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

First Demonstration of Electrostatic Damping of Parametric Instability at Advanced LIGO

NASA Astrophysics Data System (ADS)

Blair, Carl; Gras, Slawek; Abbott, Richard; Aston, Stuart; Betzwieser, Joseph; Blair, David; DeRosa, Ryan; Evans, Matthew; Frolov, Valera; Fritschel, Peter; Grote, Hartmut; Hardwick, Terra; Liu, Jian; Lormand, Marc; Miller, John; Mullavey, Adam; O'Reilly, Brian; Zhao, Chunnong; Abbott, B. P.; Abbott, T. D.; Adams, C.; Adhikari, R. X.; Anderson, S. B.; Ananyeva, A.; Appert, S.; Arai, K.; Ballmer, S. W.; Barker, D.; Barr, B.; Barsotti, L.; Bartlett, J.; Bartos, I.; Batch, J. C.; Bell, A. S.; Billingsley, G.; Birch, J.; Biscans, S.; Biwer, C.; Bork, R.; Brooks, A. F.; Ciani, G.; Clara, F.; Countryman, S. T.; Cowart, M. J.; Coyne, D. C.; Cumming, A.; Cunningham, L.; Danzmann, K.; Da Silva Costa, C. F.; Daw, E. J.; DeBra, D.; DeSalvo, R.; Dooley, K. L.; Doravari, S.; Driggers, J. C.; Dwyer, S. E.; Effler, A.; Etzel, T.; Evans, T. M.; Factourovich, M.; Fair, H.; Fernández Galiana, A.; Fisher, R. P.; Fulda, P.; Fyffe, M.; Giaime, J. A.; Giardina, K. D.; Goetz, E.; Goetz, R.; Gray, C.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hall, E. D.; Hammond, G.; Hanks, J.; Hanson, J.; Harry, G. M.; Heintze, M. C.; Heptonstall, A. W.; Hough, J.; Izumi, K.; Jones, R.; Kandhasamy, S.; Karki, S.; Kasprzack, M.; Kaufer, S.; Kawabe, K.; Kijbunchoo, N.; King, E. J.; King, P. J.; Kissel, J. S.; Korth, W. Z.; Kuehn, G.; Landry, M.; Lantz, B.; Lockerbie, N. A.; Lundgren, A. P.; MacInnis, M.; Macleod, D. M.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martin, I. W.; Martynov, D. V.; Mason, K.; Massinger, T. J.; Matichard, F.; Mavalvala, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McIntyre, G.; McIver, J.; Mendell, G.; Merilh, E. L.; Meyers, P. M.; Mittleman, R.; Moreno, G.; Mueller, G.; Munch, J.; Nuttall, L. K.; Oberling, J.; Oppermann, P.; Oram, Richard J.; Ottaway, D. J.; Overmier, H.; Palamos, J. R.; Paris, H. R.; Parker, W.; Pele, A.; Penn, S.; Phelps, M.; Pierro, V.; Pinto, I.; Principe, M.; Prokhorov, L. G.; Puncken, O.; Quetschke, V.; Quintero, E. A.; Raab, F. J.; Radkins, H.; Raffai, P.; Reid, S.; Reitze, D. H.; Robertson, N. A.; Rollins, J. G.; Roma, V. J.; Romie, J. H.; Rowan, S.; Ryan, K.; Sadecki, T.; Sanchez, E. J.; Sandberg, V.; Savage, R. L.; Schofield, R. M. S.; Sellers, D.; Shaddock, D. A.; Shaffer, T. J.; Shapiro, B.; Shawhan, P.; Shoemaker, D. H.; Sigg, D.; Slagmolen, B. J. J.; Smith, B.; Smith, J. R.; Sorazu, B.; Staley, A.; Strain, K. A.; Tanner, D. B.; Taylor, R.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thrane, E.; Torrie, C. I.; Traylor, G.; Vajente, G.; Valdes, G.; van Veggel, A. A.; Vecchio, A.; Veitch, P. J.; Venkateswara, K.; Vo, T.; Vorvick, C.; Walker, M.; Ward, R. L.; Warner, J.; Weaver, B.; Weiss, R.; Weßels, P.; Willke, B.; Wipf, C. C.; Worden, J.; Wu, G.; Yamamoto, H.; Yancey, C. C.; Yu, Hang; Yu, Haocun; Zhang, L.; Zucker, M. E.; Zweizig, J.; LSC Instrument Authors

2017-04-01

Interferometric gravitational wave detectors operate with high optical power in their arms in order to achieve high shot-noise limited strain sensitivity. A significant limitation to increasing the optical power is the phenomenon of three-mode parametric instabilities, in which the laser field in the arm cavities is scattered into higher-order optical modes by acoustic modes of the cavity mirrors. The optical modes can further drive the acoustic modes via radiation pressure, potentially producing an exponential buildup. One proposed technique to stabilize parametric instability is active damping of acoustic modes. We report here the first demonstration of damping a parametrically unstable mode using active feedback forces on the cavity mirror. A 15 538 Hz mode that grew exponentially with a time constant of 182 sec was damped using electrostatic actuation, with a resulting decay time constant of 23 sec. An average control force of 0.03 nN was required to maintain the acoustic mode at its minimum amplitude.

Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field.

PubMed

Heinz, Hendrik; Lin, Tzu-Jen; Mishra, Ratan Kishore; Emami, Fateme S

2013-02-12

The complexity of the molecular recognition and assembly of biotic-abiotic interfaces on a scale of 1 to 1000 nm can be understood more effectively using simulation tools along with laboratory instrumentation. We discuss the current capabilities and limitations of atomistic force fields and explain a strategy to obtain dependable parameters for inorganic compounds that has been developed and tested over the past decade. Parameter developments include several silicates, aluminates, metals, oxides, sulfates, and apatites that are summarized in what we call the INTERFACE force field. The INTERFACE force field operates as an extension of common harmonic force fields (PCFF, COMPASS, CHARMM, AMBER, GROMACS, and OPLS-AA) by employing the same functional form and combination rules to enable simulations of inorganic-organic and inorganic-biomolecular interfaces. The parametrization builds on an in-depth understanding of physical-chemical properties on the atomic scale to assign each parameter, especially atomic charges and van der Waals constants, as well as on the validation of macroscale physical-chemical properties for each compound in comparison to measurements. The approach eliminates large discrepancies between computed and measured bulk and surface properties of up to 2 orders of magnitude using other parametrization protocols and increases the transferability of the parameters by introducing thermodynamic consistency. As a result, a wide range of properties can be computed in quantitative agreement with experiment, including densities, surface energies, solid-water interface tensions, anisotropies of interfacial energies of different crystal facets, adsorption energies of biomolecules, and thermal and mechanical properties. Applications include insight into the assembly of inorganic-organic multiphase materials, the recognition of inorganic facets by biomolecules, growth and shape preferences of nanocrystals and nanoparticles, as well as thermal transitions and nanomechanics. Limitations and opportunities for further development are also described.

Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

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

Kelley, Anne Myers

Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies formore » the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.« less

Force-field parametrization and molecular dynamics simulations of Congo red

NASA Astrophysics Data System (ADS)

Król, Marcin; Borowski, Tomasz; Roterman, Irena; Piekarska, Barbara; Stopa, Barbara; Rybarska, Joanna; Konieczny, Leszek

2004-01-01

Congo red, a diazo dye widely used in medical diagnosis, is known to form supramolecular systems in solution. Such a supramolecular system may interact with various proteins. In order to examine the nature of such complexes empirical force field parameters for the Congo red molecule were developed. The parametrization of bonding terms closely followed the methodology used in the development of the charmm22 force field, except for the calculation of charges. Point charges were calculated from a fit to a quantum mechanically derived electrostatic potential using the CHELP-BOW method. Obtained parameters were tested in a series of molecular dynamics simulations of both a single molecule and a micelle composed of Congo red molecules. It is shown that newly developed parameters define a stable minimum on the hypersurface of the potential energy and crystal and ab initio geometries and rotational barriers are well reproduced. Furthermore, rotations around C-N bonds are similar to torsional vibrations observed in crystals of diphenyl-diazene, which confirms that the flexibility of the molecule is correct. Comparison of results obtained from micelles molecular dynamics simulations with experimental data shows that the thermal dependence of micelle creation is well reproduced.

Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics

PubMed Central

Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.

2015-01-01

Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208

Parametrization of 2,2,2-trifluoroethanol based on the generalized AMBER force field provides realistic agreement between experimental and calculated properties of pure liquid as well as water-mixed solutions.

PubMed

Vymětal, Jiří; Vondrášek, Jiří

2014-09-04

We present a novel force field model of 2,2,2-trifluoroethanol (TFE) based on the generalized AMBER force field. The model was exhaustively parametrized to reproduce liquid-state properties of pure TFE, namely, density, enthalpy of vaporization, self-diffusion coefficient, and population of trans and gauche conformers. The model predicts excellently other liquid-state properties such as shear viscosity, thermal expansion coefficient, and isotropic compressibility. The resulting model describes unexpectedly well the state equation of the liquid region in the range of 100 K and 10 MPa. More importantly, the proposed TFE model was optimized for use in combination with the TIP4P/Ew and TIP4P/2005 water models. It does not manifest excessive aggregation, which is known for other models, and therefore, it is supposed to more realistically describe the behavior of TFE/water mixtures. This was demonstrated by means of the Kirkwood-Buff theory of solutions and reasonable agreement with experimental data. We explored a considerable part of the parameter space and systematically tested individual combinations of parameters for performance in combination with the TIP4P/Ew and TIP4P/2005 water models. We observed ambiguity in parameters describing pure liquid TFE; however, most of them failed for TFE/water mixtures. We clearly demonstrated the necessity for balanced TFE-TFE, TFE-water, and water-water interactions which can be acquired only by employing implicit polarization correction in the course of parametrization.

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

PubMed Central

Vanommeslaeghe, K.

2014-01-01

Background Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. Scope of Review As one of the main factors limiting the accuracy of MD results is the empirical force field used, the present paper offers a review of recent developments in the CHARMM additive force field, one of the most popular bimolecular force fields. Additionally, we present a detailed discussion of the CHARMM Drude polarizable force field, anticipating a growth in the importance and utilization of polarizable force fields in the near future. Throughout the discussion emphasis is placed on the force fields’ parametrization philosophy and methodology. Major Conclusions Recent improvements in the CHARMM additive force field are mostly related to newly found weaknesses in the previous generation of additive force fields. Beyond the additive approximation is the newly available CHARMM Drude polarizable force field, which allows for MD simulations of up to 1 microsecond on proteins, DNA, lipids and carbohydrates. General Significance Addressing the limitations ensures the reliability of the new CHARMM36 additive force field for the types of calculations that are presently coming into routine computational reach while the availability of the Drude polarizable force fields offers a model that is an inherently more accurate model of the underlying physical forces driving macromolecular structures and dynamics. PMID:25149274

Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

PubMed

Bandura, A V; Sofo, J O; Kubicki, J D

2006-04-27

Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well.

Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields.

PubMed

Kamath, Ganesh; Kurnikov, Igor; Fain, Boris; Leontyev, Igor; Illarionov, Alexey; Butin, Oleg; Olevanov, Michael; Pereyaslavets, Leonid

2016-11-01

We present the performance of blind predictions of water-cyclohexane distribution coefficients for 53 drug-like compounds in the SAMPL5 challenge by three methods currently in use within our group. Two of them utilize QMPFF3 and ARROW, polarizable force-fields of varying complexity, and the third uses the General Amber Force-Field (GAFF). The polarizable FF's are implemented in an in-house MD package, Arbalest. We find that when we had time to parametrize the functional groups with care (batch 0), the polarizable force-fields outperformed the non-polarizable one. Conversely, on the full set of 53 compounds, GAFF performed better than both QMPFF3 and ARROW. We also describe the torsion-restrain method we used to improve sampling of molecular conformational space and thus the overall accuracy of prediction. The SAMPL5 challenge highlighted several drawbacks of our force-fields, such as our significant systematic over-estimation of hydrophobic interactions, specifically for alkanes and aromatic rings.

Improved Force Fields for Peptide Nucleic Acids with Optimized Backbone Torsion Parameters.

PubMed

Jasiński, Maciej; Feig, Michael; Trylska, Joanna

2018-06-06

Peptide nucleic acids are promising nucleic acid analogs for antisense therapies as they can form stable duplex and triplex structures with DNA and RNA. Computational studies of PNA-containing duplexes and triplexes are an important component for guiding their design, yet existing force fields have not been well validated and parametrized with modern computational capabilities. We present updated CHARMM and Amber force fields for PNA that greatly improve the stability of simulated PNA-containing duplexes and triplexes in comparison with experimental structures and allow such systems to be studied on microsecond time scales. The force field modifications focus on reparametrized PNA backbone torsion angles to match high-level quantum mechanics reference energies for a model compound. The microsecond simulations of PNA-PNA, PNA-DNA, PNA-RNA, and PNA-DNA-PNA complexes also allowed a comprehensive analysis of hydration and ion interactions with such systems.

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design.

PubMed

Vanommeslaeghe, K; MacKerell, A D

2015-05-01

Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. As one of the main factors limiting the accuracy of MD results is the empirical force field used, the present paper offers a review of recent developments in the CHARMM additive force field, one of the most popular biomolecular force fields. Additionally, we present a detailed discussion of the CHARMM Drude polarizable force field, anticipating a growth in the importance and utilization of polarizable force fields in the near future. Throughout the discussion emphasis is placed on the force fields' parametrization philosophy and methodology. Recent improvements in the CHARMM additive force field are mostly related to newly found weaknesses in the previous generation of additive force fields. Beyond the additive approximation is the newly available CHARMM Drude polarizable force field, which allows for MD simulations of up to 1μs on proteins, DNA, lipids and carbohydrates. Addressing the limitations ensures the reliability of the new CHARMM36 additive force field for the types of calculations that are presently coming into routine computational reach while the availability of the Drude polarizable force fields offers an inherently more accurate model of the underlying physical forces driving macromolecular structures and dynamics. This article is part of a Special Issue entitled "Recent developments of molecular dynamics". Copyright © 2014 Elsevier B.V. All rights reserved.

A Parametric Approach to Numerical Modeling of TKR Contact Forces

PubMed Central

Lundberg, Hannah J.; Foucher, Kharma C.; Wimmer, Markus A.

2009-01-01

In vivo knee contact forces are difficult to determine using numerical methods because there are more unknown forces than equilibrium equations available. We developed parametric methods for computing contact forces across the knee joint during the stance phase of level walking. Three-dimensional contact forces were calculated at two points of contact between the tibia and the femur, one on the lateral aspect of the tibial plateau, and one on the medial side. Muscle activations were parametrically varied over their physiologic range resulting in a solution space of contact forces. The obtained solution space was reasonably small and the resulting force pattern compared well to a previous model from the literature for kinematics and external kinetics from the same patient. Peak forces of the parametric model and the previous model were similar for the first half of the stance phase, but differed for the second half. The previous model did not take into account the transverse external moment about the knee and could not calculate muscle activation levels. Ultimately, the parametric model will result in more accurate contact force inputs for total knee simulators, as current inputs are not generally based on kinematics and kinetics inputs from TKR patients. PMID:19155015

Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

PubMed

Lemkul, Justin A; MacKerell, Alexander D

2017-05-09

Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

PubMed

Kutateladze, Andrei G; Mukhina, Olga A

2014-09-05

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II)

NASA Astrophysics Data System (ADS)

David, Laurent; Amara, Patricia; Field, Martin J.; Major, François

2002-08-01

Although techniques for the simulation of biomolecules, such as proteins and RNAs, have greatly advanced in the last decade, modeling complexes of biomolecules with metal ions remains problematic. Precise calculations can be done with quantum mechanical methods but these are prohibitive for systems the size of macromolecules. More qualitative modeling can be done with molecular mechanical potentials but the parametrization of force fields for metals is often difficult, particularly if the bonding between the metal and the groups in its coordination shell has significant covalent character. In this paper we present a method for deriving bond and bond-angle parameters for metal complexes from experimental bond and bond-angle distributions obtained from the Cambridge Structural Database. In conjunction with this method, we also introduce a non-standard energy term of gaussian form that allows us to obtain a stable description of the coordination about a metal center during a simulation. The method was evaluated on Fe(II)-porphyrin complexes, on simple Cu(II) ion complexes and a number of complexes of the Pb(II) ion.

Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field

NASA Astrophysics Data System (ADS)

Liwo, Adam; Czaplewski, Cezary; Pillardy, Jarosław; Scheraga, Harold A.

2001-08-01

A general method to derive site-site or united-residue potentials is presented. The basic principle of the method is the separation of the degrees of freedom of a system into the primary and secondary ones. The primary degrees of freedom describe the basic features of the system, while the secondary ones are averaged over when calculating the potential of mean force, which is hereafter referred to as the restricted free energy (RFE) function. The RFE can be factored into one-, two-, and multibody terms, using the cluster-cumulant expansion of Kubo. These factors can be assigned the functional forms of the corresponding lowest-order nonzero generalized cumulants, which can, in most cases, be evaluated analytically, after making some simplifying assumptions. This procedure to derive coarse-grain force fields is very valuable when applied to multibody terms, whose functional forms are hard to deduce in another way (e.g., from structural databases). After the functional forms have been derived, they can be parametrized based on the RFE surfaces of model systems obtained from all-atom models or on the statistics derived from structural databases. The approach has been applied to our united-residue force field for proteins. Analytical expressions were derived for the multibody terms pertaining to the correlation between local and electrostatic interactions within the polypeptide backbone; these expressions correspond to up to sixth-order terms in the cumulant expansion of the RFE. These expressions were subsequently parametrized by fitting to the RFEs of selected peptide fragments, calculated with the empirical conformational energy program for peptides force field. The new multibody terms enable not only the heretofore predictable α-helical segments, but also regular β-sheets, to form as the lowest-energy structures, as assessed by test calculations on a model helical protein A, as well as a model 20-residue polypeptide (betanova); the latter was not possible without introducing these new terms.

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride).

PubMed

Lachet, V; Teuler, J-M; Rousseau, B

2015-01-08

A classical all-atoms force field for molecular simulations of hydrofluorocarbons (HFCs) has been developed. Lennard-Jones force centers plus point charges are used to represent dispersion-repulsion and electrostatic interactions. Parametrization of this force field has been performed iteratively using three target properties of pentafluorobutane: the quantum energy of an isolated molecule, the dielectric constant in the liquid phase, and the compressed liquid density. The accuracy and transferability of this new force field has been demonstrated through the simulation of different thermophysical properties of several fluorinated compounds, showing significant improvements compared to existing models. This new force field has been applied to study solubilities of several gases in poly(vinylidene fluoride) (PVDF) above the melting temperature of this polymer. The solubility of CH4, CO2, H2S, H2, N2, O2, and H2O at infinite dilution has been computed using test particle insertions in the course of a NpT hybrid Monte Carlo simulation. For CH4, CO2, and their mixtures, some calculations beyond the Henry regime have also been performed using hybrid Monte Carlo simulations in the osmotic ensemble, allowing both swelling and solubility determination. An ideal mixing behavior is observed, with identical solubility coefficients in the mixtures and in pure gas systems.

Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.

PubMed

Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

2013-10-08

We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.

Transferable Force Field for Metal–Organic Frameworks from First-Principles: BTW-FF

PubMed Central

2014-01-01

We present an ab-initio derived force field to describe the structural and mechanical properties of metal–organic frameworks (or coordination polymers). The aim is a transferable interatomic potential that can be applied to MOFs regardless of metal or ligand identity. The initial parametrization set includes MOF-5, IRMOF-10, IRMOF-14, UiO-66, UiO-67, and HKUST-1. The force field describes the periodic crystal and considers effective atomic charges based on topological analysis of the Bloch states of the extended materials. Transferable potentials were developed for the four organic ligands comprising the test set and for the associated Cu, Zn, and Zr metal nodes. The predicted materials properties, including bulk moduli and vibrational frequencies, are in agreement with explicit density functional theory calculations. The modal heat capacity and lattice thermal expansion are also predicted. PMID:25574157

More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization

NASA Astrophysics Data System (ADS)

Bereau, Tristan; Wang, Zun-Jing; Deserno, Markus

2014-03-01

Interfacial systems are at the core of fascinating phenomena in many disciplines, such as biochemistry, soft-matter physics, and food science. However, the parametrization of accurate, reliable, and consistent coarse-grained (CG) models for systems at interfaces remains a challenging endeavor. In the present work, we explore to what extent two independently developed solvent-free CG models of peptides and lipids—of different mapping schemes, parametrization methods, target functions, and validation criteria—can be combined by only tuning the cross-interactions. Our results show that the cross-parametrization can reproduce a number of structural properties of membrane peptides (for example, tilt and hydrophobic mismatch), in agreement with existing peptide-lipid CG force fields. We find encouraging results for two challenging biophysical problems: (i) membrane pore formation mediated by the cooperative action of several antimicrobial peptides, and (ii) the insertion and folding of the helix-forming peptide WALP23 in the membrane.

Parametric study of an acoustic levitation system. [for thermophysical properties determination of nonmetal materials

NASA Technical Reports Server (NTRS)

Oran, W. A.; Berge, L. H.; Parker, H. W.

1980-01-01

The performance of an acoustic levitation system designed for the containerless processing of materials and consisting of a St. Clair generator and a reflector arranged in a six-axis configuration, is examined in order to define critical parameters of high-temperature systems and limitations of earth-based devices. The fields and forces along the axis of the system are measured and the forces are plotted versus body volume. It is found that for a range of shapes and sizes the levitation force is roughly proportional to body volume until the characteristic 'diameter' reaches a value of about lambda/2. A significant (i.e., factor of four) enhancement in the levitation force is obtained by curving the faces of the driver and reflector. In addition, the behavior of liquid materials in the acoustic fields is studied, and the radius at which the deformation of a levitated drop occurs is calculated.

Transient multi-physics analysis of a magnetorheological shock absorber with the inverse Jiles-Atherton hysteresis model

NASA Astrophysics Data System (ADS)

Zheng, Jiajia; Li, Yancheng; Li, Zhaochun; Wang, Jiong

2015-10-01

This paper presents multi-physics modeling of an MR absorber considering the magnetic hysteresis to capture the nonlinear relationship between the applied current and the generated force under impact loading. The magnetic field, temperature field, and fluid dynamics are represented by the Maxwell equations, conjugate heat transfer equations, and Navier-Stokes equations. These fields are coupled through the apparent viscosity and the magnetic force, both of which in turn depend on the magnetic flux density and the temperature. Based on a parametric study, an inverse Jiles-Atherton hysteresis model is used and implemented for the magnetic field simulation. The temperature rise of the MR fluid in the annular gap caused by core loss (i.e. eddy current loss and hysteresis loss) and fluid motion is computed to investigate the current-force behavior. A group of impulsive tests was performed for the manufactured MR absorber with step exciting currents. The numerical and experimental results showed good agreement, which validates the effectiveness of the proposed multi-physics FEA model.

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

Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

PubMed Central

2015-01-01

Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedure for balancing the electrostatic interactions between ions, water, and DNA as required for development of the Drude force field for DNA. The proper balance of these interactions is shown to impact DNA stability and subtler conformational properties, including the conformational equilibrium between the BI and BII states, and the A and B forms of DNA. The parametrization efforts were simultaneously guided by gas-phase quantum mechanics (QM) data on small model compounds and condensed-phase experimental data on the hydration and osmotic properties of biologically relevant ions and their solutions, as well as theoretical predictions for ionic distribution around DNA oligomer. In addition, fine-tuning of the internal base parameters was performed to obtain the final DNA model. Notably, the Drude model is shown to more accurately reproduce counterion condensation theory predictions of DNA charge neutralization by the condensed ions as compared to the CHARMM36 additive DNA force field, indicating an improved physical description of the forces dictating the ionic solvation of DNA due to the explicit treatment of electronic polarizability. In combination with the polarizable DNA force field, the availability of Drude polarizable parameters for proteins, lipids, and carbohydrates will allow for simulation studies of heterogeneous biological systems. PMID:24874104

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

PubMed Central

2013-01-01

The accelerated molecular dynamics (aMD) method has recently been shown to enhance the sampling of biomolecules in molecular dynamics (MD) simulations, often by several orders of magnitude. Here, we describe an implementation of the aMD method for the OpenMM application layer that takes full advantage of graphics processing units (GPUs) computing. The aMD method is shown to work in combination with the AMOEBA polarizable force field (AMOEBA-aMD), allowing the simulation of long time-scale events with a polarizable force field. Benchmarks are provided to show that the AMOEBA-aMD method is efficiently implemented and produces accurate results in its standard parametrization. For the BPTI protein, we demonstrate that the protein structure described with AMOEBA remains stable even on the extended time scales accessed at high levels of accelerations. For the DNA repair metalloenzyme endonuclease IV, we show that the use of the AMOEBA force field is a significant improvement over fixed charged models for describing the enzyme active-site. The new AMOEBA-aMD method is publicly available (http://wiki.simtk.org/openmm/VirtualRepository) and promises to be interesting for studying complex systems that can benefit from both the use of a polarizable force field and enhanced sampling. PMID:24634618

Stick balancing with reflex delay in case of parametric forcing

NASA Astrophysics Data System (ADS)

Insperger, Tamas

2011-04-01

The effect of parametric forcing on a PD control of an inverted pendulum is analyzed in the presence of feedback delay. The stability of the time-periodic and time-delayed system is determined numerically using the first-order semi-discretization method in the 5-dimensional parameter space of the pendulum's length, the forcing frequency, the forcing amplitude, the proportional and the differential gains. It is shown that the critical length of the pendulum (that can just be balanced against the time-delay) can significantly be decreased by parametric forcing even if the maximum forcing acceleration is limited. The numerical analysis showed that the critical stick length about 30 cm corresponding to the unforced system with reflex delay 0.1 s can be decreased to 18 cm with keeping maximum acceleration below the gravitational acceleration.

Comment on 'Parametrization of Stillinger-Weber potential based on a valence force field model: application to single-layer MoS2 and black phosphorus'.

PubMed

Midtvedt, Daniel; Croy, Alexander

2016-06-10

We compare the simplified valence-force model for single-layer black phosphorus with the original model and recent ab initio results. Using an analytic approach and numerical calculations we find that the simplified model yields Young's moduli that are smaller compared to the original model and are almost a factor of two smaller than ab initio results. Moreover, the Poisson ratios are an order of magnitude smaller than values found in the literature.

Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation Approach.

PubMed

Stroet, Martin; Koziara, Katarzyna B; Malde, Alpeshkumar K; Mark, Alan E

2017-12-12

A general method for parametrizing atomic interaction functions is presented. The method is based on an analysis of surfaces corresponding to the difference between calculated and target data as a function of alternative combinations of parameters (parameter space mapping). The consideration of surfaces in parameter space as opposed to local values or gradients leads to a better understanding of the relationships between the parameters being optimized and a given set of target data. This in turn enables for a range of target data from multiple molecules to be combined in a robust manner and for the optimal region of parameter space to be trivially identified. The effectiveness of the approach is illustrated by using the method to refine the chlorine 6-12 Lennard-Jones parameters against experimental solvation free enthalpies in water and hexane as well as the density and heat of vaporization of the liquid at atmospheric pressure for a set of 10 aromatic-chloro compounds simultaneously. Single-step perturbation is used to efficiently calculate solvation free enthalpies for a wide range of parameter combinations. The capacity of this approach to parametrize accurate and transferrable force fields is discussed.

Zero- vs. one-dimensional, parametric vs. non-parametric, and confidence interval vs. hypothesis testing procedures in one-dimensional biomechanical trajectory analysis.

PubMed

Pataky, Todd C; Vanrenterghem, Jos; Robinson, Mark A

2015-05-01

Biomechanical processes are often manifested as one-dimensional (1D) trajectories. It has been shown that 1D confidence intervals (CIs) are biased when based on 0D statistical procedures, and the non-parametric 1D bootstrap CI has emerged in the Biomechanics literature as a viable solution. The primary purpose of this paper was to clarify that, for 1D biomechanics datasets, the distinction between 0D and 1D methods is much more important than the distinction between parametric and non-parametric procedures. A secondary purpose was to demonstrate that a parametric equivalent to the 1D bootstrap exists in the form of a random field theory (RFT) correction for multiple comparisons. To emphasize these points we analyzed six datasets consisting of force and kinematic trajectories in one-sample, paired, two-sample and regression designs. Results showed, first, that the 1D bootstrap and other 1D non-parametric CIs were qualitatively identical to RFT CIs, and all were very different from 0D CIs. Second, 1D parametric and 1D non-parametric hypothesis testing results were qualitatively identical for all six datasets. Last, we highlight the limitations of 1D CIs by demonstrating that they are complex, design-dependent, and thus non-generalizable. These results suggest that (i) analyses of 1D data based on 0D models of randomness are generally biased unless one explicitly identifies 0D variables before the experiment, and (ii) parametric and non-parametric 1D hypothesis testing provide an unambiguous framework for analysis when one׳s hypothesis explicitly or implicitly pertains to whole 1D trajectories. Copyright © 2015 Elsevier Ltd. All rights reserved.

Multipolar Ewald Methods, 2: Applications Using a Quantum Mechanical Force Field

PubMed Central

2015-01-01

A fully quantum mechanical force field (QMFF) based on a modified “divide-and-conquer” (mDC) framework is applied to a series of molecular simulation applications, using a generalized Particle Mesh Ewald method extended to multipolar charge densities. Simulation results are presented for three example applications: liquid water, p-nitrophenylphosphate reactivity in solution, and crystalline N,N-dimethylglycine. Simulations of liquid water using a parametrized mDC model are compared to TIP3P and TIP4P/Ew water models and experiment. The mDC model is shown to be superior for cluster binding energies and generally comparable for bulk properties. Examination of the dissociative pathway for dephosphorylation of p-nitrophenylphosphate shows that the mDC method evaluated with the DFTB3/3OB and DFTB3/OPhyd semiempirical models bracket the experimental barrier, whereas DFTB2 and AM1/d-PhoT QM/MM simulations exhibit deficiencies in the barriers, the latter for which is related, in part, to the anomalous underestimation of the p-nitrophenylate leaving group pKa. Simulations of crystalline N,N-dimethylglycine are performed and the overall structure and atomic fluctuations are compared with the experiment and the general AMBER force field (GAFF). The QMFF, which was not parametrized for this application, was shown to be in better agreement with crystallographic data than GAFF. Our simulations highlight some of the application areas that may benefit from using new QMFFs, and they demonstrate progress toward the development of accurate QMFFs using the recently developed mDC framework. PMID:25691830

Strong quantum squeezing of mechanical resonator via parametric amplification and coherent feedback

NASA Astrophysics Data System (ADS)

You, Xiang; Li, Zongyang; Li, Yongmin

2017-12-01

A scheme to achieve strong quantum squeezing of a mechanical resonator in a membrane-in-the-middle optomechanical system is developed. To this end, simultaneous linear and nonlinear coupling between the mechanical resonator and the cavity modes is applied. A two-tone driving light field, comprising unequal red-detuned and blue-detuned sidebands, helps in generating a coherent feedback force through the linear coupling with the membrane resonator. Another driving light field with its amplitude modulated at twice the mechanical frequency drives the mechanical parametric amplification through a second-order coupling with the resonator. The combined effect produces strong quantum squeezing of the mechanical state. The proposed scheme is quite robust to excess second-order coupling observed in coherent feedback operations and can suppress the fluctuations in the mechanical quadrature to far below the zero point and achieve strong squeezing (greater than 10 dB) for realistic parameters.

MCPB.py: A Python Based Metal Center Parameter Builder.

PubMed

Li, Pengfei; Merz, Kenneth M

2016-04-25

MCPB.py, a python based metal center parameter builder, has been developed to build force fields for the simulation of metal complexes employing the bonded model approach. It has an optimized code structure, with far fewer required steps than the previous developed MCPB program. It supports various AMBER force fields and more than 80 metal ions. A series of parametrization schemes to derive force constants and charge parameters are available within the program. We give two examples (one metalloprotein example and one organometallic compound example), indicating the program's ability to build reliable force fields for different metal ion containing complexes. The original version was released with AmberTools15. It is provided via the GNU General Public License v3.0 (GNU_GPL_v3) agreement and is free to download and distribute. MCPB.py provides a bridge between quantum mechanical calculations and molecular dynamics simulation software packages thereby enabling the modeling of metal ion centers. It offers an entry into simulating metal ions in a number of situations by providing an efficient way for researchers to handle the vagaries and difficulties associated with metal ion modeling.

Numerical investigation of hypersonic exhaust plume/afterbody flow fields

NASA Astrophysics Data System (ADS)

Edwards, T. A.

An upwind, implicit Navier-Stokes computer program has been applied to hypersonic exhaust plume/afterbody flowfields. The sensitivity of gross thrust to operating conditions has been assessed through parametric variations. Comparison of the numerical results with available experimental data shows good agreement in all cases investigated. Results show that, for moderately underexpanded jets, the afterbody force varies linearly with the nozzle exit pressure. Exhaust gases with low isentropic exponents (gamma) were found to contribute up to 25 percent more afterbody force than high-gamma exhaust gases. Modifying the nozzle geometry influenced the exhaust plume development, which had a significant effect on the afterbody force. Grid density, while important to resolving the initial plume/afterbody interaction, had only a minor impact on the resultant afterbody force.

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.

Enhanced force sensitivity and noise squeezing in an electromechanical resonator coupled to a nanotransistor

NASA Astrophysics Data System (ADS)

Mahboob, I.; Flurin, E.; Nishiguchi, K.; Fujiwara, A.; Yamaguchi, H.

2010-12-01

A nanofield-effect transistor (nano-FET) is coupled to a massive piezoelectricity based electromechanical resonator integrated with a parametric amplifier. The mechanical parametric amplifier can enhance the resonator's displacement and the resulting electrical signal is further amplified by the nano-FET. This hybrid amplification scheme yields an increase in the mechanical displacement signal by 70 dB resulting in a force sensitivity of 200 aN Hz-1/2 at 3 K. The mechanical parametric amplifier can also squeeze the displacement noise in one oscillation phase by 5 dB enabling a factor of 4 reduction in the thermomechanical noise force level.

Biological Parametric Mapping: A Statistical Toolbox for Multi-Modality Brain Image Analysis

PubMed Central

Casanova, Ramon; Ryali, Srikanth; Baer, Aaron; Laurienti, Paul J.; Burdette, Jonathan H.; Hayasaka, Satoru; Flowers, Lynn; Wood, Frank; Maldjian, Joseph A.

2006-01-01

In recent years multiple brain MR imaging modalities have emerged; however, analysis methodologies have mainly remained modality specific. In addition, when comparing across imaging modalities, most researchers have been forced to rely on simple region-of-interest type analyses, which do not allow the voxel-by-voxel comparisons necessary to answer more sophisticated neuroscience questions. To overcome these limitations, we developed a toolbox for multimodal image analysis called biological parametric mapping (BPM), based on a voxel-wise use of the general linear model. The BPM toolbox incorporates information obtained from other modalities as regressors in a voxel-wise analysis, thereby permitting investigation of more sophisticated hypotheses. The BPM toolbox has been developed in MATLAB with a user friendly interface for performing analyses, including voxel-wise multimodal correlation, ANCOVA, and multiple regression. It has a high degree of integration with the SPM (statistical parametric mapping) software relying on it for visualization and statistical inference. Furthermore, statistical inference for a correlation field, rather than a widely-used T-field, has been implemented in the correlation analysis for more accurate results. An example with in-vivo data is presented demonstrating the potential of the BPM methodology as a tool for multimodal image analysis. PMID:17070709

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment.

PubMed

Henriques, João; Cragnell, Carolina; Skepö, Marie

2015-07-14

An increasing number of studies using molecular dynamics (MD) simulations of unfolded and intrinsically disordered proteins (IDPs) suggest that current force fields sample conformations that are overly collapsed. Here, we study the applicability of several state-of-the-art MD force fields, of the AMBER and GROMOS variety, for the simulation of Histatin 5, a short (24 residues) cationic salivary IDP with antimicrobial and antifungal properties. The quality of the simulations is assessed in three complementary analyses: (i) protein shape and size comparison with recent experimental small-angle X-ray scattering data; (ii) secondary structure prediction; (iii) energy landscape exploration and conformational class analysis. Our results show that, indeed, standard force fields sample conformations that are too compact, being systematically unable to reproduce experimental evidence such as the scattering function, the shape of the protein as compared with the Kratky plot, and intrapeptide distances obtained through the pair distance distribution function, p(r). The consistency of this deviation suggests that the problem is not mainly due to protein-protein or water-water interactions, whose parametrization varies the most between force fields and water models. In fact, as originally proposed in [ Best et al. J. Chem. Theory Comput. 2014, 10, 5113 - 5124.], balanced protein-water interactions may be the key to solving this problem. Our simulations using this approach produce results in very good agreement with experiment.

Modelling present-day basal melt rates for Antarctic ice shelves using a parametrization of buoyant meltwater plumes

NASA Astrophysics Data System (ADS)

Lazeroms, Werner M. J.; Jenkins, Adrian; Hilmar Gudmundsson, G.; van de Wal, Roderik S. W.

