity fluxmore » has a phase delay of 5–14 hr with respect to absolute magnetic flux. The nonlinear curve of coronal energy versus relative helicity identifies the configuration of coronal magnetic fields, which is approximated by a fit of linear force-free fields. The nature of coronal helicity related to the particular pattern of evolving magnetic fluxes at the photosphere has implications for the generation mechanism of two kinds of observed activity in the ARs.« less

Stormram 4: An MR Safe Robotic System for Breast Biopsy.

PubMed

Groenhuis, Vincent; Siepel, Françoise J; Veltman, Jeroen; van Zandwijk, Jordy K; Stramigioli, Stefano

2018-05-21

Suspicious lesions in the breast that are only visible on magnetic resonance imaging (MRI) need to be biopsied under MR guidance with high accuracy and efficiency for accurate diagnosis. The aim of this study is to present a novel robotic system, the Stormram 4, and to perform preclinical tests in an MRI environment. Excluding racks and needle, its dimensions are 72 × 51 × 40 mm. The Stormram 4 is driven by two linear and two curved pneumatic stepper motors. The linear motor is capable of exerting 63 N of force at a pressure of 0.65 MPa. In an MRI environment the maximum observed stepping frequency is 30 Hz (unloaded), or 8 Hz when full force is needed. The Stormram 4's mean positioning error is 0.73 ± 0.47 mm in free air, and 1.29 ± 0.59 mm when targeting breast phantoms in MRI. Excluding the off-the-shelf needle, the robot is inherently MR safe. The robot is able to accurately target lesions under MRI guidance, reducing tissue damage and risk of false negatives. These results are promising for clinical experiments, improving the quality of healthcare in the field of MRI-guided breast biopsies.

Driving forces for adsorption of amphiphilic peptides to the air-water interface.

PubMed

Engin, Ozge; Villa, Alessandra; Sayar, Mehmet; Hess, Berk

2010-09-02

We have studied the partitioning of amphiphilic peptides at the air-water interface. The free energy of adsorption from bulk to interface was calculated by determining the potential of mean force via atomistic molecular dynamics simulations. To this end a method is introduced to restrain or constrain the center of mass of a group of molecules in a periodic system. The model amphiphilic peptides are composed of alternating valine and asparagine residues. The decomposition of the free energy difference between the bulk and interface is studied for different peptide block lengths. Our analysis revealed that for short amphiphilic peptides the surface driving force dominantly stems from the dehydration of hydrophobic side chains. The only opposing force is associated with the loss of orientational freedom of the peptide at the interface. For the peptides studied, the free energy difference scales linearly with the size of the molecule, since the peptides mainly adopt extended conformations both in bulk and at the interface. The free energy difference depends strongly on the water model, which can be rationalized through the hydration thermodynamics of hydrophobic solutes. Finally, we measured the reduction of the surface tension associated with complete coverage of the interface with peptides.

Voids in Gravitational Instability Scenarios - Part One - Global Density and Velocity Fields in an Einstein - De-Sitter Universe

NASA Astrophysics Data System (ADS)

van de Weygaert, R.; van Kampen, E.

1993-07-01

The first results of an extensive study of the structure and dynamics of underdense regions in gravitational instability scenarios are presented. Instead of adopting spherically symmetric voids with some idealized initial density and velocity profile, underdense regions of a given size and depth, embedded in an initial density fluctuation field, are generated. In order to accomplish this in a consistent way, these initial conditions are set up by means of Bertschinger's constrained random field code. The generated particle samples of 64^3^ particles in a box of side 100 Mpc are followed into the non-linear regime by Bertschinger's PM N- body code. In this way we address the dependence of the structure and kinematics of the void both on the initial depth of the void and on the fluctuation field in which it is embedded. In particular, this study provides some understanding of how far fluctuations on small scales modify the dynamics of the large-scale void, and especially of how far the properties of small structures inside the void are affected by the global properties of the void. One of the conspicuous features of the initial density fields inside protovoids appears to be the existence of a `void hierarchy', with small voids embedded in larger voids. The survival of this hierarchy during the riot evolution of the void depends critically on the initial depth as well as on the clustering scenario involved. As well as presenting a qualitative discussion of the structure of underdense regions in initial density fields in different scenarios, and the results of simulations of the ensuing non-linear evolution, we concentrate in particular on a comparison of the global density and velocity fields in voids with predictions from linear theory as well as from the spherical outflow model. The relation between the initial linear depth, the resulting non-linear depth and the excess expansion velocities in voids is addressed. In addition, we find that, while near its centre a void becomes more and more spherical, the shape of its boundary is influenced to a large extent by the structures surrounding the void and therefore is generally more irregular. In this first study we concentrate on single voids in Einstein-de Sitter universes. The underdense regions considered are linear 1 σ_0_, 2 σ_0_ and 3 σ_0_ dips in fields that are Gaussian-smoothed on a scale of R_G_ = 10 h^-1^ Mpc, approximately half the size of the Bootes void. These regions are studied in terms of the Cold Dark Matter and Hot Dark Matter scenarios as well as in terms of the scale-free scenarios P(k) is proportional to k^0^, k^-1^ and k^-2^. The Hubble constant is taken to be H_0_ = 100 h km s^-1^ Mpc^-1^.