2018-01-01

Basal melting below ice shelves is a major factor in mass loss from the Antarctic Ice Sheet, which can contribute significantly to possible future sea-level rise. Therefore, it is important to have an adequate description of the basal melt rates for use in ice-dynamical models. Most current ice models use rather simple parametrizations based on the local balance of heat between ice and ocean. In this work, however, we use a recently derived parametrization of the melt rates based on a buoyant meltwater plume travelling upward beneath an ice shelf. This plume parametrization combines a non-linear ocean temperature sensitivity with an inherent geometry dependence, which is mainly described by the grounding-line depth and the local slope of the ice-shelf base. For the first time, this type of parametrization is evaluated on a two-dimensional grid covering the entire Antarctic continent. In order to apply the essentially one-dimensional parametrization to realistic ice-shelf geometries, we present an algorithm that determines effective values for the grounding-line depth and basal slope in any point beneath an ice shelf. Furthermore, since detailed knowledge of temperatures and circulation patterns in the ice-shelf cavities is sparse or absent, we construct an effective ocean temperature field from observational data with the purpose of matching (area-averaged) melt rates from the model with observed present-day melt rates. Our results qualitatively replicate large-scale observed features in basal melt rates around Antarctica, not only in terms of average values, but also in terms of the spatial pattern, with high melt rates typically occurring near the grounding line. The plume parametrization and the effective temperature field presented here are therefore promising tools for future simulations of the Antarctic Ice Sheet requiring a more realistic oceanic forcing.

Parametric Cooling of Ultracold Atoms

NASA Astrophysics Data System (ADS)

Boguslawski, Matthew; Bharath, H. M.; Barrios, Maryrose; Chapman, Michael

2017-04-01

An oscillator is characterized by a restoring force which determines the natural frequency at which oscillations occur. The amplitude and phase-noise of these oscillations can be amplified or squeezed by modulating the magnitude of this force (e.g. the stiffness of the spring) at twice the natural frequency. This is parametric excitation; a long-studied phenomena in both the classical and quantum regimes. Parametric cooling, or the parametric squeezing of thermo-mechanical noise in oscillators has been studied in micro-mechanical oscillators and trapped ions. We study parametric cooling in ultracold atoms. This method shows a modest reduction of the variance of atomic momenta, and can be easily employed with pre-existing controls in many experiments. Parametric cooling is comparable to delta-kicked cooling, sharing similar limitations. We expect this cooling to find utility in microgravity experiments where the experiment duration is limited by atomic free expansion.

Thermal preparation of an entangled steady state of distant driven spin ensembles

NASA Astrophysics Data System (ADS)

Teper, Natalia

2018-02-01

Entanglement properties are studied in the continuous-variable system of three nitrogen-vacancy center ensembles cou-pled to separate transmission line resonators interconnected by current-biased Josephson junction. The circuit is enhanced by Josephson parametric amplifier, which serves as source of squeezed microwave field. Bosonic modes of nitrogen-vacancy-center ensembles exhibit steady state entanglement for certain range of parameters. Squeezed microwave field can be consider as a driving force of entanglement. Proposed scheme provides generating entanglement for each of the three pairs of spin ensembles.

Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations.

PubMed

Köster, Andreas; Spura, Thomas; Rutkai, Gábor; Kessler, Jan; Wiebeler, Hendrik; Vrabec, Jadran; Kühne, Thomas D

2016-07-15

The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting thermodynamic properties, they are nevertheless much more accurate than generally appreciated in reproducing the structure of liquid water and in fact superseding most of the commonly used empirical water models. This development demonstrates the feasibility to routinely parametrize computationally efficient yet predictive potential energy functions based on accurate ab initio molecular dynamics simulations for a large variety of different systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Parametric Investigation of Liquid Jets in Low Gravity

NASA Technical Reports Server (NTRS)

Chato, David J.

2005-01-01

An axisymmetric phase field model is developed and used to model surface tension forces on liquid jets in microgravity. The previous work in this area is reviewed and a baseline drop tower experiment selected for model comparison. This paper uses the model to parametrically investigate the influence of key parameters on the geysers formed by jets in microgravity. Investigation of the contact angle showed the expected trend of increasing contact angle increasing geyser height. Investigation of the tank radius showed some interesting effects and demonstrated the zone of free surface deformation is quite large. Variation of the surface tension with a laminar jet showed clearly the evolution of free surface shape with Weber number. It predicted a breakthrough Weber number of 1.

Rayleigh-type parametric chemical oscillation.

PubMed

Ghosh, Shyamolina; Ray, Deb Shankar

2015-09-28

We consider a nonlinear chemical dynamical system of two phase space variables in a stable steady state. When the system is driven by a time-dependent sinusoidal forcing of a suitable scaling parameter at a frequency twice the output frequency and the strength of perturbation exceeds a threshold, the system undergoes sustained Rayleigh-type periodic oscillation, wellknown for parametric oscillation in pipe organs and distinct from the usual forced quasiperiodic oscillation of a damped nonlinear system where the system is oscillatory even in absence of any external forcing. Our theoretical analysis of the parametric chemical oscillation is corroborated by full numerical simulation of two well known models of chemical dynamics, chlorite-iodine-malonic acid and iodine-clock reactions.

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.

Water models based on a single potential energy surface and different molecular degrees of freedom

NASA Astrophysics Data System (ADS)

Saint-Martin, Humberto; Hernández-Cobos, Jorge; Ortega-Blake, Iván

2005-06-01

Up to now it has not been possible to neatly assess whether a deficient performance of a model is due to poor parametrization of the force field or the lack of inclusion of enough molecular properties. This work compares several molecular models in the framework of the same force field, which was designed to include many-body nonadditive effects: (a) a polarizable and flexible molecule with constraints that account for the quantal nature of the vibration [B. Hess, H. Saint-Martin, and H. J. C. Berendsen, J. Chem. Phys. 116, 9602 (2002), H. Saint-Martin, B. Hess, and H. J. C. Berendsen, J. Chem. Phys. 120, 11133 (2004)], (b) a polarizable and classically flexible molecule [H. Saint-Martin, J. Hernández-Cobos, M. I. Bernal-Uruchurtu, I. Ortega-Blake, and H. J. C. Berendsen, J. Chem. Phys. 113, 10899 (2000)], (c) a polarizable and rigid molecule, and finally (d) a nonpolarizable and rigid molecule. The goal is to determine how significant the different molecular properties are. The results indicate that all factors—nonadditivity, polarizability, and intramolecular flexibility—are important. Still, approximations can be made in order to diminish the computational cost of the simulations with a small decrease in the accuracy of the predictions, provided that those approximations are counterbalanced by the proper inclusion of an effective molecular property, that is, an average molecular geometry or an average dipole. Hence instead of building an effective force field by parametrizing it in order to reproduce the properties of a specific phase, a building approach is proposed that is based on adequately restricting the molecular flexibility and/or polarizability of a model potential fitted to unimolecular properties, pair interactions, and many-body nonadditive contributions. In this manner, the same parental model can be used to simulate the same substance under a wide range of thermodynamic conditions. An additional advantage of this approach is that, as the force field improves by the quality of the molecular calculations, all levels of modeling can be improved.

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.

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.

Reparametrization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations.

PubMed

Miller, Mark S; Lay, Wesley K; Li, Shuxiang; Hacker, William C; An, Jiadi; Ren, Jianlan; Elcock, Adrian H

2017-04-11

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparametrize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coefficients of seven neutral amino acids and five small molecules. The force fields tested include AMBER ff99SB-ILDN, CHARMM36, GROMOS54a7, and OPLS-AA, with the first of these tested in conjunction with the TIP3P and TIP4P-Ew water models. In general, for both the amino acids and the small molecules, the tested force fields produce computed osmotic coefficients that are lower than experiment; this is indicative of excessively favorable solute-solute interactions. The sole exception to this general trend is provided by GROMOS54a7 when applied to amino acids: in this case, the computed osmotic coefficients are consistently too high. Importantly, we show that all of the force fields tested can be made to accurately reproduce the experimental osmotic coefficients of the amino acids when minor modifications-some previously reported by others and some that are new to this study-are made to the van der Waals interactions of the charged terminal groups. Special care is required, however, when simulating Proline with a number of the force fields, and a hydroxyl-group specific modification is required in order to correct Serine and Threonine when simulated with AMBER ff99SB-ILDN. Interestingly, an alternative parametrization of the van der Waals interactions in the latter force field, proposed by the Nerenberg and Head-Gordon groups, is shown to immediately produce osmotic coefficients that are in excellent agreement with experiment. Overall, this study reinforces the idea that osmotic coefficient measurements can be used to identify general shortcomings in commonly used force fields' descriptions of solute-solute interactions and further demonstrates that modifications to van der Waals parameters provide a simple route to optimizing agreement with experiment.

One-dimensional statistical parametric mapping in Python.

PubMed

Pataky, Todd C

2012-01-01

Statistical parametric mapping (SPM) is a topological methodology for detecting field changes in smooth n-dimensional continua. Many classes of biomechanical data are smooth and contained within discrete bounds and as such are well suited to SPM analyses. The current paper accompanies release of 'SPM1D', a free and open-source Python package for conducting SPM analyses on a set of registered 1D curves. Three example applications are presented: (i) kinematics, (ii) ground reaction forces and (iii) contact pressure distribution in probabilistic finite element modelling. In addition to offering a high-level interface to a variety of common statistical tests like t tests, regression and ANOVA, SPM1D also emphasises fundamental concepts of SPM theory through stand-alone example scripts. Source code and documentation are available at: www.tpataky.net/spm1d/.

Efficient nonparametric n -body force fields from machine learning

NASA Astrophysics Data System (ADS)

Glielmo, Aldo; Zeni, Claudio; De Vita, Alessandro

2018-05-01

We provide a definition and explicit expressions for n -body Gaussian process (GP) kernels, which can learn any interatomic interaction occurring in a physical system, up to n -body contributions, for any value of n . The series is complete, as it can be shown that the "universal approximator" squared exponential kernel can be written as a sum of n -body kernels. These recipes enable the choice of optimally efficient force models for each target system, as confirmed by extensive testing on various materials. We furthermore describe how the n -body kernels can be "mapped" on equivalent representations that provide database-size-independent predictions and are thus crucially more efficient. We explicitly carry out this mapping procedure for the first nontrivial (three-body) kernel of the series, and we show that this reproduces the GP-predicted forces with meV /Å accuracy while being orders of magnitude faster. These results pave the way to using novel force models (here named "M-FFs") that are computationally as fast as their corresponding standard parametrized n -body force fields, while retaining the nonparametric character, the ease of training and validation, and the accuracy of the best recently proposed machine-learning potentials.

Development of a wave-induced forcing threshold for nearshore impact of Wave Energy Converter arrays

NASA Astrophysics Data System (ADS)

O'Dea, A.; Haller, M. C.; Ozkan-Haller, H. T.

2016-02-01

Wave-induced forcing is a function of spatial gradients in the wave radiation stresses and is the main driver of alongshore currents, rip currents, and nearshore sediment transport. The installation of nearshore Wave Energy Converter (WEC) arrays may cause significant changes in the surf zone radiation stresses and could therefore impact nearshore littoral processes. In the first part of this study, a new threshold for nearshore hydrodynamic impact due to the presence of WEC devices is established based on changes in the alongshore radiation stress gradients shoreward of WEC arrays. The threshold is defined based on the relationship between nearshore radiation stresses and alongshore currents as observed in field data. Next, we perform a parametric study of the nearshore impact of WEC arrays using the SWAN wave model. Trials are conducted on an idealized, alongshore-uniform beach with a range of WEC array configurations, locations, and incident wave conditions, and conditions that generate radiation stress gradients above the impact threshold are identified. Finally, the same methodology is applied to two wave energy test sites off the coast of Newport, OR with more complicated bathymetries. Although the trends at the field sites are similar to those seen in the parametric study, the location and extent of the changes in the alongshore radiation stress gradients appear to be heavily influenced by the local bathymetry.

Optimization of an AMBER Force Field for the Artificial Nucleic Acid, LNA, and Benchmarking with NMR of L(CAAU)

PubMed Central

2013-01-01

Locked Nucleic Acids (LNAs) are RNA analogues with an O2′-C4′ methylene bridge which locks the sugar into a C3′-endo conformation. This enhances hybridization to DNA and RNA, making LNAs useful in microarrays and potential therapeutics. Here, the LNA, L(CAAU), provides a simplified benchmark for testing the ability of molecular dynamics (MD) to approximate nucleic acid properties. LNA χ torsions and partial charges were parametrized to create AMBER parm99_LNA. The revisions were tested by comparing MD predictions with AMBER parm99 and parm99_LNA against a 200 ms NOESY NMR spectrum of L(CAAU). NMR indicates an A-Form equilibrium ensemble. In 3000 ns simulations starting with an A-form structure, parm99_LNA and parm99 provide 66% and 35% agreement, respectively, with NMR NOE volumes and 3J-couplings. In simulations of L(CAAU) starting with all χ torsions in a syn conformation, only parm99_LNA is able to repair the structure. This implies methods for parametrizing force fields for nucleic acid mimics can reasonably approximate key interactions and that parm99_LNA will improve reliability of MD studies for systems with LNA. A method for approximating χ population distribution on the basis of base to sugar NOEs is also introduced. PMID:24377321

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model.

PubMed

Mohebifar, Mohamad; Johnson, Erin R; Rowley, Christopher N

2017-12-12

London dispersion interactions play an integral role in materials science and biophysics. Force fields for atomistic molecular simulations typically represent dispersion interactions by the 12-6 Lennard-Jones potential using empirically determined parameters. These parameters are generally underdetermined, and there is no straightforward way to test if they are physically realistic. Alternatively, the exchange-hole dipole moment (XDM) model from density-functional theory predicts atomic and molecular London dispersion coefficients from first principles, providing an innovative strategy to validate the dispersion terms of molecular-mechanical force fields. In this work, the XDM model was used to obtain the London dispersion coefficients of 88 organic molecules relevant to biochemistry and pharmaceutical chemistry and the values compared with those derived from the Lennard-Jones parameters of the CGenFF, GAFF, OPLS, and Drude polarizable force fields. The molecular dispersion coefficients for the CGenFF, GAFF, and OPLS models are systematically higher than the XDM-calculated values by a factor of roughly 1.5, likely due to neglect of higher order dispersion terms and premature truncation of the dispersion-energy summation. The XDM dispersion coefficients span a large range for some molecular-mechanical atom types, suggesting an unrecognized source of error in force-field models, which assume that atoms of the same type have the same dispersion interactions. Agreement with the XDM dispersion coefficients is even poorer for the Drude polarizable force field. Popular water models were also examined, and TIP3P was found to have dispersion coefficients similar to the experimental and XDM references, although other models employ anomalously high values. Finally, XDM-derived dispersion coefficients were used to parametrize molecular-mechanical force fields for five liquids-benzene, toluene, cyclohexane, n-pentane, and n-hexane-which resulted in improved accuracy in the computed enthalpies of vaporization despite only having to evaluate a much smaller section of the parameter space.

A parametric symmetry breaking transducer

NASA Astrophysics Data System (ADS)

Eichler, Alexander; Heugel, Toni L.; Leuch, Anina; Degen, Christian L.; Chitra, R.; Zilberberg, Oded

2018-06-01

Force detectors rely on resonators to transduce forces into a readable signal. Usually, these resonators operate in the linear regime and their signal appears amidst a competing background comprising thermal or quantum fluctuations as well as readout noise. Here, we demonstrate a parametric symmetry breaking transduction method that leads to a robust nonlinear force detection in the presence of noise. The force signal is encoded in the frequency at which the system jumps between two phase states which are inherently protected against phase noise. Consequently, the transduction effectively decouples from readout noise channels. For a controlled demonstration of the method, we experiment with a macroscopic doubly clamped string. Our method provides a promising paradigm for high-precision force detection.

Static force field representation of environments based on agents' nonlinear motions

NASA Astrophysics Data System (ADS)

Campo, Damian; Betancourt, Alejandro; Marcenaro, Lucio; Regazzoni, Carlo

2017-12-01

This paper presents a methodology that aims at the incremental representation of areas inside environments in terms of attractive forces. It is proposed a parametric representation of velocity fields ruling the dynamics of moving agents. It is assumed that attractive spots in the environment are responsible for modifying the motion of agents. A switching model is used to describe near and far velocity fields, which in turn are used to learn attractive characteristics of environments. The effect of such areas is considered radial over all the scene. Based on the estimation of attractive areas, a map that describes their effects in terms of their localizations, ranges of action, and intensities is derived in an online way. Information of static attractive areas is added dynamically into a set of filters that describes possible interactions between moving agents and an environment. The proposed approach is first evaluated on synthetic data; posteriorly, the method is applied on real trajectories coming from moving pedestrians in an indoor environment.

Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes.

PubMed

Havrila, Marek; Stadlbauer, Petr; Islam, Barira; Otyepka, Michal; Šponer, Jiří

2017-08-08

G-quadruplexes (GQs) are key noncanonical DNA and RNA architectures stabilized by desolvated monovalent cations present in their central channels. We analyze extended atomistic molecular dynamics simulations (∼580 μs in total) of GQs with 11 monovalent cation parametrizations, assessing GQ overall structural stability, dynamics of internal cations, and distortions of the G-tetrad geometries. Majority of simulations were executed with the SPC/E water model; however, test simulations with TIP3P and OPC water models are also reported. The identity and parametrization of ions strongly affect behavior of a tetramolecular d[GGG] 4 GQ, which is unstable with several ion parametrizations. The remaining studied RNA and DNA GQs are structurally stable, though the G-tetrad geometries are always deformed by bifurcated H-bonding in a parametrization-specific manner. Thus, basic 10-μs-scale simulations of fully folded GQs can be safely done with a number of cation parametrizations. However, there are parametrization-specific differences and basic force-field errors affecting the quantitative description of ion-tetrad interactions, which may significantly affect studies of the ion-binding processes and description of the GQ folding landscape. Our d[GGG] 4 simulations indirectly suggest that such studies will also be sensitive to the water models. During exchanges with bulk water, the Na + ions move inside the GQs in a concerted manner, while larger relocations of the K + ions are typically separated. We suggest that the Joung-Cheatham SPC/E K + parameters represent a safe choice in simulation studies of GQs, though variation of ion parameters can be used for specific simulation goals.

Extended parametric gain range in photonic crystal fibers with strongly frequency-dependent field distributions.

PubMed

Petersen, Sidsel R; Alkeskjold, Thomas T; Olausson, Christina B; Lægsgaard, Jesper

2014-08-15

The parametric gain range of a degenerate four-wave mixing process is determined in the undepleted pump regime. The gain range is considered with and without taking the mode field distributions of the four-wave mixing components into account. It is found that the mode field distributions have to be included to evaluate the parametric gain correctly in dispersion-tailored speciality fibers and that mode profile engineering can provide a way to increase the parametric gain range.

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution.

PubMed

Starovoytov, Oleg N; Borodin, Oleg; Bedrov, Dmitry; Smith, Grant D

2011-06-14

We have developed a quantum chemistry-based polarizable potential for poly(ethylene oxide) (PEO) in aqueous solution based on the APPLE&P polarizable ether and the SWM4-DP polarizable water models. Ether-water interactions were parametrized to reproduce the binding energy of water with 1,2-dimethoxyethane (DME) determined from high-level quantum chemistry calculations. Simulations of DME-water and PEO-water solutions at room temperature using the new polarizable potentials yielded thermodynamic properties in good agreement with experimental results. The predicted miscibility of PEO and water as a function of the temperature was found to be strongly correlated with the predicted free energy of solvation of DME. The developed nonbonded force field parameters were found to be transferrable to poly(propylene oxide) (PPO), as confirmed by capturing, at least qualitatively, the miscibility of PPO in water as a function of the molecular weight.

SOLAR MODULATION OF THE LOCAL INTERSTELLAR SPECTRUM WITH VOYAGER 1 , AMS-02, PAMELA , AND BESS

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

Corti, C.; Bindi, V.; Consolandi, C.

In recent years, the increasing precision of direct cosmic rays measurements opened the door to high-sensitivity indirect searches of dark matter and to more accurate predictions for radiation doses received by astronauts and electronics in space. The key ingredients in the study of these phenomena are the knowledge of the local interstellar spectrum (LIS) of galactic cosmic rays and the understanding of how the solar modulation affects the LIS inside the heliosphere. Voyager 1 , AMS-02, PAMELA , and BESS measurements of proton and helium fluxes provide valuable information, allowing us to shed light on the shape of the LISmore » and the details of the solar modulation during solar cycles 22-24. A new parametrization of the LIS is presented, based on the latest data from Voyager 1 and AMS-02. Using the framework of the force-field approximation, the solar modulation parameter is extracted from the time-dependent fluxes measured by PAMELA and BESS . A modified version of the force-field approximation with a rigidity-dependent modulation parameter is introduced, yielding better fits than the force-field approximation. The results are compared with the modulation parameter inferred by neutron monitors.« less

Parametric Resonances of a Conductive Pipe Driven by an Alternating Magnetic Field in the Presence of a Static Magnetic Field

ERIC Educational Resources Information Center

Donoso, Guillermo; Ladera, Celso L.

2012-01-01

The parametric oscillations of an oscillator driven electromagnetically are presented. The oscillator is a conductive pipe hung from a spring, and driven by the oscillating magnetic field of a surrounding coil in the presence of a static magnetic field. It is an interesting case of parametric oscillations since the pipe is neither a magnet nor a…

Diffeomorphic demons: efficient non-parametric image registration.

PubMed

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

2009-03-01

We propose an efficient non-parametric diffeomorphic image registration algorithm based on Thirion's demons algorithm. In the first part of this paper, we show that Thirion's demons algorithm can be seen as an optimization procedure on the entire space of displacement fields. We provide strong theoretical roots to the different variants of Thirion's demons algorithm. This analysis predicts a theoretical advantage for the symmetric forces variant of the demons algorithm. We show on controlled experiments that this advantage is confirmed in practice and yields a faster convergence. In the second part of this paper, we adapt the optimization procedure underlying the demons algorithm to a space of diffeomorphic transformations. In contrast to many diffeomorphic registration algorithms, our solution is computationally efficient since in practice it only replaces an addition of displacement fields by a few compositions. Our experiments show that in addition to being diffeomorphic, our algorithm provides results that are similar to the ones from the demons algorithm but with transformations that are much smoother and closer to the gold standard, available in controlled experiments, in terms of Jacobians.

Radiation drag in the field of a non-spherical source

NASA Astrophysics Data System (ADS)

Bini, D.; Geralico, A.; Passamonti, A.

2015-01-01

The motion of a test particle in the gravitational field of a non-spherical source endowed with both mass and mass quadrupole moment is investigated when a test radiation field is also present. The background is described by the Erez-Rosen solution, which is a static space-time belonging to the Weyl class of solutions to the vacuum Einstein's field equations, and reduces to the familiar Schwarzschild solution when the quadrupole parameter vanishes. The radiation flux has a fixed but arbitrary (non-zero) angular momentum. The interaction with the radiation field is assumed to be Thomson-like, i.e. the particles absorb and re-emit radiation, thus suffering for a friction-like drag force. Such an additional force is responsible for the Poynting-Robertson effect, which is well established in the framework of Newtonian gravity and has been recently extended to the general theory of relativity. The balance between gravitational attraction, centrifugal force and radiation drag leads to the occurrence of equilibrium circular orbits which are attractors for the surrounding matter for every fixed value of the interaction strength. The presence of the quadrupolar structure of the source introduces a further degree of freedom: there exists a whole family of equilibrium orbits parametrized by the quadrupole parameter, generalizing previous works. This scenario is expected to play a role in the context of accretion matter around compact objects.

Building machine learning force fields for nanoclusters

NASA Astrophysics Data System (ADS)

Zeni, Claudio; Rossi, Kevin; Glielmo, Aldo; Fekete, Ádám; Gaston, Nicola; Baletto, Francesca; De Vita, Alessandro

2018-06-01

We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analyzing the performance of 2-body, 3-body, and many-body kernel functions on a set of 19-atom Ni cluster structures. We find that 2-body GP kernels fail to provide faithful force estimates, despite succeeding in bulk Ni systems. However, both 3- and many-body kernels predict forces within an ˜0.1 eV/Å average error even for small training datasets and achieve high accuracy even on out-of-sample, high temperature structures. While training and testing on the same structure always provide satisfactory accuracy, cross-testing on dissimilar structures leads to higher prediction errors, posing an extrapolation problem. This can be cured using heterogeneous training on databases that contain more than one structure, which results in a good trade-off between versatility and overall accuracy. Starting from a 3-body kernel trained this way, we build an efficient non-parametric 3-body force field that allows accurate prediction of structural properties at finite temperatures, following a newly developed scheme [A. Glielmo et al., Phys. Rev. B 95, 214302 (2017)]. We use this to assess the thermal stability of Ni19 nanoclusters at a fractional cost of full ab initio calculations.

The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.

PubMed

Verstraelen, Toon; Van Speybroeck, Veronique; Waroquier, Michel

2009-07-28

An extensive benchmark of the electronegativity equalization method (EEM) and the split charge equilibration (SQE) model on a very diverse set of organic molecules is presented. These models efficiently compute atomic partial charges and are used in the development of polarizable force fields. The predicted partial charges that depend on empirical parameters are calibrated to reproduce results from quantum mechanical calculations. Recently, SQE is presented as an extension of the EEM to obtain the correct size dependence of the molecular polarizability. In this work, 12 parametrization protocols are applied to each model and the optimal parameters are benchmarked systematically. The training data for the empirical parameters comprise of MP2/Aug-CC-pVDZ calculations on 500 organic molecules containing the elements H, C, N, O, F, S, Cl, and Br. These molecules have been selected by an ingenious and autonomous protocol from an initial set of almost 500,000 small organic molecules. It is clear that the SQE model outperforms the EEM in all benchmark assessments. When using Hirshfeld-I charges for the calibration, the SQE model optimally reproduces the molecular electrostatic potential from the ab initio calculations. Applications on chain molecules, i.e., alkanes, alkenes, and alpha alanine helices, confirm that the EEM gives rise to a divergent behavior for the polarizability, while the SQE model shows the correct trends. We conclude that the SQE model is an essential component of a polarizable force field, showing several advantages over the original EEM.

Parametric instabilities of rotor-support systems with application to industrial ventilators

NASA Technical Reports Server (NTRS)

Parszewski, Z.; Krodkiemski, T.; Marynowski, K.

1980-01-01

Rotor support systems interaction with parametric excitation is considered for both unequal principal shaft stiffness (generators) and offset disc rotors (ventilators). Instability regions and types of instability are computed in the first case, and parametric resonances in the second case. Computed and experimental results are compared for laboratory machine models. A field case study of parametric vibrations in industrial ventilators is reported. Computed parametric resonances are confirmed in field measurements, and some industrial failures are explained. Also the dynamic influence and gyroscopic effect of supporting structures are shown and computed.

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.

PubMed

Fischer, Nina M; van Maaren, Paul J; Ditz, Jonas C; Yildirim, Ahmet; van der Spoel, David

2015-07-14

In order to increase the accuracy of classical computer simulations, existing methodologies may need to be adapted. Hitherto, most force fields employ a truncated potential function to model van der Waals interactions, sometimes augmented with an analytical correction. Although such corrections are accurate for homogeneous systems with a long cutoff, they should not be used in inherently inhomogeneous systems such as biomolecular and interface systems. For such cases, a variant of the particle mesh Ewald algorithm (Lennard-Jones PME) was already proposed 20 years ago (Essmann et al. J. Chem. Phys. 1995, 103, 8577-8593), but it was implemented only recently (Wennberg et al. J. Chem. Theory Comput. 2013, 9, 3527-3537) in a major simulation code (GROMACS). The availability of this method allows surface tensions of liquids as well as bulk properties to be established, such as density and enthalpy of vaporization, without approximations due to truncation. Here, we report on simulations of ≈150 liquids (taken from a force field benchmark: Caleman et al. J. Chem. Theory Comput. 2012, 8, 61-74) using three different force fields and compare simulations with and without explicit long-range van der Waals interactions. We find that the density and enthalpy of vaporization increase for most liquids using the generalized Amber force field (GAFF, Wang et al. J. Comput. Chem. 2004, 25, 1157-1174) and the Charmm generalized force field (CGenFF, Vanommeslaeghe et al. J. Comput. Chem. 2010, 31, 671-690) but less so for OPLS/AA (Jorgensen and Tirado-Rives, Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6665-6670), which was parametrized with an analytical correction to the van der Waals potential. The surface tension increases by ≈10(-2) N/m for all force fields. These results suggest that van der Waals attractions in force fields are too strong, in particular for the GAFF and CGenFF. In addition to the simulation results, we introduce a new version of a web server, http://virtualchemistry.org, aimed at facilitating sharing and reuse of input files for molecular simulations.

Parametric amplification in a resonant sensing array

NASA Astrophysics Data System (ADS)

Yie, Zi; Miller, Nicholas J.; Shaw, Steven W.; Turner, Kimberly L.

2012-03-01

We demonstrate parametric amplification of a multidegree of freedom resonant mass sensing array via an applied base motion containing the appropriate frequency content and phases. Applying parametric forcing in this manner is simple and aligns naturally with the vibrational properties of the sensing structure. Using this technique, we observe an increase in the quality factors of the coupled array resonances, which provides an effective means of improving device sensitivity.

Cavity magnomechanics

PubMed Central

Zhang, Xufeng; Zou, Chang-Ling; Jiang, Liang; Tang, Hong X.

2016-01-01

A dielectric body couples with electromagnetic fields through radiation pressure and electrostrictive forces, which mediate phonon-photon coupling in cavity optomechanics. In a magnetic medium, according to the Korteweg-Helmholtz formula, which describes the electromagnetic force density acting on a medium, magneostrictive forces should arise and lead to phonon-magnon interaction. We report such a coupled phonon-magnon system based on ferrimagnetic spheres, which we term as cavity magnomechanics, by analogy to cavity optomechanics. Coherent phonon-magnon interactions, including electromagnetically induced transparency and absorption, are demonstrated. Because of the strong hybridization of magnon and microwave photon modes and their high tunability, our platform exhibits new features including parametric amplification of magnons and phonons, triple-resonant photon-magnon-phonon coupling, and phonon lasing. Our work demonstrates the fundamental principle of cavity magnomechanics and its application as a new information transduction platform based on coherent coupling between photons, phonons, and magnons. PMID:27034983

Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer’s peptides

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

Tran, Thanh Thuy; Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr; Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr

Coarse-grained protein lattice models approximate atomistic details and keep the essential interactions. They are, therefore, suitable for capturing generic features of protein folding and amyloid formation at low computational cost. As our aim is to study the critical nucleus sizes of two experimentally well-characterized peptide fragments Aβ{sub 16−22} and Aβ{sub 37−42} of the full length Aβ{sub 1−42} Alzheimer’s peptide, it is important that simulations with the lattice model reproduce all-atom simulations. In this study, we present a comprehensive force field parameterization based on the OPEP (Optimized Potential for Efficient protein structure Prediction) force field for an on-lattice protein model, whichmore » incorporates explicitly the formation of hydrogen bonds and directions of side-chains. Our bottom-up approach starts with the determination of the best lattice force parameters for the Aβ{sub 16−22} dimer by fitting its equilibrium parallel and anti-parallel β-sheet populations to all-atom simulation results. Surprisingly, the calibrated force field is transferable to the trimer of Aβ{sub 16−22} and the dimer and trimer of Aβ{sub 37−42}. Encouraged by this finding, we characterized the free energy landscapes of the two decamers. The dominant structure of the Aβ{sub 16−22} decamer matches the microcrystal structure. Pushing the simulations for aggregates between 4-mer and 12-mer suggests a nucleus size for fibril formation of 10 chains. In contrast, the Aβ{sub 37−42} decamer is largely disordered with mixed by parallel and antiparallel chains, suggesting that the nucleus size is >10 peptides. Our refined force field coupled to this on-lattice model should provide useful insights into the critical nucleation number associated with neurodegenerative diseases.« less

Beyond-proximity-force-approximation Casimir force between two spheres at finite temperature

NASA Astrophysics Data System (ADS)

Bimonte, Giuseppe

2018-04-01

A recent experiment [J. L. Garrett, D. A. T. Somers, and J. N. Munday, Phys. Rev. Lett. 120, 040401 (2018), 10.1103/PhysRevLett.120.040401] measured for the first time the gradient of the Casimir force between two gold spheres at room temperature. The theoretical analysis of the data was carried out using the standard proximity force approximation (PFA). A fit of the data, using a parametrization of the force valid for the sphere-plate geometry, was used by the authors to place a bound on deviations from PFA. Motivated by this work, we compute the Casimir force between two gold spheres at finite temperature. The semianalytic formula for the Casimir force that we construct is valid for all separations, and can be easily used to interpret future experiments in both the sphere-plate and sphere-sphere configurations. We describe the correct parametrization of the corrections to PFA for two spheres that should be used in data analysis.

Conceptual design of a Bitter-magnet toroidal-field system for the ZEPHYR Ignition Test Reactor

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

Williams, J.E.C.; Becker, H.D.; Bobrov, E.S.

1981-05-01

The following problems are described and discussed: (1) parametric studies - these studies examine among other things the interdependence of throat stresses, plasma parameters (margins of ignition) and stored energy. The latter is a measure of cost and is minimized in the present design; (2) magnet configuration - the shape of the plates are considered in detail including standard turns, turns located at beam ports, diagnostic and closure flanges; (3) ripple computation - this section describes the codes by which ripple is computed; (4) field diffusion and nuclear heating - the effect of magnetic field diffusion on heating is consideredmore » along with neutron heating. Current, field and temperature profiles are computed; (5) finite element analysis - the two and three dimensional finite element codes are described and the results discussed in detail; (6) structures engineering - this considers the calculation of critical stresses due to toroidal and overturning forces and discusses the method of constraint of these forces. The Materials Testing Program is also discussed; (7) fabrication - the methods available for the manufacture of the constituent parts of the Bitter plates, the method of assembly and remote maintenance are summarized.« less

Explicit polarization: a quantum mechanical framework for developing next generation force fields.

PubMed

Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

2014-09-16

Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples involving water clusters (which show the power of two-body corrections), ethylmethylimidazolium acetate ionic liquids (which reveal that the amount of charge transfer between anion and cation is much smaller than what has been assumed in some classical simulations), and a solvated protein in aqueous solution (which shows that the average charge distribution of carbonyl groups along the polypeptide chain depends strongly on their position in the sequence, whereas they are fixed in most classical force fields). The development of QMFFs also offers an opportunity to extend the accuracy of biochemical simulations to areas where classical force fields are often insufficient, especially in the areas of spectroscopy, reactivity, and enzyme catalysis.

A theoretical investigation on the parametric instability excited by X-mode polarized electromagnetic wave at Tromsø

NASA Astrophysics Data System (ADS)

Wang, Xiang; Cannon, Patrick; Zhou, Chen; Honary, Farideh; Ni, Binbin; Zhao, Zhengyu

2016-04-01

Recent ionospheric modification experiments performed at Tromsø, Norway, have indicated that X-mode pump wave is capable of stimulating high-frequency enhanced plasma lines, which manifests the excitation of parametric instability. This paper investigates theoretically how the observation can be explained by the excitation of parametric instability driven by X-mode pump wave. The threshold of the parametric instability has been calculated for several recent experimental observations at Tromsø, illustrating that our derived equations for the excitation of parametric instability for X-mode heating can explain the experimental observations. According to our theoretical calculation, a minimum fraction of pump wave electric field needs to be directed along the geomagnetic field direction in order for the parametric instability threshold to be met. A full-wave finite difference time domain simulation has been performed to demonstrate that a small parallel component of pump wave electric field can be achieved during X-mode heating in the presence of inhomogeneous plasma.

Parametric resonance in tunable superconducting cavities

NASA Astrophysics Data System (ADS)

Wustmann, Waltraut; Shumeiko, Vitaly

2013-05-01

We develop a theory of parametric resonance in tunable superconducting cavities. The nonlinearity introduced by the superconducting quantum interference device (SQUID) attached to the cavity and damping due to connection of the cavity to a transmission line are taken into consideration. We study in detail the nonlinear classical dynamics of the cavity field below and above the parametric threshold for the degenerate parametric resonance, featuring regimes of multistability and parametric radiation. We investigate the phase-sensitive amplification of external signals on resonance, as well as amplification of detuned signals, and relate the amplifier performance to that of linear parametric amplifiers. We also discuss applications of the device for dispersive qubit readout. Beyond the classical response of the cavity, we investigate small quantum fluctuations around the amplified classical signals. We evaluate the noise power spectrum both for the internal field in the cavity and the output field. Other quantum-statistical properties of the noise are addressed such as squeezing spectra, second-order coherence, and two-mode entanglement.

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.

Protein-Backbone Thermodynamics across the Membrane Interface.

PubMed

Bereau, Tristan; Kremer, Kurt

2016-07-07

The thermodynamics of insertion of a protein in a membrane depends on the fine interplay between backbone and side-chain contributions interacting with the lipid environment. Using computer simulations, we probe how different descriptions of the backbone glycyl unit affect the thermodynamics of insertion of individual residues, dipeptides, and entire transmembrane helices. Due to the lack of reference data, we first introduce an efficient methodology to estimate atomistic potential of mean force (PMF) curves from a series of representative and uncorrelated coarse-grained (CG) snapshots. We find strong discrepancies between two CG models, Martini and PLUM, against reference atomistic PMFs and experiments. Atomistic simulations suggest a weak free energy of insertion between water and a POPC membrane for the glycyl unit, in overall agreement with experimental results despite severe assumptions in our calculations. We show that refining the backbone contribution in PLUM significantly improves the PMF of insertion of the WALP16 transmembrane peptide. An improper balance between the glycyl backbone and the attached side chain will lead to energetic artifacts, rationalizing Martini's overstabilization of WALP's adsorbed interfacial state. It illustrates difficulties associated with free-energy-based parametrizations of single-residue models, as the relevant free energy of partitioning used for force-field parametrization does not arise from the entire residue but rather the solvent-accessible chemical groups.