Polarization: A Key Difference between Man-made and Natural Electromagnetic Fields, in regard to Biological Activity.

PubMed

Panagopoulos, Dimitris J; Johansson, Olle; Carlo, George L

2015-10-12

In the present study we analyze the role of polarization in the biological activity of Electromagnetic Fields (EMFs)/Electromagnetic Radiation (EMR). All types of man-made EMFs/EMR - in contrast to natural EMFs/EMR - are polarized. Polarized EMFs/EMR can have increased biological activity, due to: 1) Ability to produce constructive interference effects and amplify their intensities at many locations. 2) Ability to force all charged/polar molecules and especially free ions within and around all living cells to oscillate on parallel planes and in phase with the applied polarized field. Such ionic forced-oscillations exert additive electrostatic forces on the sensors of cell membrane electro-sensitive ion channels, resulting in their irregular gating and consequent disruption of the cell's electrochemical balance. These features render man-made EMFs/EMR more bioactive than natural non-ionizing EMFs/EMR. This explains the increasing number of biological effects discovered during the past few decades to be induced by man-made EMFs, in contrast to natural EMFs in the terrestrial environment which have always been present throughout evolution, although human exposure to the latter ones is normally of significantly higher intensities/energy and longer durations. Thus, polarization seems to be a trigger that significantly increases the probability for the initiation of biological/health effects.

Polarization: A Key Difference between Man-made and Natural Electromagnetic Fields, in regard to Biological Activity

PubMed Central

Panagopoulos, Dimitris J.; Johansson, Olle; Carlo, George L.

2015-01-01

In the present study we analyze the role of polarization in the biological activity of Electromagnetic Fields (EMFs)/Electromagnetic Radiation (EMR). All types of man-made EMFs/EMR - in contrast to natural EMFs/EMR - are polarized. Polarized EMFs/EMR can have increased biological activity, due to: 1) Ability to produce constructive interference effects and amplify their intensities at many locations. 2) Ability to force all charged/polar molecules and especially free ions within and around all living cells to oscillate on parallel planes and in phase with the applied polarized field. Such ionic forced-oscillations exert additive electrostatic forces on the sensors of cell membrane electro-sensitive ion channels, resulting in their irregular gating and consequent disruption of the cell’s electrochemical balance. These features render man-made EMFs/EMR more bioactive than natural non-ionizing EMFs/EMR. This explains the increasing number of biological effects discovered during the past few decades to be induced by man-made EMFs, in contrast to natural EMFs in the terrestrial environment which have always been present throughout evolution, although human exposure to the latter ones is normally of significantly higher intensities/energy and longer durations. Thus, polarization seems to be a trigger that significantly increases the probability for the initiation of biological/health effects. PMID:26456585

Polarization: A Key Difference between Man-made and Natural Electromagnetic Fields, in regard to Biological Activity

NASA Astrophysics Data System (ADS)

Panagopoulos, Dimitris J.; Johansson, Olle; Carlo, George L.

2015-10-01

In the present study we analyze the role of polarization in the biological activity of Electromagnetic Fields (EMFs)/Electromagnetic Radiation (EMR). All types of man-made EMFs/EMR - in contrast to natural EMFs/EMR - are polarized. Polarized EMFs/EMR can have increased biological activity, due to: 1) Ability to produce constructive interference effects and amplify their intensities at many locations. 2) Ability to force all charged/polar molecules and especially free ions within and around all living cells to oscillate on parallel planes and in phase with the applied polarized field. Such ionic forced-oscillations exert additive electrostatic forces on the sensors of cell membrane electro-sensitive ion channels, resulting in their irregular gating and consequent disruption of the cell’s electrochemical balance. These features render man-made EMFs/EMR more bioactive than natural non-ionizing EMFs/EMR. This explains the increasing number of biological effects discovered during the past few decades to be induced by man-made EMFs, in contrast to natural EMFs in the terrestrial environment which have always been present throughout evolution, although human exposure to the latter ones is normally of significantly higher intensities/energy and longer durations. Thus, polarization seems to be a trigger that significantly increases the probability for the initiation of biological/health effects.

Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions.

PubMed

Kashefolgheta, Sadra; Vila Verde, Ana

2017-08-09

We present a set of Lennard-Jones parameters for classical, all-atom models of acetate and various alkylated and non-alkylated forms of sulfate, sulfonate and phosphate ions, optimized to reproduce their interactions with water and with the physiologically relevant sodium, ammonium and methylammonium cations. The parameters are internally consistent and are fully compatible with the Generalized Amber Force Field (GAFF), the AMBER force field for proteins, the accompanying TIP3P water model and the sodium model of Joung and Cheatham. The parameters were developed primarily relying on experimental information - hydration free energies and solution activity derivatives at 0.5 m concentration - with ab initio, gas phase calculations being used for the cases where experimental information is missing. The ab initio parameterization scheme presented here is distinct from other approaches because it explicitly connects gas phase binding energies to intermolecular interactions in solution. We demonstrate that the original GAFF/AMBER parameters often overestimate anion-cation interactions, leading to an excessive number of contact ion pairs in solutions of carboxylate ions, and to aggregation in solutions of divalent ions. GAFF/AMBER parameters lead to excessive numbers of salt bridges in proteins and of contact ion pairs between sodium and acidic protein groups, issues that are resolved by using the optimized parameters presented here.

Investigating the interaction between the homeostatic and circadian processes of sleep-wake regulation for the prediction of waking neurobehavioural performance

NASA Technical Reports Server (NTRS)

Van Dongen, Hans P A.; Dinges, David F.

2003-01-01

The two-process model of sleep regulation has been applied successfully to describe, predict, and understand sleep-wake regulation in a variety of experimental protocols such as sleep deprivation and forced desynchrony. A non-linear interaction between the homeostatic and circadian processes was reported when the model was applied to describe alertness and performance data obtained during forced desynchrony. This non-linear interaction could also be due to intrinsic non-linearity in the metrics used to measure alertness and performance, however. Distinguishing these possibilities would be of theoretical interest, but could also have important implications for the design and interpretation of experiments placing sleep at different circadian phases or varying the duration of sleep and/or wakefulness. Although to date no resolution to this controversy has been found, here we show that the issue can be addressed with existing data sets. The interaction between the homeostatic and circadian processes of sleep-wake regulation was investigated using neurobehavioural performance data from a laboratory experiment involving total sleep deprivation. The results provided evidence of an actual non-linear interaction between the homeostatic and circadian processes of sleep-wake regulation for the prediction of waking neurobehavioural performance.

The role of shoe design on the prediction of free torque at the shoe-surface interface using pressure insole technology.

PubMed

Weaver, Brian Thomas; Fitzsimons, Kathleen; Braman, Jerrod; Haut, Roger

2016-09-01

The goal of the current study was to expand on previous work to validate the use of pressure insole technology in conjunction with linear regression models to predict the free torque at the shoe-surface interface that is generated while wearing different athletic shoes. Three distinctly different shoe designs were utilised. The stiffness of each shoe was determined with a material's testing machine. Six participants wore each shoe that was fitted with an insole pressure measurement device and performed rotation trials on an embedded force plate. A pressure sensor mask was constructed from those sensors having a high linear correlation with free torque values. Linear regression models were developed to predict free torques from these pressure sensor data. The models were able to accurately predict their own free torque well (RMS error 3.72 ± 0.74 Nm), but not that of the other shoes (RMS error 10.43 ± 3.79 Nm). Models performing self-prediction were also able to measure differences in shoe stiffness. The results of the current study showed the need for participant-shoe specific linear regression models to insure high prediction accuracy of free torques from pressure sensor data during isolated internal and external rotations of the body with respect to a planted foot.