Generation of intermittent gravitocapillary waves via parametric forcing

NASA Astrophysics Data System (ADS)

Castillo, Gustavo; Falcón, Claudio

2018-04-01

We report on the generation of an intermittent wave field driven by a horizontally moving wave maker interacting with Faraday waves. The spectrum of the local gravitocapillary surface wave fluctuations displays a power law in frequency for a wide range of forcing parameters. We compute the probability density function of the local surface height increments, which show that they change strongly across time scales. The structure functions of these increments are shown to display power laws as a function of the time lag, with exponents that are nonlinear functions of the order of the structure function. We argue that the origin of this scale-invariant intermittent spectrum is the Faraday wave pattern breakup due to its advection by the propagating gravity waves. Finally, some interpretations are proposed to explain the appearance of this intermittent spectrum.

Estimation of aerosol direct radiative forcing in Lecce during the 2013 ADRIMED campaign

NASA Astrophysics Data System (ADS)

Barragan, Ruben; Romano, Salvatore; Sicard, Michaël.; Burlizzi, Pasquale; Perrone, Maria-Rita; Comeron, Adolfo

2015-10-01

In the framework of the ChArMEx (Chemistry-Aerosol Mediterranean Experiment, http://charmex.lsce.ipsl.fr/) initiative, a field campaign took place in the western Mediterranean Basin between 10 June and 5 July 2013 within the ADRIMED (Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region) project. The scientific objectives of ADRIMED are the characterization of the typical "Mediterranean aerosol" and its direct radiative forcing (column closure and regional scale). This work is focused on the multi-intrusion Saharan dust transport period of moderate intensity that occurred over the western and central Mediterranean Basin during the period 14 - 27 June. The dust plumes were detected by the EARLINET/ACTRIS (European Aerosol Research Lidar Network / Aerosols, Clouds, and Trace gases Research InfraStructure Network, http://www.actris.net/) lidar stations of Barcelona (16 and 17 June) and Lecce (22 June). First, two well-known and robust radiative transfer models, parametrized by lidar profiles for the aerosol vertical distribution, are validated both in the shortwave and longwave spectral range 1) at the surface with down- and up-ward flux measurements from radiometers and 2) at the top of the atmosphere with upward flux measurements from the CERES (Clouds and the Earth's Radiant Energy System) radiometers on board the AQUA and TERRA satellites. The differences between models and their limitations are discussed. The instantaneous and clear-sky direct radiative forcing of mineral dust is then estimated using lidar data for parametrizing the particle vertical distribution at Lecce. The difference between the obtained forcings is discussed in regard to the mineralogy and vertical structure of the dust plume.

NASA/Air Force Cost Model: NAFCOM

NASA Technical Reports Server (NTRS)

Winn, Sharon D.; Hamcher, John W. (Technical Monitor)

2002-01-01

The NASA/Air Force Cost Model (NAFCOM) is a parametric estimating tool for space hardware. It is based on historical NASA and Air Force space projects and is primarily used in the very early phases of a development project. NAFCOM can be used at the subsystem or component levels.

Reducing numerical costs for core wide nuclear reactor CFD simulations by the Coarse-Grid-CFD

NASA Astrophysics Data System (ADS)

Viellieber, Mathias; Class, Andreas G.

2013-11-01

Traditionally complete nuclear reactor core simulations are performed with subchannel analysis codes, that rely on experimental and empirical input. The Coarse-Grid-CFD (CGCFD) intends to replace the experimental or empirical input with CFD data. The reactor core consists of repetitive flow patterns, allowing the general approach of creating a parametrized model for one segment and composing many of those to obtain the entire reactor simulation. The method is based on a detailed and well-resolved CFD simulation of one representative segment. From this simulation we extract so-called parametrized volumetric forces which close, an otherwise strongly under resolved, coarsely-meshed model of a complete reactor setup. While the formulation so far accounts for forces created internally in the fluid others e.g. obstruction and flow deviation through spacers and wire wraps, still need to be accounted for if the geometric details are not represented in the coarse mesh. These are modelled with an Anisotropic Porosity Formulation (APF). This work focuses on the application of the CGCFD to a complete reactor core setup and the accomplishment of the parametrization of the volumetric forces.

Light Absorption Enhancement of Black Carbon Aerosol Constrained by Particle Morphology.

PubMed

Wu, Yu; Cheng, Tianhai; Liu, Dantong; Allan, James D; Zheng, Lijuan; Chen, Hao

2018-06-19

The radiative forcing of black carbon aerosol (BC) is one of the largest sources of uncertainty in climate change assessments. Contrasting results of BC absorption enhancement ( E abs ) after aging are estimated by field measurements and modeling studies, causing ambiguous parametrizations of BC solar absorption in climate models. Here we quantify E abs using a theoretical model parametrized by the complex particle morphology of BC in different aging scales. We show that E abs continuously increases with aging and stabilizes with a maximum of ∼3.5, suggesting that previous seemingly contrast results of E abs can be explicitly described by BC aging with corresponding particle morphology. We also report that current climate models using Mie Core-Shell model may overestimate E abs at a certain aging stage with a rapid rise of E abs , which is commonly observed in the ambient. A correction coefficient for this overestimation is suggested to improve model predictions of BC climate impact.

Sensitivity of a Wave Structure to Initial Conditions

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.; Duval, Walter M. B. (Technical Monitor)

2000-01-01

Microgravity experiments aimed at quantifying effects of gentler via controlled sinusoidal forcing transmitted on the interface between two miscible liquids have shown the evolution of a quasi -stationary four-mode wave structure oriented vertically. The sensitivity of the wave structure to phase angle variation is investigated computationally. We show that a slight variation of the phase angle is sufficient to cause a bifurcation to a two-mode structure. The dependence of phase angle on wave structure is attributed to sensitivity on initial conditions due to the strong nonlinearity of the coupled field equations for the parametric space of interest.

Effects of ageing on orofacial fine force control and its relationship with parallel change in sensory perception.

PubMed

Etter, Nicole M; Mckeon, Patrick O; Dressler, Emily V; Andreatta, Richard D

2017-05-03

Current theoretical models suggest the importance of a bidirectional relationship between sensation and production in the vocal tract to maintain lifelong speech skills. The purpose of this study was to assess age-related changes in orofacial skilled force production and to begin defining the orofacial perception-action relationship in healthy adults. Low-level orofacial force control measures (reaction time, rise time, peak force, mean hold force (N) and force hold SD) were collected from 60 adults (19-84 years). Non-parametric Kruskal Wallis tests were performed to identify statistical differences between force and group demographics. Non-parametric Spearman's rank correlations were completed to compare force measures against previously published sensory data from the same cohort of participants. Significant group differences in force control were found for age, sex, speech usage and smoking status. Significant correlational relationships were identified between labial vibrotactile thresholds and several low-level force control measures collected during step and ramp-and-hold conditions. These findings demonstrate age-related alterations in orofacial force production. Furthermore, correlational analysis suggests as vibrotactile detection thresholds increase, the ability to maintain low-level force control accuracy decreases. Possible clinical applications and treatment consequences of these findings for speech disorders in the ageing population are provided.

Study of magnetic resonance with parametric modulation in a potassium vapor cell

NASA Astrophysics Data System (ADS)

Zhang, Rui; Wang, Zhiguo; Peng, Xiang; Li, Wenhao; Li, Songjian; Guo, Hong; Cream Team

2017-04-01

A typical magnetic-resonance scheme employs a static bias magnetic field and an orthogonal driving magnetic field oscillating at the Larmor frequency, at which the atomic polarization precesses around the static magnetic field. We demonstrate in a potassium vapor cell the variations of the resonance condition and the spin precession dynamics resulting from the parametric modulation of the bias field, which are in well agreement with theoretical predictions from the Bloch equation. We show that, the driving magnetic field with the frequency detuned by different harmonics of the parametric modulation frequency can lead to resonance as well. Also, a series of frequency sidebands centered at the driving frequency and spaced by the parametric modulation frequency can be observed in the precession of the atomic polarization. These effects could be used in different atomic magnetometry applications. This work is supported by the National Science Fund for Distinguished Young Scholars of China (Grant No. 61225003) and the National Natural Science Foundation of China (Grant Nos. 61531003 and 61571018).

Parametrically excited motion of a levitated rigid bar over high- Tc superconducting bulks

NASA Astrophysics Data System (ADS)

Shimizu, T.; Sugiura, T.; Ogawa, S.

2006-10-01

High-Tc superconducting levitation systems achieve, under no contact support, stable levitation without control. This feature can be applied to flywheels, magnetically levitated trains, and so on. But no contact support has small damping. So these mechanisms can show complicated phenomena of dynamics due to nonlinearity in their magnetic force. For application to large-scale machines, we need to analyze dynamics of a large levitated body supported at multiple points. This research deals with nonlinearly coupled oscillation of a homogeneous and symmetric rigid bar supported at its both ends by equal electromagnetic forces between superconductors and permanent magnets. In our past study, using a rigid bar, we found combination resonance. Combination resonance happens owing to the asymmetry of the system. But, even if support forces are symmetric, parametric resonance can happen. With a simple symmetric model, this research focuses on especially the parametric resonance, and evaluates nonlinear effect of the symmetric support forces by experiment and numerical analysis. Obtained results show that two modes, caused by coupling of horizontal translation and roll motion, can be excited nonlinearly when the superconductor is excited vertically in the neighborhood of twice the natural frequencies of those modes. We confirmed these resonances have nonlinear characteristics of soft-spring, hysteresis and so on.

Empirical validation of statistical parametric mapping for group imaging of fast neural activity using electrical impedance tomography.

PubMed

Packham, B; Barnes, G; Dos Santos, G Sato; Aristovich, K; Gilad, O; Ghosh, A; Oh, T; Holder, D

2016-06-01

Electrical impedance tomography (EIT) allows for the reconstruction of internal conductivity from surface measurements. A change in conductivity occurs as ion channels open during neural activity, making EIT a potential tool for functional brain imaging. EIT images can have  >10 000 voxels, which means statistical analysis of such images presents a substantial multiple testing problem. One way to optimally correct for these issues and still maintain the flexibility of complicated experimental designs is to use random field theory. This parametric method estimates the distribution of peaks one would expect by chance in a smooth random field of a given size. Random field theory has been used in several other neuroimaging techniques but never validated for EIT images of fast neural activity, such validation can be achieved using non-parametric techniques. Both parametric and non-parametric techniques were used to analyze a set of 22 images collected from 8 rats. Significant group activations were detected using both techniques (corrected p  <  0.05). Both parametric and non-parametric analyses yielded similar results, although the latter was less conservative. These results demonstrate the first statistical analysis of such an image set and indicate that such an analysis is an approach for EIT images of neural activity.

Empirical validation of statistical parametric mapping for group imaging of fast neural activity using electrical impedance tomography

PubMed Central

Packham, B; Barnes, G; dos Santos, G Sato; Aristovich, K; Gilad, O; Ghosh, A; Oh, T; Holder, D

2016-01-01

Abstract Electrical impedance tomography (EIT) allows for the reconstruction of internal conductivity from surface measurements. A change in conductivity occurs as ion channels open during neural activity, making EIT a potential tool for functional brain imaging. EIT images can have  >10 000 voxels, which means statistical analysis of such images presents a substantial multiple testing problem. One way to optimally correct for these issues and still maintain the flexibility of complicated experimental designs is to use random field theory. This parametric method estimates the distribution of peaks one would expect by chance in a smooth random field of a given size. Random field theory has been used in several other neuroimaging techniques but never validated for EIT images of fast neural activity, such validation can be achieved using non-parametric techniques. Both parametric and non-parametric techniques were used to analyze a set of 22 images collected from 8 rats. Significant group activations were detected using both techniques (corrected p  <  0.05). Both parametric and non-parametric analyses yielded similar results, although the latter was less conservative. These results demonstrate the first statistical analysis of such an image set and indicate that such an analysis is an approach for EIT images of neural activity. PMID:27203477

Interface behavior of a multi-layer fluid configuration subject to acceleration in a microgravity environment, supplement 1. M.S. Thesis

NASA Technical Reports Server (NTRS)

Lyell, M. J.; Roh, Michael

1991-01-01

With the increasing opportunities for research in a microgravity environment, there arises a need for understanding fluid mechanics under such conditions. In particular, a number of material processing configurations involve fluid-fluid interfaces which may experience instabilities in the presence of external forcing. In a microgravity environment, these accelerations may be periodic or impulse-type in nature. This research investigates the behavior of a multi-layer idealized fluid configuration which is infinite in extent. The analysis is linear, and each fluid region is considered inviscid, incompressible, and immiscible. An initial parametric study of confiquration stability in the presence of a constant acceleration field is performed. The zero mean gravity limit case serves as the base state for the subsequent time-dependent forcing cases. A stability analysis of the multi-layer fluid system in the presence of periodic forcing is investigated. Floquet theory is utilized. A parameter study is performed, and regions of stability are identified. For the impulse-type forcing case, asymptotic stability is established for the configuration. Using numerical integration, the time response of the interfaces is determined.

Dense granular flow around a rigid or flexible intruder

NASA Astrophysics Data System (ADS)

Kolb, Evelyne; Adda-Bedia, Mokhtar

2012-02-01

We experimentally studied the flow of a dense granular material around an obstacle (rigid cylinder or flexible plate) placed in a 2 dimensional confined cell at a packing fraction near the 2D jamming threshold. In the case of the rigid obstacle, the displacement field of grains as well as the drag force experienced by the obstacle were simultaneously recorded and a parametric study was done by changing the cell size, the intruder diameter or the packing fraction. The drag force experienced by the intruder and the formation of a wake behind the obstacle were very sensitive to the approach to jamming. The same experimental set-up was adapted to a flexible intruder and coupling between the granular flow and fibre deflexion were imaged. The deformation of the fibre could be compared with theoretical predictions from elastica.

Bubble Dynamics on a Heated Surface

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Rashidnia, Nasser

1996-01-01

In this work, we study the combined thermocapillary and natural convective flow generated by a bubble on a heated solid surface. The interaction between gas and vapor bubbles with the surrounding fluid is of interest for both space and ground-based processing. On earth, the volumetric forces are dominant, especially, in apparatuses with large volume to surface ratio. But in the reduced gravity environment of orbiting spacecraft, surface forces become more important and the effects of Marangoni convection are easily unmasked. In order to delineate the roles of the various interacting phenomena, a combined numerical-experimental approach is adopted. The temperature field is visualized using Mach-Zehnder interferometry and the flow field is observed by a laser sheet flow visualization technique. A finite element numerical model is developed which solves the two-dimensional momentum and energy equations and includes the effects of bubble surface deformation. Steady state temperature and velocity fields predicted by the finite element model are in excellent qualitative agreement with the experimental results. A parametric study of the interaction between Marangoni and natural convective flows including conditions pertinent to microgravity space experiments is presented. Numerical simulations clearly indicate that there is a considerable difference between 1-g and low-g temperature and flow fields induced by the bubble.

Computational modeling of magnetic nanoparticle targeting to stent surface under high gradient field

PubMed Central

Wang, Shunqiang; Zhou, Yihua; Tan, Jifu; Xu, Jiang; Yang, Jie; Liu, Yaling

2014-01-01

A multi-physics model was developed to study the delivery of magnetic nanoparticles (MNPs) to the stent-implanted region under an external magnetic field. The model is firstly validated by experimental work in literature. Then, effects of external magnetic field strength, magnetic particle size, and flow velocity on MNPs’ targeting and binding have been analyzed through a parametric study. Two new dimensionless numbers were introduced to characterize relative effects of Brownian motion (BM), magnetic force induced particle motion, and convective blood flow on MNPs motion. It was found that larger magnetic field strength, bigger MNP size, and slower flow velocity increase the capture efficiency of MNPs. The distribution of captured MNPs on the vessel along axial and azimuthal directions was also discussed. Results showed that the MNPs density decreased exponentially along axial direction after one-dose injection while it was uniform along azimuthal direction in the whole stented region (averaged over all sections). For the beginning section of the stented region, the density ratio distribution of captured MNPs along azimuthal direction is center-symmetrical, corresponding to the center-symmetrical distribution of magnetic force in that section. Two different generation mechanisms are revealed to form four main attraction regions. These results could serve as guidelines to design a better magnetic drug delivery system. PMID:24653546

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

Parametric study on kink instabilities of twisted magnetic flux ropes in the solar atmosphere

NASA Astrophysics Data System (ADS)

Mei, Z. X.; Keppens, R.; Roussev, I. I.; Lin, J.

2018-01-01

Aims: Twisted magnetic flux ropes (MFRs) in the solar atmosphere have been researched extensively because of their close connection to many solar eruptive phenomena, such as flares, filaments, and coronal mass ejections (CMEs). In this work, we performed a set of 3D isothermal magnetohydrodynamic (MHD) numerical simulations, which use analytical twisted MFR models and study dynamical processes parametrically inside and around current-carrying twisted loops. We aim to generalize earlier findings by applying finite plasma β conditions. Methods: Inside the MFR, approximate internal equilibrium is obtained by pressure from gas and toroidal magnetic fields to maintain balance with the poloidal magnetic field. We selected parameter values to isolate best either internal or external kink instability before studying complex evolutions with mixed characteristics. We studied kink instabilities and magnetic reconnection in MFRs with low and high twists. Results: The curvature of MFRs is responsible for a tire tube force due to its internal plasma pressure, which tends to expand the MFR. The curvature effect of toroidal field inside the MFR leads to a downward movement toward the photosphere. We obtain an approximate internal equilibrium using the opposing characteristics of these two forces. A typical external kink instability totally dominates the evolution of MFR with infinite twist turns. Because of line-tied conditions and the curvature, the central MFR region loses its external equilibrium and erupts outward. We emphasize the possible role of two different kink instabilities during the MFR evolution: internal and external kink. The external kink is due to the violation of the Kruskal-Shafranov condition, while the internal kink requires a safety factor q = 1 surface inside the MFR. We show that in mixed scenarios, where both instabilities compete, complex evolutions occur owing to reconnections around and within the MFR. The S-shaped structures in current distributions appear naturally without invoking flux emergence. Magnetic reconfigurations common to eruptive MFRs and flare loop systems are found in our simulations.

Host Model Uncertainty in Aerosol Radiative Forcing Estimates - The AeroCom Prescribed Experiment

NASA Astrophysics Data System (ADS)

Stier, P.; Kinne, S.; Bellouin, N.; Myhre, G.; Takemura, T.; Yu, H.; Randles, C.; Chung, C. E.

2012-04-01

Anthropogenic and natural aerosol radiative effects are recognized to affect global and regional climate. However, even for the case of identical aerosol emissions, the simulated direct aerosol radiative forcings show significant diversity among the AeroCom models (Schulz et al., 2006). Our analysis of aerosol absorption in the AeroCom models indicates a larger diversity in the translation from given aerosol radiative properties (absorption optical depth) to actual atmospheric absorption than in the translation of a given atmospheric burden of black carbon to the radiative properties (absorption optical depth). The large diversity is caused by differences in the simulated cloud fields, radiative transfer, the relative vertical distribution of aerosols and clouds, and the effective surface albedo. This indicates that differences in host model (GCM or CTM hosting the aerosol module) parameterizations contribute significantly to the simulated diversity of aerosol radiative forcing. The magnitude of these host model effects in global aerosol model and satellites retrieved aerosol radiative forcing estimates cannot be estimated from the diagnostics of the "standard" AeroCom forcing experiments. To quantify the contribution of differences in the host models to the simulated aerosol radiative forcing and absorption we conduct the AeroCom Prescribed experiment, a simple aerosol model and satellite retrieval intercomparison with prescribed highly idealised aerosol fields. Quality checks, such as diagnostic output of the 3D aerosol fields as implemented in each model, ensure the comparability of the aerosol implementation in the participating models. The simulated forcing variability among the models and retrievals is a direct measure of the contribution of host model assumptions to the uncertainty in the assessment of the aerosol radiative effects. We will present the results from the AeroCom prescribed experiment with focus on the attribution to the simulated variability to parametric and structural model uncertainties. This work will help to prioritise areas for future model improvements and ultimately lead to uncertainty reduction.

Numerical Simulation and Performance Optimization of a Magnetophoretic Bio-separation chip

NASA Astrophysics Data System (ADS)

Golozar, Matin; Darabi, Jeff; Molki, Majid

Separation of micro/nanoparticles is important in biomedicine and biotechnology. This research presents the modeling and optimization of a magnetophoretic bio-separation chip for the isolation of biomaterials, such as circulating tumor cells (CTCs) from the peripheral blood. The chip consists of a continuous flow through microfluidic channels that contains locally engineered magnetic field gradients. The high gradient magnetic field produced by the magnets is spatially non-uniform and gives rise to an attractive force on magnetic particles that move through the flow channel. The computational model takes into account the magnetic and fluidic forces as well as the effect of the volume fraction of particles on the continuous phase. The model is used to investigate the effect of two-way particle-fluid coupling on both the capture efficiency and the flow pattern in the separation chip. The results show that the microfluidic device has the capability of separating CTCs from their native environment. Additionally, a parametric study is performed to investigate the effects of the channel height, substrate thickness, magnetic bead size, bioparticle size, and the number of beads per cell on the cell separation performance.

Theory of force detection using optically levitated nanoparticles

NASA Astrophysics Data System (ADS)

Rodenburg, Brandon; Neukirch, Levi; Pettit, Robert; Vamivakas, Nick; Bhattacharya, Mishkat

2016-05-01

Levitated nanoparticles offer the potential of being incredibly well isolated from the environment. This isolation makes such systems excellent candidates for tests of quantum mechanics at the macroscale and as versatile platforms for ultrasensitive metrology. Systems involving an optical cavity mode to provide the trapping field, as well as cooling mechanism of the particle's center of mass motion are well understood theoretically and provide a canonical system for the field of quantum optomechanics. However, techniques based on measurement based parametric cooling and feedback stabilization have made it possible to trap and manipulate a nanoparticle without the need for an optical cavity, even at extremely high vacuum where gas damping cannot stabilize the motion of the particle. For these cavityless systems, a fully quantum theory has recently been developed. In this talk we will present recent work that we have carried out to apply this theory to the use of such devices as force sensors, including a discussion of the ultimate limits placed on the sensitivity by the sources of fundamental quantum noise. Office of Naval Research.

Nonlinear Modeling of Forced Magnetic Reconnection with Transient Perturbations

NASA Astrophysics Data System (ADS)

Beidler, Matthew T.; Callen, James D.; Hegna, Chris C.; Sovinec, Carl R.

2017-10-01

Externally applied 3D magnetic fields in tokamaks can penetrate into the plasma and lead to forced magnetic reconnection, and hence magnetic islands, on resonant surfaces. Analytic theory has been reasonably successful in describing many aspects of this paradigm with regard to describing the time asymptotic-steady state. However, understanding the nonlinear evolution into a low-slip, field-penetrated state, especially how MHD events such as sawteeth and ELMs precipitate this transition, is in its early development. We present nonlinear computations employing the extended-MHD code NIMROD, building on previous work by incorporating a temporally varying external perturbation as a simple model for an MHD event that produces resonant magnetic signals. A parametric series of proof-of-principle computations and accompanying analytical theory characterize the transition into a mode-locked state with an emphasis on detailing the temporal evolution properties. Supported by DOE OFES Grants DE-FG02-92ER54139, DE-FG02-86ER53218, and the U.S. DOE FES Postdoctoral Research program administered by ORISE and managed by ORAU under DOE contract DE-SC0014664.

A convolution model for computing the far-field directivity of a parametric loudspeaker array.

PubMed

Shi, Chuang; Kajikawa, Yoshinobu

2015-02-01

This paper describes a method to compute the far-field directivity of a parametric loudspeaker array (PLA), whereby the steerable parametric loudspeaker can be implemented when phased array techniques are applied. The convolution of the product directivity and the Westervelt's directivity is suggested, substituting for the past practice of using the product directivity only. Computed directivity of a PLA using the proposed convolution model achieves significant improvement in agreement to measured directivity at a negligible computational cost.

A level-set method for two-phase flows with moving contact line and insoluble surfactant

NASA Astrophysics Data System (ADS)

Xu, Jian-Jun; Ren, Weiqing

2014-04-01

A level-set method for two-phase flows with moving contact line and insoluble surfactant is presented. The mathematical model consists of the Navier-Stokes equation for the flow field, a convection-diffusion equation for the surfactant concentration, together with the Navier boundary condition and a condition for the dynamic contact angle derived by Ren et al. (2010) [37]. The numerical method is based on the level-set continuum surface force method for two-phase flows with surfactant developed by Xu et al. (2012) [54] with some cautious treatment for the boundary conditions. The numerical method consists of three components: a flow solver for the velocity field, a solver for the surfactant concentration, and a solver for the level-set function. In the flow solver, the surface force is dealt with using the continuum surface force model. The unbalanced Young stress at the moving contact line is incorporated into the Navier boundary condition. A convergence study of the numerical method and a parametric study are presented. The influence of surfactant on the dynamics of the moving contact line is illustrated using examples. The capability of the level-set method to handle complex geometries is demonstrated by simulating a pendant drop detaching from a wall under gravity.

Frequency locking in auditory hair cells: Distinguishing between additive and parametric forcing

NASA Astrophysics Data System (ADS)

Edri, Yuval; Bozovic, Dolores; Yochelis, Arik

2016-10-01

The auditory system displays remarkable sensitivity and frequency discrimination, attributes shown to rely on an amplification process that involves a mechanical as well as a biochemical response. Models that display proximity to an oscillatory onset (also known as Hopf bifurcation) exhibit a resonant response to distinct frequencies of incoming sound, and can explain many features of the amplification phenomenology. To understand the dynamics of this resonance, frequency locking is examined in a system near the Hopf bifurcation and subject to two types of driving forces: additive and parametric. Derivation of a universal amplitude equation that contains both forcing terms enables a study of their relative impact on the hair cell response. In the parametric case, although the resonant solutions are 1 : 1 frequency locked, they show the coexistence of solutions obeying a phase shift of π, a feature typical of the 2 : 1 resonance. Different characteristics are predicted for the transition from unlocked to locked solutions, leading to smooth or abrupt dynamics in response to different types of forcing. The theoretical framework provides a more realistic model of the auditory system, which incorporates a direct modulation of the internal control parameter by an applied drive. The results presented here can be generalized to many other media, including Faraday waves, chemical reactions, and elastically driven cardiomyocytes, which are known to exhibit resonant behavior.

Systematics in lensing reconstruction: dark matter rings in the sky?

NASA Astrophysics Data System (ADS)

Ponente, P. P.; Diego, J. M.

2011-11-01

Context. Non-parametric lensing methods are a useful way of reconstructing the lensing mass of a cluster without making assumptions about the way the mass is distributed in the cluster. These methods are particularly powerful in the case of galaxy clusters with a large number of constraints. The advantage of not assuming implicitly that the luminous matter follows the dark matter is particularly interesting in those cases where the cluster is in a non-relaxed dynamical state. On the other hand, non-parametric methods have several limitations that should be taken into account carefully. Aims: We explore some of these limitations and focus on their implications for the possible ring of dark matter around the galaxy cluster CL0024+17. Methods: We project three background galaxies through a mock cluster of known radial profile density and obtain a map for the arcs (θ map). We also calculate the shear field associated with the mock cluster across the whole field of view (3.3 arcmin). Combining the positions of the arcs and the two-direction shear, we perform an inversion of the lens equation using two separate methods, the biconjugate gradient, and the quadratic programming (QADP) to reconstruct the convergence map of the mock cluster. Results: We explore the space of the solutions of the convergence map and compare the radial density profiles to the density profile of the mock cluster. When the inversion matrix algorithms are forced to find the exact solution, we encounter systematic effects resembling ring structures, that clearly depart from the original convergence map. Conclusions: Overfitting lensing data with a non-parametric method can produce ring-like structures similar to the alleged one in CL0024.

Implementing quantum optics with parametrically driven superconducting circuits

NASA Astrophysics Data System (ADS)

Aumentado, Jose

Parametric coupling has received much attention, in part because it forms the core of many low-noise amplifiers in superconducting quantum information experiments. However, parametric coupling in superconducting circuits is, as a general rule, simple to generate and forms the basis of a methodology for interacting microwave fields at different frequencies. In the quantum regime, this has important consequences, allowing relative novices to do experiments in superconducting circuits today that were previously heroic efforts in quantum optics and cavity-QED. In this talk, I'll give an overview of some of our work demonstrating parametric coupling within the context of circuit-QED as well as some of the possibilities this concept creates in our field.

A Parametric Study of Erupting Flux Rope Rotation: Modeling the 'Cartwheel CME' on 9 April 2008

NASA Technical Reports Server (NTRS)

Kliem, B.; Toeroek, T.; Thompson, W. T.

2012-01-01

The rotation of erupting filaments in the solar corona is addressed through a parametric simulation study of unstable, rotating flux ropes in bipolar force-free initial equilibrium. The Lorentz force due to the external shear-field component and the relaxation of tension in the twisted field are the major contributors to the rotation in this model, while reconnection with the ambient field is of minor importance, due to the field's simple structure. In the low-beta corona, the rotation is not guided by the changing orientation of the vertical field component's polarity inversion line with height. The model yields strong initial rotations which saturate in the corona and differ qualitatively from the profile of rotation vs. height obtained in a recent simulation of an eruption without preexisting flux rope. Both major mechanisms writhe the flux rope axis, converting part of the initial twist helicity, and produce rotation profiles which, to a large part, are very similar within a range of shear-twist combinations. A difference lies in the tendency of twist-driven rotation to saturate at lower heights than shear-driven rotation. For parameters characteristic of the source regions of erupting filaments and coronal mass ejections, the shear field is found to be the dominant origin of rotations in the corona and to be required if the rotation reaches angles of order 90 degrees and higher; it dominates even if the twist exceeds the threshold of the helical kink instability. The contributions by shear and twist to the total rotation can be disentangled in the analysis of observations if the rotation and rise profiles are simultaneously compared with model calculations. The resulting twist estimate allows one to judge whether the helical kink instability occurred. This is demonstrated for the erupting prominence in the "Cartwheel CME" on 9 April 2008, which has shown a rotation of approximately 115 deg. up to a height of 1.5 Solar R above the photosphere. Out of a range of initial equilibria which include strongly kink-unstable (Phi = 5 pi), weakly kink-unstable (Phi = 3.5 pi), and kink-stable (Phi = 2.5 pi) configurations, only the evolution of the weakly kink-unstable flux rope matches the observations in their entirety.

A numerical study on piezoelectric energy harvesting by combining transverse galloping and parametric instability phenomena

NASA Astrophysics Data System (ADS)

Franzini, Guilherme Rosa; Santos, Rebeca Caramêz Saraiva; Pesce, Celso Pupo

2017-12-01

This paper aims to numerically investigate the effects of parametric instability on piezoelectric energy harvesting from the transverse galloping of a square prism. A two degrees-of-freedom reduced-order model for this problem is proposed and numerically integrated. A usual quasi-steady galloping model is applied, where the transverse force coefficient is adopted as a cubic polynomial function with respect to the angle of attack. Time-histories of nondimensional prism displacement, electric voltage and power dissipated at both the dashpot and the electrical resistance are obtained as functions of the reduced velocity. Both, oscillation amplitude and electric voltage, increased with the reduced velocity for all parametric excitation conditions tested. For low values of reduced velocity, 2:1 parametric excitation enhances the electric voltage. On the other hand, for higher reduced velocities, a 1:1 parametric excitation (i.e., the same as the natural frequency) enhances both oscillation amplitude and electric voltage. It has been also found that, depending on the parametric excitation frequency, the harvested electrical power can be amplified in 70% when compared to the case under no parametric excitation.

Centrifugal acceleration of ions in the polar magnetosphere

NASA Technical Reports Server (NTRS)

Swinney, Kenneth R.; Horwitz, James L.; Delcourt, D.

1987-01-01

The transport of ionospheric ions originating near the dayside cusp into the magnetotail is parametrically studied using a 3-D model of ion trajectories. It is shown that the centrifugal term in the guiding center parallel force equation dominates the parallel motion after about 4 Re geocentric distance. The dependence of the equatorial crossing distance on initial latitude, energy and convection electric field is presented for ions originating on the dayside ionosphere in the noon-midnight plane. It is also found that up to altitudes of about 5 Re, the motion is similar to that of a bead on a rotating rod, for which a simple analytical solution exists.

Sensitivity of atmospheric muon flux calculation to low energy hadronic interaction models

NASA Astrophysics Data System (ADS)

Djemil, T.; Attallah, R.; Capdevielle, J. N.

2007-10-01

We investigate in this paper the impact of some up-to-date hadronic interaction models on the calculation of the atmospheric muon flux. Calculations are carried out with the air shower simulation code CORSIKA in combination with the hadronic interaction models FLUKA and UrQMD below 80 GeV/nucleon and NEXUS elsewhere. We also examine the atmospheric effects using two different parametrizations of the US standard atmosphere. The cosmic ray spectra of protons and α particles, the only primary particles considered here, are taken according to the force field model which describes properly solar modulation. Numerical results are compared with the BESS-2001 experimental data.

Effect of Micro-Bubbles in Water on Beam Patterns of Parametric Array

NASA Astrophysics Data System (ADS)

Hashiba, Kunio; Masuzawa, Hiroshi

2003-05-01

The improvement in efficiency of a parametric array by nonlinear oscillation of micro-bubbles in water is studied in this paper. The micro-bubble oscillation can increase the nonlinear coefficient of the acoustic medium. The amplitude of the difference-frequency wave along the longitudinal axis and its beam patterns in the field including the layer with micro-bubbles were analyzed using a Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation. As a result, the largest improvement in efficiency was obtained and a narrow parametric beam was formed by forming a layer with micro-bubbles in front of a parametric sound radiator as thick as about the shock formation distance. If the layer becomes significantly thicker than the distance, the beam of the difference-frequency wave in the far-field will become broader. If the layer is significantly thinner than the distance, the intensity level of the wave in the far-field will be too low.

Self-Similar Apical Sharpening of an Ideal Perfecting Conducting Fluid Subject to Maxwell Stresses

NASA Astrophysics Data System (ADS)

Zhou, Chengzhe; Troian, Sandra M.

2016-11-01

We examine the apical behavior of an ideal, perfectly conducting incompressible fluid surrounded by vacuum in circumstances where the capillary, Maxwell and inertial forces contribute to formation of a liquid cone. A previous model based on potential flow describes a family of self-similar solutions with conic cusps whose interior angles approach the Taylor cone angle. These solutions were obtained by matching powers of the leading order terms in the velocity and electric field potential to the asymptotic form dictated by a stationary cone shape. In re-examining this earlier work, we have found a more important, neglected leading order term in the velocity and field potentials, which satisfies the governing, interfacial and far-field conditions as well. This term allows for the development of additional self-similar, sharpening apical shapes, including time reversed solutions for conic tip recoil after fluid ejection. We outline the boundary-element technique for solving the exact similarity solutions, which have parametric dependence on the far-field conditions, and discuss consequences of our findings.

Nonperturbative renormalization group study of the stochastic Navier-Stokes equation.

PubMed

Mejía-Monasterio, Carlos; Muratore-Ginanneschi, Paolo

2012-07-01

We study the renormalization group flow of the average action of the stochastic Navier-Stokes equation with power-law forcing. Using Galilean invariance, we introduce a nonperturbative approximation adapted to the zero-frequency sector of the theory in the parametric range of the Hölder exponent 4-2ε of the forcing where real-space local interactions are relevant. In any spatial dimension d, we observe the convergence of the resulting renormalization group flow to a unique fixed point which yields a kinetic energy spectrum scaling in agreement with canonical dimension analysis. Kolmogorov's -5/3 law is, thus, recovered for ε = 2 as also predicted by perturbative renormalization. At variance with the perturbative prediction, the -5/3 law emerges in the presence of a saturation in the ε dependence of the scaling dimension of the eddy diffusivity at ε = 3/2 when, according to perturbative renormalization, the velocity field becomes infrared relevant.

Effects of structural flexibility of wings in flapping flight of butterfly.

PubMed

Senda, Kei; Obara, Takuya; Kitamura, Masahiko; Yokoyama, Naoto; Hirai, Norio; Iima, Makoto

2012-06-01

The objective of this paper is to clarify the effects of structural flexibility of wings of a butterfly in flapping flight. For this purpose, a dynamics model of a butterfly is derived by Lagrange's method, where the butterfly is considered as a rigid multi-body system. The panel method is employed to simulate the flow field and the aerodynamic forces acting on the wings. The mathematical model is validated by the agreement of the numerical result with the experimentally measured data. Then, periodic orbits of flapping-of-wings flights are parametrically searched in order to fly the butterfly models. Almost periodic orbits are found, but they are unstable. Deformation of the wings is modeled in two ways. One is bending and its effect on the aerodynamic forces is discussed. The other is passive wing torsion caused by structural flexibility. Numerical simulations demonstrate that flexible torsion reduces the flight instability.

Multiphysics modelling of the separation of suspended particles via frequency ramping of ultrasonic standing waves.