CLASP2: The Chromospheric LAyer Spectro-Polarimeter

NASA Technical Reports Server (NTRS)

Mckenzie, D. E.; Ishikawa, R.; Bueno, J. Trujillo; Auchere, F.; Rachmeler, L.; Kubo, M.; Kobayashi, K.; Winebarger, A.; Bethge, C.; Narukage, N.;

CLASP2: The Chromospheric LAyer Spectro-Polarimeter

NASA Technical Reports Server (NTRS)

McKenzie, D. E.; Ishikawa, R.; Bueno, J. Trujillo; Auchere, F.; Rachmeler, L; Kudo, M.; Kobayashi, K.; Winebarger, A.; Bethge, C.; Narukage, N.;

Structure formation by a fifth force: N-body versus linear simulations

NASA Astrophysics Data System (ADS)

Li, Baojiu; Zhao, Hongsheng

2009-08-01

We lay out the frameworks to numerically study the structure formation in both linear and nonlinear regimes in general dark-matter-coupled scalar field models, and give an explicit example where the scalar field serves as a dynamical dark energy. Adopting parameters of the scalar field which yield a realistic cosmic microwave background (CMB) spectrum, we generate the initial conditions for our N-body simulations, which follow the spatial distributions of the dark matter and the scalar field by solving their equations of motion using the multilevel adaptive grid technique. We show that the spatial configuration of the scalar field tracks well the voids and clusters of dark matter. Indeed, the propagation of scalar degree of freedom effectively acts as a fifth force on dark matter particles, whose range and magnitude are determined by the two model parameters (μ,γ), local dark matter density as well as the background value for the scalar field. The model behaves like the ΛCDM paradigm on scales relevant to the CMB spectrum, which are well beyond the probe of the local fifth force and thus not significantly affected by the matter-scalar coupling. On scales comparable or shorter than the range of the local fifth force, the fifth force is perfectly parallel to gravity and their strengths have a fixed ratio 2γ2 determined by the matter-scalar coupling, provided that the chameleon effect is weak; if on the other hand there is a strong chameleon effect (i.e., the scalar field almost resides at its effective potential minimum everywhere in the space), the fifth force indeed has suppressed effects in high density regions and shows no obvious correlation with gravity, which means that the dark-matter-scalar-field coupling is not simply equivalent to a rescaling of the gravitational constant or the mass of the dark matter particles. We show these spatial distributions and (lack of) correlations at typical redshifts (z=0,1,5.5) in our multigrid million-particle simulations. The viable parameters for the scalar field can be inferred on intermediate or small scales at late times from, e.g., weak lensing and phase space properties, while the predicted Hubble expansion and linearly simulated CMB spectrum are virtually indistinguishable from the standard ΛCDM predictions.

Alchemical prediction of hydration free energies for SAMPL

PubMed Central

Mobley, David L.; Liu, Shaui; Cerutti, David S.; Swope, William C.; Rice, Julia E.

2013-01-01

Hydration free energy calculations have become important tests of force fields. Alchemical free energy calculations based on molecular dynamics simulations provide a rigorous way to calculate these free energies for a particular force field, given sufficient sampling. Here, we report results of alchemical hydration free energy calculations for the set of small molecules comprising the 2011 Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenge. Our calculations are largely based on the Generalized Amber Force Field (GAFF) with several different charge models, and we achieved RMS errors in the 1.4-2.2 kcal/mol range depending on charge model, marginally higher than what we typically observed in previous studies1-5. The test set consists of ethane, biphenyl, and a dibenzyl dioxin, as well as a series of chlorinated derivatives of each. We found that, for this set, using high-quality partial charges from MP2/cc-PVTZ SCRF RESP fits provided marginally improved agreement with experiment over using AM1-BCC partial charges as we have more typically done, in keeping with our recent findings5. Switching to OPLS Lennard-Jones parameters with AM1-BCC charges also improves agreement with experiment. We also find a number of chemical trends within each molecular series which we can explain, but there are also some surprises, including some that are captured by the calculations and some that are not. PMID:22198475

ADM Analysis of gravity models within the framework of bimetric variational formalism

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

Golovnev, Alexey; Karčiauskas, Mindaugas; Nyrhinen, Hannu J., E-mail: agolovnev@yandex.ru, E-mail: mindaugas.karciauskas@helsinki.fi, E-mail: hannu.nyrhinen@helsinki.fi

2015-05-01

Bimetric variational formalism was recently employed to construct novel bimetric gravity models. In these models an affine connection is generated by an additional tensor field which is independent of the physical metric. In this work we demonstrate how the ADM decomposition can be applied to study such models and provide some technical intermediate details. Using ADM decomposition we are able to prove that a linear model is unstable as has previously been indicated by perturbative analysis. Moreover, we show that it is also very difficult if not impossible to construct a non-linear model which is ghost-free within the framework ofmore » bimetric variational formalism. However, we demonstrate that viable models are possible along similar lines of thought. To this end, we consider a set up in which the affine connection is a variation of the Levi-Civita one. As a proof of principle we construct a gravity model with a massless scalar field obtained this way.« less

Magnetic nanoparticle detection method employing non-linear magnetoimpedance effects

NASA Astrophysics Data System (ADS)

Beato-López, J. J.; Pérez-Landazábal, J. I.; Gómez-Polo, C.

2017-04-01

In this work, a sensitive tool to detect magnetic nanoparticles (Fe3O4) based on a non-linear Giant Magnetoimpedance (GMI) effect is presented. The GMI sensor is designed with four nearly zero magnetostrictive ribbons connected in series and was analysed as a function of a constant external magnetic field and exciting frequency. The influence of the magnetic nanoparticles deposited on the ribbon surface was characterized using the first (fundamental) and second (non-linear) harmonics of the magnetoinductive voltage. The results show a clear enhancement of the sensor response in the high magnetic field region (H = 1.5 kA/m) as a consequence of the stray field generated by the magnetic nanoparticles on the GMI ribbons' surface. The highest sensitivity ratios are obtained for the non-linear component in comparison with the fundamental response. The results open a new research strategy in magnetic nanoparticle detection.

The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields

PubMed Central

Karniel, Amir; Nisky, Ilana

2015-01-01

During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. PMID:25717155

The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields.

PubMed

Leib, Raz; Karniel, Amir; Nisky, Ilana

2015-05-01

During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. Copyright © 2015 the American Physiological Society.

Influence of two-stream relativistic electron beam parameters on the space-charge wave with broad frequency spectrum formation

NASA Astrophysics Data System (ADS)

Alexander, LYSENKO; Iurii, VOLK

2018-03-01

We developed a cubic non-linear theory describing the dynamics of the multiharmonic space-charge wave (SCW), with harmonics frequencies smaller than the two-stream instability critical frequency, with different relativistic electron beam (REB) parameters. The self-consistent differential equation system for multiharmonic SCW harmonic amplitudes was elaborated in a cubic non-linear approximation. This system considers plural three-wave parametric resonant interactions between wave harmonics and the two-stream instability effect. Different REB parameters such as the input angle with respect to focusing magnetic field, the average relativistic factor value, difference of partial relativistic factors, and plasma frequency of partial beams were investigated regarding their influence on the frequency spectrum width and multiharmonic SCW saturation levels. We suggested ways in which the multiharmonic SCW frequency spectrum widths could be increased in order to use them in multiharmonic two-stream superheterodyne free-electron lasers, with the main purpose of forming a powerful multiharmonic electromagnetic wave.

Measuring excess free energies of self-assembled membrane structures.

PubMed

Norizoe, Yuki; Daoulas, Kostas Ch; Müller, Marcus

2010-01-01

Using computer simulation of a solvent-free, coarse-grained model for amphiphilic membranes, we study the excess free energy of hourglass-shaped connections (i.e., stalks) between two apposed bilayer membranes. In order to calculate the free energy by simulation in the canonical ensemble, we reversibly transfer two apposed bilayers into a configuration with a stalk in three steps. First, we gradually replace the intermolecular interactions by an external, ordering field. The latter is chosen such that the structure of the non-interacting system in this field closely resembles the structure of the original, interacting system in the absence of the external field. The absence of structural changes along this path suggests that it is reversible; a fact which is confirmed by expanded-ensemble simulations. Second, the external, ordering field is changed as to transform the non-interacting system from the apposed bilayer structure to two-bilayers connected by a stalk. The final external field is chosen such that the structure of the non-interacting system resembles the structure of the stalk in the interacting system without a field. On the third branch of the transformation path, we reversibly replace the external, ordering field by non-bonded interactions. Using expanded-ensemble techniques, the free energy change along this reversible path can be obtained with an accuracy of 10(-3)k(B)T per molecule in the n VT-ensemble. Calculating the chemical potential, we obtain the free energy of a stalk in the grandcanonical ensemble, and employing semi-grandcanonical techniques, we calculate the change of the excess free energy upon altering the molecular architecture. This computational strategy can be applied to compute the free energy of self-assembled phases in lipid and copolymer systems, and the excess free energy of defects or interfaces.

Anomalous electron transport in Hall-effect thrusters: Comparison between quasi-linear kinetic theory and particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Lafleur, T.; Martorelli, R.; Chabert, P.; Bourdon, A.