PubMed

Trujillo, Francisco J; Eberhardt, Sebastian; Möller, Dirk; Dual, Jurg; Knoerzer, Kai

2013-03-01

A model was developed to determine the local changes of concentration of particles and the formations of bands induced by a standing acoustic wave field subjected to a sawtooth frequency ramping pattern. The mass transport equation was modified to incorporate the effect of acoustic forces on the concentration of particles. This was achieved by balancing the forces acting on particles. The frequency ramping was implemented as a parametric sweep for the time harmonic frequency response in time steps of 0.1s. The physics phenomena of piezoelectricity, acoustic fields and diffusion of particles were coupled and solved in COMSOL Multiphysics™ (COMSOL AB, Stockholm, Sweden) following a three step approach. The first step solves the governing partial differential equations describing the acoustic field by assuming that the pressure field achieves a pseudo steady state. In the second step, the acoustic radiation force is calculated from the pressure field. The final step allows calculating the locally changing concentration of particles as a function of time by solving the modified equation of particle transport. The diffusivity was calculated as function of concentration following the Garg and Ruthven equation which describes the steep increase of diffusivity when the concentration approaches saturation. However, it was found that this steep increase creates numerical instabilities at high voltages (in the piezoelectricity equations) and high initial particle concentration. The model was simplified to a pseudo one-dimensional case due to computation power limitations. The predicted particle distribution calculated with the model is in good agreement with the experimental data as it follows accurately the movement of the bands in the centre of the chamber. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.

Improved classical united-atom force field for imidazolium-based ionic liquids: tetrafluoroborate, hexafluorophosphate, methylsulfate, trifluoromethylsulfonate, acetate, trifluoroacetate, and bis(trifluoromethylsulfonyl)amide.

PubMed

Zhong, Xiujuan; Liu, Zhiping; Cao, Dapeng

2011-08-25

A cost-effective, classical united-atom (UA) force field for ionic liquids (ILs) was proposed, which can be used in simulations of ILs composed by 1-alkyl-3-methyl-imidazolium cations ([C(n)mim](+)) and seven kinds of anions, including tetrafluoroborate ([BF(4)](-)), hexafluorophosphate ([PF(6)](-)), methylsulfate ([CH(3)SO(4)](-)), trifluoromethylsulfonate ([CF(3)SO(3)](-)), acetate ([CH(3)CO(2)](-)), trifluoroacetate ([CF(3)CO(2)](-)), and bis(trifluoromethylsulfonyl)amide ([NTf(2)](-)). The same strategy in our previous work (J. Phys. Chem. B 2010, 114, 4572) was used to parametrize the force field, in which the effective atom partial charges are fitted by the electrostatic potential surface (ESP) of ion pair dimers to account for the overall effects of polarization in ILs. The total charges (absolute values) on the cation/anion are in the range of 0.64-0.75, which are rescaled to 0.8 for all kinds of ions by a compromise between transferability and accuracy. Extensive molecular dynamics (MD) simulations were performed over a wide range of temperatures to validate the force field, especially on the enthalpies of vaporization (ΔH(vap)) and transport properties, including the self-diffusion coefficient and shear viscosity. The liquid densities were predicted very well for all of the ILs studied in this work with typical deviations of less than 1%. The simulated ΔH(vap) at 298 and 500 K are also in good agreement with the measured values by different experimental methods, with a slight overestimation of about 5 kJ/mol. The influence of ΔC(p) (the difference between the molar heat capacity at constant pressure of the gas and that of liquid) on the calculation of ΔH(vap) is also discussed. The transport coefficients were estimated by the equilibrium MD method using 20-60 ns trajectories to improve the sampling. The proposed force field gives a good description of the self-diffusion coefficients and shear viscosities, which is comparable to the recently developed polarizable force field. Although slightly lower dynamics is found in simulations by our force field, the order of magnitude of the self-diffusion coefficient and viscosity are reproduced for all the ILs very well over a wide temperature range. The largest underestimation of the self-diffusion coefficient is about one-third of the experimental values, while the largest overestimation of the viscosity is about two times the experimental values. © 2011 American Chemical Society

Parametric Amplification Protocol for Frequency-Modulated Magnetic Resonance Force Microscopy Signals

NASA Astrophysics Data System (ADS)

Harrell, Lee; Moore, Eric; Lee, Sanggap; Hickman, Steven; Marohn, John

2011-03-01

We present data and theoretical signal and noise calculations for a protocol using parametric amplification to evade the inherent tradeoff between signal and detector frequency noise in force-gradient magnetic resonance force microscopy signals, which are manifested as a modulated frequency shift of a high- Q microcantilever. Substrate-induced frequency noise has a 1 / f frequency dependence, while detector noise exhibits an f2 dependence on modulation frequency f . Modulation of sample spins at a frequency that minimizes these two contributions typically results in a surface frequency noise power an order of magnitude or more above the thermal limit and may prove incompatible with sample spin relaxation times as well. We show that the frequency modulated force-gradient signal can be used to excite the fundamental resonant mode of the cantilever, resulting in an audio frequency amplitude signal that is readily detected with a low-noise fiber optic interferometer. This technique allows us to modulate the force-gradient signal at a sufficiently high frequency so that substrate-induced frequency noise is evaded without subjecting the signal to the normal f2 detector noise of conventional demodulation.

Optimization of Analytical Potentials for Coarse-Grained Biopolymer Models.

PubMed

Mereghetti, Paolo; Maccari, Giuseppe; Spampinato, Giulia Lia Beatrice; Tozzini, Valentina

2016-08-25

The increasing trend in the recent literature on coarse grained (CG) models testifies their impact in the study of complex systems. However, the CG model landscape is variegated: even considering a given resolution level, the force fields are very heterogeneous and optimized with very different parametrization procedures. Along the road for standardization of CG models for biopolymers, here we describe a strategy to aid building and optimization of statistics based analytical force fields and its implementation in the software package AsParaGS (Assisted Parameterization platform for coarse Grained modelS). Our method is based on the use and optimization of analytical potentials, optimized by targeting internal variables statistical distributions by means of the combination of different algorithms (i.e., relative entropy driven stochastic exploration of the parameter space and iterative Boltzmann inversion). This allows designing a custom model that endows the force field terms with a physically sound meaning. Furthermore, the level of transferability and accuracy can be tuned through the choice of statistical data set composition. The method-illustrated by means of applications to helical polypeptides-also involves the analysis of two and three variable distributions, and allows handling issues related to the FF term correlations. AsParaGS is interfaced with general-purpose molecular dynamics codes and currently implements the "minimalist" subclass of CG models (i.e., one bead per amino acid, Cα based). Extensions to nucleic acids and different levels of coarse graining are in the course.

Understanding uncertainty in precipitation changes in a balanced perturbed-physics ensemble under multiple climate forcings

NASA Astrophysics Data System (ADS)

Millar, R.; Ingram, W.; Allen, M. R.; Lowe, J.

2013-12-01

Temperature and precipitation patterns are the climate variables with the greatest impacts on both natural and human systems. Due to the small spatial scales and the many interactions involved in the global hydrological cycle, in general circulation models (GCMs) representations of precipitation changes are subject to considerable uncertainty. Quantifying and understanding the causes of uncertainty (and identifying robust features of predictions) in both global and local precipitation change is an essential challenge of climate science. We have used the huge distributed computing capacity of the climateprediction.net citizen science project to examine parametric uncertainty in an ensemble of 20,000 perturbed-physics versions of the HadCM3 general circulation model. The ensemble has been selected to have a control climate in top-of-atmosphere energy balance [Yamazaki et al. 2013, J.G.R.]. We force this ensemble with several idealised climate-forcing scenarios including carbon dioxide step and transient profiles, solar radiation management geoengineering experiments with stratospheric aerosols, and short-lived climate forcing agents. We will present the results from several of these forcing scenarios under GCM parametric uncertainty. We examine the global mean precipitation energy budget to understand the robustness of a simple non-linear global precipitation model [Good et al. 2012, Clim. Dyn.] as a better explanation of precipitation changes in transient climate projections under GCM parametric uncertainty than a simple linear tropospheric energy balance model. We will also present work investigating robust conclusions about precipitation changes in a balanced ensemble of idealised solar radiation management scenarios [Kravitz et al. 2011, Atmos. Sci. Let.].

Parametric Symmetry Breaking in a Nonlinear Resonator

NASA Astrophysics Data System (ADS)

Leuch, Anina; Papariello, Luca; Zilberberg, Oded; Degen, Christian L.; Chitra, R.; Eichler, Alexander

2016-11-01

Much of the physical world around us can be described in terms of harmonic oscillators in thermodynamic equilibrium. At the same time, the far-from-equilibrium behavior of oscillators is important in many aspects of modern physics. Here, we investigate a resonating system subject to a fundamental interplay between intrinsic nonlinearities and a combination of several driving forces. We have constructed a controllable and robust realization of such a system using a macroscopic doubly clamped string. We experimentally observe a hitherto unseen double hysteresis in both the amplitude and the phase of the resonator's response function and present a theoretical model that is in excellent agreement with the experiment. Our work unveils that the double hysteresis is a manifestation of an out-of-equilibrium symmetry breaking between parametric phase states. Such a fundamental phenomenon, in the most ubiquitous building block of nature, paves the way for the investigation of new dynamical phases of matter in parametrically driven many-body systems and motivates applications ranging from ultrasensitive force detection to low-energy computing memory units.

Scalability of the muscular action in a parametric 3D model of the index finger.

PubMed

Sancho-Bru, Joaquín L; Vergara, Margarita; Rodríguez-Cervantes, Pablo-Jesús; Giurintano, David J; Pérez-González, Antonio

2008-01-01

A method for scaling the muscle action is proposed and used to achieve a 3D inverse dynamic model of the human finger with all its components scalable. This method is based on scaling the physiological cross-sectional area (PCSA) in a Hill muscle model. Different anthropometric parameters and maximal grip force data have been measured and their correlations have been analyzed and used for scaling the PCSA of each muscle. A linear relationship between the normalized PCSA and the product of the length and breadth of the hand has been finally used for scaling, with a slope of 0.01315 cm(-2), with the length and breadth of the hand expressed in centimeters. The parametric muscle model has been included in a parametric finger model previously developed by the authors, and it has been validated reproducing the results of an experiment in which subjects from different population groups exerted maximal voluntary forces with their index finger in a controlled posture.

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

PubMed Central

Bauer, Brad A.; Patel, Sandeep

2009-01-01

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of Tc=623 K, ρc=0.351 g∕cm3, and Pc=250.9 atm, which are in good agreement with experimental values of Tc=647.1 K, ρc=0.322 g∕cm3, and Pc=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (Tc=631 K and ρc=0.308 g∕cm3). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300–450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase-dependent polarizability with dispersion interactions in classical water force fields may be an important effect for the extension of polarizable water force fields to reproduce properties along the liquid-vapor coexistence envelope as well as near critical conditions. More importantly, the present study demonstrates the rather remarkable transferability of a water model parametrized to a single state point to other thermodynamic states. Further studies are recommended. PMID:19725623

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

PubMed

Bauer, Brad A; Patel, Sandeep

2009-08-28

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of T(c)=623 K, rho(c)=0.351 g/cm(3), and P(c)=250.9 atm, which are in good agreement with experimental values of T(c)=647.1 K, rho(c)=0.322 g/cm(3), and P(c)=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (T(c)=631 K and rho(c)=0.308 g/cm(3)). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300-450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase-dependent polarizability with dispersion interactions in classical water force fields may be an important effect for the extension of polarizable water force fields to reproduce properties along the liquid-vapor coexistence envelope as well as near critical conditions. More importantly, the present study demonstrates the rather remarkable transferability of a water model parametrized to a single state point to other thermodynamic states. Further studies are recommended.

Generalized parametric down conversion, many particle interferometry, and Bell's theorem

NASA Technical Reports Server (NTRS)

Choi, Hyung Sup

1992-01-01

A new field of multi-particle interferometry is introduced using a nonlinear optical spontaneous parametric down conversion (SPDC) of a photon into more than two photons. The study of SPDC using a realistic Hamiltonian in a multi-mode shows that at least a low conversion rate limit is possible. The down converted field exhibits many stronger nonclassical phenomena than the usual two photon parametric down conversion. Application of the multi-particle interferometry to a recently proposed many particle Bell's theorem on the Einstein-Podolsky-Rosen problem is given.

Quantum Treatment of Two Coupled Oscillators in Interaction with a Two-Level Atom:

NASA Astrophysics Data System (ADS)

Khalil, E. M.; Abdalla, M. Sebawe; Obada, A. S.-F.

In this communication we handle a modified model representing the interaction between a two-level atom and two modes of the electromagnetic field in a cavity. The interaction between the modes is assumed to be of a parametric amplifier type. The model consists of two different systems, one represents the Jaynes-Cummings model (atom-field interaction) and the other represents the two mode parametric amplifier model (field-field interaction). After some canonical transformations the constants of the motion have been obtained and used to derive the time evolution operator. The wave function in the Schrödinger picture is constructed and employed to discuss some statistical properties related to the system. Further discussion related to the statistical properties of some physical quantities is given where we have taken into account an initial correlated pair-coherent state for the modes. We concentrate in our examination on the system behavior that occurred as a result of the variation of the parametric amplifier coupling parameter as well as the detuning parameter. It has been shown that the interaction of the parametric amplifier term increases the revival period and consequently longer period of strong interaction between the atom and the fields.

Power method for calculating the far acoustic field of the helicopter lift rotor

NASA Astrophysics Data System (ADS)

Samokhin, V. F.

2011-05-01

A semiempirical method for calculating the far acoustic field of the lift rotor of a helicopter operating in the regime of oblique flow over it is described. The basic parametric relations for the acoustic radiation power of rotor noise components have been obtained on the basis of the Lamb idea that vortex-free motion arises under the action of a periodic force on an infinitely small volume of the medium. All sources of lift rotor noise are subdivided into two groups pertaining, respectively, to the inductive and profile parts of the total power supplied to the rotor. A comparison has been made between the results of calculation of the harmonic components of lift rotor noise made on the basis of the power method and the experimental data for the Mi-28 helicopter.

Oxidative response of human monocytes and macrophages cultured under low oxygen culture conditions to ion parametric resonance magnetic fields.

EPA Science Inventory

INTRODUCTION One proposed mechanism of action of electromagnetic fields (EMFs) on biological systems is the Ion Parametric Resonance (IPR) model, which has been experimentally validated in neuronal PC-12 cells [1, 2]. It proposes that when applied EMFs are tuned to resonate with...

Parametric excitation of tire-wheel assemblies by a stiffness non-uniformity

NASA Astrophysics Data System (ADS)

Stutts, D. S.; Krousgrill, C. M.; Soedel, W.

1995-01-01

A simple model of the effect of a concentrated radial stiffness non-uniformity in a passenger car tire is presented. The model treats the tread band of the tire as a rigid ring supported on a viscoelastic foundation. The distributed radial stiffness is lumped into equivalent horizontal (fore-and-aft) and vertical stiffnesses. The concentrated radial stiffness non-uniformity is modeled by treating the tread band as fixed, and the stiffness non-uniformity as rotating around it at the nominal angular velocity of the wheel. Due to loading, the center of mass of the tread band ring model is displaced upward with respect to the wheel spindle and, therefore, the rotating stiffness non-uniformity is alternately compressed and stretched through one complete rotation. This stretching and compressing of the stiffness non-uniformity results in force transmission to the wheel spindle at twice the nominal angular velocity in frequency, and therefore, would excite a given resonance at one-half the nominal angular wheel velocity that a mass unbalance would. The forcing produced by the stiffness non-uniformity is parametric in nature, thus creating the possibility of parametric resonance. The basic theory of the parametric resonance is explained, and a parameter study using derived lumped parameters based on a typical passenger car tire is performed. This study revealed that parametric resonance in passenger car tires, although possible, is unlikely at normal highway speeds as predicted by this model unless the tire is partially deflated.

Supercritical nonlinear parametric dynamics of Timoshenko microbeams

NASA Astrophysics Data System (ADS)

Farokhi, Hamed; Ghayesh, Mergen H.

2018-06-01

The nonlinear supercritical parametric dynamics of a Timoshenko microbeam subject to an axial harmonic excitation force is examined theoretically, by means of different numerical techniques, and employing a high-dimensional analysis. The time-variant axial load is assumed to consist of a mean value along with harmonic fluctuations. In terms of modelling, a continuous expression for the elastic potential energy of the system is developed based on the modified couple stress theory, taking into account small-size effects; the kinetic energy of the system is also modelled as a continuous function of the displacement field. Hamilton's principle is employed to balance the energies and to obtain the continuous model of the system. Employing the Galerkin scheme along with an assumed-mode technique, the energy terms are reduced, yielding a second-order reduced-order model with finite number of degrees of freedom. A transformation is carried out to convert the second-order reduced-order model into a double-dimensional first order one. A bifurcation analysis is performed for the system in the absence of the axial load fluctuations. Moreover, a mean value for the axial load is selected in the supercritical range, and the principal parametric resonant response, due to the time-variant component of the axial load, is obtained - as opposed to transversely excited systems, for parametrically excited system (such as our problem here), the nonlinear resonance occurs in the vicinity of twice any natural frequency of the linear system; this is accomplished via use of the pseudo-arclength continuation technique, a direct time integration, an eigenvalue analysis, and the Floquet theory for stability. The natural frequencies of the system prior to and beyond buckling are also determined. Moreover, the effect of different system parameters on the nonlinear supercritical parametric dynamics of the system is analysed, with special consideration to the effect of the length-scale parameter.