2018-06-01

Kinetic drift instabilities have been implicated as a possible mechanism leading to anomalous electron cross-field transport in E × B discharges, such as Hall-effect thrusters. Such instabilities, which are driven by the large disparity in electron and ion drift velocities, present a significant challenge to modelling efforts without resorting to time-consuming particle-in-cell (PIC) simulations. Here, we test aspects of quasi-linear kinetic theory with 2D PIC simulations with the aim of developing a self-consistent treatment of these instabilities. The specific quantities of interest are the instability growth rate (which determines the spatial and temporal evolution of the instability amplitude), and the instability-enhanced electron-ion friction force (which leads to "anomalous" electron transport). By using the self-consistently obtained electron distribution functions from the PIC simulations (which are in general non-Maxwellian), we find that the predictions of the quasi-linear kinetic theory are in good agreement with the simulation results. By contrast, the use of Maxwellian distributions leads to a growth rate and electron-ion friction force that is around 2-4 times higher, and consequently significantly overestimates the electron transport. A possible method for self-consistently modelling the distribution functions without requiring PIC simulations is discussed.

The P-factor and atomic mass systematics: Application to medium mass nuclei

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

Brenner, D.S.; Haustein, P.E.; Casten, R.F.

1988-01-01

The P formalism was applied to atomic mass systematics for medium and heavy nuclei. The P-factor linearizes the structure-dependent part of the nuclear mass in those regions which are free from subshell effects indicating that the attractive quadrupole p-n force plays an important role in determining the binding of valence nucleons. Where marked non-linearities occur, the P-factor provides a means for recognizing subshell closures and/or other structural features not embodied in the simple assumptions of abrupt shell or subshell changes. These are thought to be regions where the monopole part of the p-n interaction is highly orbit dependent and altersmore » the underlying single-particle structure as a function of A, N or Z. Finally, in those regions where the systematics are smooth and subshells are absent, the P-factor provides a means for predicting masses of some nuclei far-from-stability by interpolation rather than by extrapolation. 5 figs.« less

Quantification of upper limb kinetic asymmetries in front crawl swimming.

PubMed

Morouço, Pedro G; Marinho, Daniel A; Fernandes, Ricardo J; Marques, Mário C

2015-04-01

This study aimed at quantifying upper limb kinetic asymmetries in maximal front crawl swimming and to examine if these asymmetries would affect the contribution of force exertion to swimming performance. Eighteen high level male swimmers with unilateral breathing patterns and sprint or middle distance specialists, volunteered as participants. A load-cell was used to quantify the forces exerted in water by completing a 30s maximal front crawl tethered swimming test and a maximal 50 m free swimming was considered as a performance criterion. Individual force-time curves were obtained to calculate the mean and maximum forces per cycle, for each upper limb. Following, symmetry index was estimated and breathing laterality identified by questionnaire. Lastly, the pattern of asymmetries along the test was estimated for each upper limb using linear regression of peak forces per cycle. Asymmetrical force exertion was observed in the majority of the swimmers (66.7%), with a total correspondence of breathing laterality opposite to the side of the force asymmetry. Forces exerted by the dominant upper limb presented a higher decrease than from the non-dominant. Very strong associations were found between exerted forces and swimming performance, when controlling the isolated effect of symmetry index. Results point that force asymmetries occur in the majority of the swimmers, and that these asymmetries are most evident in the first cycles of a maximum bout. Symmetry index stood up as an influencing factor on the contribution of tethered forces over swimming performance. Thus, to some extent, a certain degree of asymmetry is not critical for short swimming performance. Copyright © 2015 Elsevier B.V. All rights reserved.

Tests and applications of nonlinear force-free field extrapolations in spherical geometry

NASA Astrophysics Data System (ADS)

Guo, Y.; Ding, M. D.

2013-07-01

We test a nonlinear force-free field (NLFFF) optimization code in spherical geometry with an analytical solution from Low and Lou. The potential field source surface (PFSS) model is served as the initial and boundary conditions where observed data are not available. The analytical solution can be well recovered if the boundary and initial conditions are properly handled. Next, we discuss the preprocessing procedure for the noisy bottom boundary data, and find that preprocessing is necessary for NLFFF extrapolations when we use the observed photospheric magnetic field as bottom boundaries. Finally, we apply the NLFFF model to a solar area where four active regions interacting with each other. An M8.7 flare occurred in one active region. NLFFF modeling in spherical geometry simultaneously constructs the small and large scale magnetic field configurations better than the PFSS model does.