Nonlinear wave interactions in shallow water magnetohydrodynamics of astrophysical plasma

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

Klimachkov, D. A., E-mail: klimachkovdmitry@gmail.com; Petrosyan, A. S., E-mail: apetrosy@iki.rssi.ru

2016-05-15

The rotating magnetohydrodynamic flows of a thin layer of astrophysical and space plasmas with a free surface in a vertical external magnetic field are considered in the shallow water approximation. The presence of a vertical external magnetic field changes significantly the dynamics of wave processes in an astrophysical plasma, in contrast to a neutral fluid and a plasma layer in an external toroidal magnetic field. There are three-wave nonlinear interactions in the case under consideration. Using the asymptotic method of multiscale expansions, we have derived nonlinear equations for the interaction of wave packets: three magneto- Poincare waves, three magnetostrophic waves,more » two magneto-Poincare and one magnetostrophic waves, and two magnetostrophic and one magneto-Poincare waves. The existence of decay instabilities and parametric amplification is predicted. We show that a magneto-Poincare wave decays into two magneto-Poincare waves, a magnetostrophic wave decays into two magnetostrophic waves, a magneto-Poincare wave decays into one magneto-Poincare and one magnetostrophic waves, and a magnetostrophic wave decays into one magnetostrophic and one magneto-Poincare waves. There are the following parametric amplification mechanisms: the parametric amplification of magneto-Poincare waves, the parametric amplification of magnetostrophic waves, the amplification of a magneto-Poincare wave in the field of a magnetostrophic wave, and the amplification of a magnetostrophic wave in the field of a magneto-Poincare wave. The instability growth rates and parametric amplification factors have been found for the corresponding processes.« less

Stochastic climate dynamics: Stochastic parametrizations and their global effects

NASA Astrophysics Data System (ADS)

Ghil, Michael

2010-05-01

A well-known difficulty in modeling the atmosphere and oceans' general circulation is the limited, albeit increasing resolution possible in the numerical solution of the governing partial differential equations. While the mass, energy and momentum of an individual cloud, in the atmosphere, or convection chimney, in the oceans, is negligible, their combined effects over long times are not. Until recently, small, subgrid-scale processes were represented in general circulation models (GCMs) by deterministic "parametrizations." While A. Arakawa and associates had realized over three decades ago the conceptual need for ensembles of clouds in such parametrizations, it is only very recently that truly stochastic parametrizations have been introduced into GCMs and weather prediction models. These parametrizations essentially transform a deterministic autonomous system into a non-autonomous one, subject to random forcing. To study systematically the long-term effects of such a forcing has to rely on theory of random dynamical systems (RDS). This theory allows one to consider the detailed geometric structure of the random attractors associated with nonlinear, stochastically perturbed systems. These attractors extend the concept of strange attractors from autonomous dynamical systems to non-autonomous systems with random forcing. To illustrate the essence of the theory, its concepts and methods, we carry out a high-resolution numerical study of two "toy" models in their respective phase spaces. This study allows one to obtain a good approximation of their global random attractors, as well as of the time-dependent invariant measures supported by these attractors. The first of the two models studied herein is the Arnol'd family of circle maps in the presence of noise. The maps' fine-grained, resonant landscape --- associated with Arnol'd tongues --- is smoothed by the noise, thus permitting a comparison with the observable aspects of the "Devil's staircase" that arises in modeling the El Nino-Southern Oscillation (ENSO). These results are confirmed by studying a "French garden" that is obtained by smoothing a "Devil's quarry." Such a quarry results from coupling two circle maps, and random forcing leads to a smoothed version thereof. We thus suspect that stochastic parametrizations will stabilize the sensitive dependence on parameters that has been noticed in the development of GCMs. This talk represents joint work with Mickael D. Chekroun, D. Kondrashov, Eric Simonnet and I. Zaliapin. Several other talks and posters complement the results presented here and provide further insights into RDS theory and its application to the geosciences.

Parametric pendulum based wave energy converter

NASA Astrophysics Data System (ADS)

Yurchenko, Daniil; Alevras, Panagiotis

2018-01-01

The paper investigates the dynamics of a novel wave energy converter based on the parametrically excited pendulum. The herein developed concept of the parametric pendulum allows reducing the influence of the gravity force thereby significantly improving the device performance at a regular sea state, which could not be achieved in the earlier proposed original point-absorber design. The suggested design of a wave energy converter achieves a dominant rotational motion without any additional mechanisms, like a gearbox, or any active control involvement. Presented numerical results of deterministic and stochastic modeling clearly reflect the advantage of the proposed design. A set of experimental results confirms the numerical findings and validates the new design of a parametric pendulum based wave energy converter. Power harvesting potential of the novel device is also presented.

RSRA sixth scale wind tunnel test. Tabulated balance data, volume 2

NASA Technical Reports Server (NTRS)

Ruddell, A.; Flemming, R.

1974-01-01

Summaries are presented of all the force and moment data acquired during the RSRA Sixth Scale Wind Tunnel Test. These data include and supplement the data presented in curve form in previous reports. Each summary includes the model configuration, wing and empennage incidences and deflections, and recorded balance data. The first group of data in each summary presents the force and moment data in full scale parametric form, the dynamic pressure and velocity in the test section, and the powered nacelle fan speed. The second and third groups of data are the balance data in nondimensional coefficient form. The wind axis coefficient data corresponds to the parametric data divided by the wing area for forces and divided by the product of the wing area and wing span or mean aerodynamic chord for moments. The stability axis data resolves the wind axis data with respect to the angle of yaw.

Pooling sexes when assessing ground reaction forces during walking: Statistical Parametric Mapping versus traditional approach.

PubMed

Castro, Marcelo P; Pataky, Todd C; Sole, Gisela; Vilas-Boas, Joao Paulo

2015-07-16

Ground reaction force (GRF) data from men and women are commonly pooled for analyses. However, it may not be justifiable to pool sexes on the basis of discrete parameters extracted from continuous GRF gait waveforms because this can miss continuous effects. Forty healthy participants (20 men and 20 women) walked at a cadence of 100 steps per minute across two force plates, recording GRFs. Two statistical methods were used to test the null hypothesis of no mean GRF differences between sexes: (i) Statistical Parametric Mapping-using the entire three-component GRF waveform; and (ii) traditional approach-using the first and second vertical GRF peaks. Statistical Parametric Mapping results suggested large sex differences, which post-hoc analyses suggested were due predominantly to higher anterior-posterior and vertical GRFs in early stance in women compared to men. Statistically significant differences were observed for the first GRF peak and similar values for the second GRF peak. These contrasting results emphasise that different parts of the waveform have different signal strengths and thus that one may use the traditional approach to choose arbitrary metrics and make arbitrary conclusions. We suggest that researchers and clinicians consider both the entire gait waveforms and sex-specificity when analysing GRF data. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantum optical measurement with tripartite entangled photons generated by triple parametric down-conversion

NASA Astrophysics Data System (ADS)

Cho, Minhaeng

2018-05-01

Parametric down-conversion is a second-order nonlinear optical process annihilating a pump photon and creating a pair of photons in the signal and idler modes. Then, by using two parametric down-converters and introducing a path indistinguishability for the two generated idler modes, a quantum coherence between two conjugate signal beams can be induced. Such a double spontaneous or stimulated parametric down-conversion scheme has been used to demonstrate quantum spectroscopy and imaging with undetected idler photons via measuring one-photon interference between their correlated signal beams. Recently, we considered another quantum optical measurement scheme utilizing W-type tripartite entangled signal photons that can be generated by employing three spontaneous parametric down-conversion crystals and by inducing coherences or path-indistinguishabilities between their correlated idler beams and between quantum vacuum fields. Here, we consider an extended triple stimulated parametric down-conversion scheme for quantum optical measurement of sample properties with undetected idler and photons. Noting the real effect of vacuum field indistinguishability on the fringe visibility as well as the role of zero-point field energy in the interferometry, we show that this scheme is an ideal and efficient way to create a coherent state of W-type entangled signal photons. We anticipate that this scheme would be of critical use in further developing quantum optical measurements in spectroscopy and microscopy with undetected photons.

Quantum optical measurement with tripartite entangled photons generated by triple parametric down-conversion.

PubMed

Cho, Minhaeng

2018-05-14

Parametric down-conversion is a second-order nonlinear optical process annihilating a pump photon and creating a pair of photons in the signal and idler modes. Then, by using two parametric down-converters and introducing a path indistinguishability for the two generated idler modes, a quantum coherence between two conjugate signal beams can be induced. Such a double spontaneous or stimulated parametric down-conversion scheme has been used to demonstrate quantum spectroscopy and imaging with undetected idler photons via measuring one-photon interference between their correlated signal beams. Recently, we considered another quantum optical measurement scheme utilizing W-type tripartite entangled signal photons that can be generated by employing three spontaneous parametric down-conversion crystals and by inducing coherences or path-indistinguishabilities between their correlated idler beams and between quantum vacuum fields. Here, we consider an extended triple stimulated parametric down-conversion scheme for quantum optical measurement of sample properties with undetected idler and photons. Noting the real effect of vacuum field indistinguishability on the fringe visibility as well as the role of zero-point field energy in the interferometry, we show that this scheme is an ideal and efficient way to create a coherent state of W-type entangled signal photons. We anticipate that this scheme would be of critical use in further developing quantum optical measurements in spectroscopy and microscopy with undetected photons.

Testing a new flux rope model using the HELCATS CME catalogue

NASA Astrophysics Data System (ADS)

Rouillard, Alexis Paul; Lavarra, Michael

2017-04-01

We present a magnetically-driven flux rope model that computes the forces acting on a twisted magnetic flux rope from the Sun to 1AU. This model assumes a more realistic flux rope geometry than assumed before by these types of models. The balance of force is computed in an analogous manner to the well-known Chen flux-rope model. The 3-D vector components of the magnetic field measured by a probe flying through the flux rope can be extracted for any flux rope orientation imposed near the Sun. We test this model through a parametric study and a systematic comparison of the model with the HELCATS catalogues (imagery and in situ). We also report on our investigations of other physical mechanisms such as the shift of flux-surfaces associated with the magnetic forces acting to accelerate the flux rope from the lower to upper corona. Finally, we present an evaluation of this model for space-weather predictions. This work was partly funded by the HELCATS project under the FP7 EU contract number 606692.

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

Parametric instability of shaft with discs

NASA Astrophysics Data System (ADS)

Wahab, A. M. Abdul; Rasid, Z. A.; Abu, A.; Rudin, N. F. Mohd Noor

2017-12-01

The occurrence of resonance is a major criterion to be considered in the design of shaft. While force resonance occurs merely when the natural frequency of the rotor system equals speed of the shaft, parametric resonance or parametric instability can occur at excitation speed that is integral or sub-multiple of the frequency of the rotor. This makes the study on parametric resonance crucial. Parametric instability of a shaft system consisting of a shaft and disks has been investigated in this study. The finite element formulation of the Mathieu-Hill equation that represents the parametric instability problem of the shaft is developed based on Timoshenko’s beam theory and Nelson’s finite element method (FEM) model that considers the effect of torsional motion on such problem. The Bolotin’s method is used to determine the regions of instability and the Strut-Ince diagram. The validation works show that the results of this study are in close agreement to past results. It is found that a larger radius of disk will cause the shaft to become more unstable compared to smaller radius although both weights are similar. Furthermore, the effect of torsional motion on the parametric instability of the shaft is significant at higher rotating speed.

Force Reduction Impacts on Resourcing Army Operational Requirements

DTIC Science & Technology

2017-03-10

scenarios involving parametric changes to demand for and supply of manpower and equipment from the institutional Army. This type of mission- based ...i SPECIAL REPORT Force Reduction Impacts on Resourcing Army Operational Requirements By Dynamics Research Corporation In Partial... Research .................................................................................................. 12 2.1.2 Identifying and Collecting Unit

Optical Parametric Amplification of Single Photon: Statistical Properties and Quantum Interference

NASA Astrophysics Data System (ADS)

Xu, Xue-Xiang; Yuan, Hong-Chun

2014-05-01

By using phase space method, we theoretically investigate the quantum statistical properties and quantum interference of optical parametric amplification of single photon. The statistical properties, such as the Wigner function (WF), average photon number, photon number distribution and parity, are derived analytically for the fields of the two output ports. The results indicate that the fields in the output ports are multiphoton states rather than single photon state due to the amplification of the optical parametric amplifiers (OPA). In addition, the phase sensitivity is also examined by using the detection scheme of parity measurement.

The First Ionization Potential Effect from the Ponderomotive Force: On the Polarization and Coronal Origin of Alfvén Waves

NASA Astrophysics Data System (ADS)

Laming, J. Martin

2017-08-01

We investigate in more detail the origin of chromospheric Alfvén waves that give rise to the separation of ions and neutrals—the first ionization potential (FIP) effect—through the action of the ponderomotive force. In open field regions, we model the dependence of fractionation on the plasma upflow velocity through the chromosphere for both shear (or planar) and torsional Alfvén waves of photospheric origin. These differ mainly in their parametric coupling to slow mode waves. Shear Alfvén waves appear to reproduce observed fractionations for a wider range of model parameters and present less of a “fine-tuning” problem than do torsional waves. In closed field regions, we study the fractionations produced by Alfvén waves with photospheric and coronal origins. Waves with a coronal origin, at or close to resonance with the coronal loop, offer a significantly better match to observed abundances than do photospheric waves, with shear and torsional waves in such a case giving essentially indistinguishable fractionations. Such coronal waves are likely the result of a nanoflare coronal heating mechanism that, as well as heating coronal plasmas, releases Alfvén waves that can travel down to loop footpoints and cause FIP fractionation through the ponderomotive force as they reflect from the chromosphere back into the corona.

The First Ionization Potential Effect from the Ponderomotive Force: On the Polarization and Coronal Origin of Alfvén Waves

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

Laming, J. Martin, E-mail: laming@nrl.navy.mil

We investigate in more detail the origin of chromospheric Alfvén waves that give rise to the separation of ions and neutrals—the first ionization potential (FIP) effect—through the action of the ponderomotive force. In open field regions, we model the dependence of fractionation on the plasma upflow velocity through the chromosphere for both shear (or planar) and torsional Alfvén waves of photospheric origin. These differ mainly in their parametric coupling to slow mode waves. Shear Alfvén waves appear to reproduce observed fractionations for a wider range of model parameters and present less of a “fine-tuning” problem than do torsional waves. Inmore » closed field regions, we study the fractionations produced by Alfvén waves with photospheric and coronal origins. Waves with a coronal origin, at or close to resonance with the coronal loop, offer a significantly better match to observed abundances than do photospheric waves, with shear and torsional waves in such a case giving essentially indistinguishable fractionations. Such coronal waves are likely the result of a nanoflare coronal heating mechanism that, as well as heating coronal plasmas, releases Alfvén waves that can travel down to loop footpoints and cause FIP fractionation through the ponderomotive force as they reflect from the chromosphere back into the corona.« less

Radiation reaction effect on laser driven auto-resonant particle acceleration

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

Sagar, Vikram; Sengupta, Sudip; Kaw, P. K.

2015-12-15

The effects of radiation reaction force on laser driven auto-resonant particle acceleration scheme are studied using Landau-Lifshitz equation of motion. These studies are carried out for both linear and circularly polarized laser fields in the presence of static axial magnetic field. From the parametric study, a radiation reaction dominated region has been identified in which the particle dynamics is greatly effected by this force. In the radiation reaction dominated region, the two significant effects on particle dynamics are seen, viz., (1) saturation in energy gain by the initially resonant particle and (2) net energy gain by an initially non-resonant particlemore » which is caused due to resonance broadening. It has been further shown that with the relaxation of resonance condition and with optimum choice of parameters, this scheme may become competitive with the other present-day laser driven particle acceleration schemes. The quantum corrections to the Landau-Lifshitz equation of motion have also been taken into account. The difference in the energy gain estimates of the particle by the quantum corrected and classical Landau-Lifshitz equation is found to be insignificant for the present day as well as upcoming laser facilities.« less

Coaxial Dump Ramjet Combustor Combustion Instabilities. Part I. Parametric Test Data.

DTIC Science & Technology

1981-07-01

AD-AIII 355 COAXIAL DUP RA8.? COMBUSTOR COMBUSTION INSTABILITIES I/~ PART I PARAUER1C. 1111 AIR FORCE WRIONT AERONUTICAL LAOS WRIOIII-PATTERSOll...MICROCOPY RESOLUTION TEST CHART NATIONAL BUREAU OF STANOAROS - 193- A AFWAL-TR-81 -2047 Part 1 COAXIAL DUMP RAMJET COMBUSTOR COMBUSTION INSTABILITIES PART...COMBUSTOR Interim Report for Period COMBUSTION INSTABILITIES February 1979 - March 1980 Part I - Parametric Test Data S. PERFORMING ORG. REPORT NUMBER 7

Parametric Oscillation, Frequency Mixing, and Injection Locking of Strongly Coupled Nanomechanical Resonator Modes.

PubMed

Seitner, Maximilian J; Abdi, Mehdi; Ridolfo, Alessandro; Hartmann, Michael J; Weig, Eva M

2017-06-23

We study locking phenomena of two strongly coupled, high quality factor nanomechanical resonator modes to a common parametric drive at a single drive frequency in different parametric driving regimes. By controlled dielectric gradient forces we tune the resonance frequencies of the flexural in-plane and out-of-plane oscillation of the high stress silicon nitride string through their mutual avoided crossing. For the case of the strong common parametric drive signal-idler generation via nondegenerate parametric two-mode oscillation is observed. Broadband frequency tuning of the very narrow linewidth signal and idler resonances is demonstrated. When the resonance frequencies of the signal and idler get closer to each other, partial injection locking, injection pulling, and complete injection locking to half of the drive frequency occurs depending on the pump strength. Furthermore, satellite resonances, symmetrically offset from the signal and idler by their beat note, are observed, which can be attributed to degenerate four-wave mixing in the highly nonlinear mechanical oscillations.

Localized parallel parametric generation of spin waves in a Ni{sub 81}Fe{sub 19} waveguide by spatial variation of the pumping field

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

Brächer, T.; Graduate School Materials Science in Mainz, Gottlieb-Daimler-Strasse 47, D-67663 Kaiserslautern; Pirro, P.

2014-03-03

We present the experimental observation of localized parallel parametric generation of spin waves in a transversally in-plane magnetized Ni{sub 81}Fe{sub 19} magnonic waveguide. The localization is realized by combining the threshold character of parametric generation with a spatially confined enhancement of the amplifying microwave field. The latter is achieved by modulating the width of the microstrip transmission line which is used to provide the pumping field. By employing microfocussed Brillouin light scattering spectroscopy, we analyze the spatial distribution of the generated spin waves and compare it with numerical calculations of the field distribution along the Ni{sub 81}Fe{sub 19} waveguide. Thismore » provides a local spin-wave excitation in transversally in-plane magnetized waveguides for a wide wave-vector range which is not restricted by the size of the generation area.« less

Multi-parametric variational data assimilation for hydrological forecasting

NASA Astrophysics Data System (ADS)

Alvarado-Montero, R.; Schwanenberg, D.; Krahe, P.; Helmke, P.; Klein, B.

2017-12-01

Ensemble forecasting is increasingly applied in flow forecasting systems to provide users with a better understanding of forecast uncertainty and consequently to take better-informed decisions. A common practice in probabilistic streamflow forecasting is to force deterministic hydrological model with an ensemble of numerical weather predictions. This approach aims at the representation of meteorological uncertainty but neglects uncertainty of the hydrological model as well as its initial conditions. Complementary approaches use probabilistic data assimilation techniques to receive a variety of initial states or represent model uncertainty by model pools instead of single deterministic models. This paper introduces a novel approach that extends a variational data assimilation based on Moving Horizon Estimation to enable the assimilation of observations into multi-parametric model pools. It results in a probabilistic estimate of initial model states that takes into account the parametric model uncertainty in the data assimilation. The assimilation technique is applied to the uppermost area of River Main in Germany. We use different parametric pools, each of them with five parameter sets, to assimilate streamflow data, as well as remotely sensed data from the H-SAF project. We assess the impact of the assimilation in the lead time performance of perfect forecasts (i.e. observed data as forcing variables) as well as deterministic and probabilistic forecasts from ECMWF. The multi-parametric assimilation shows an improvement of up to 23% for CRPS performance and approximately 20% in Brier Skill Scores with respect to the deterministic approach. It also improves the skill of the forecast in terms of rank histogram and produces a narrower ensemble spread.

Goal-oriented Site Characterization in Hydrogeological Applications: An Overview

NASA Astrophysics Data System (ADS)

Nowak, W.; de Barros, F.; Rubin, Y.

2011-12-01

In this study, we address the importance of goal-oriented site characterization. Given the multiple sources of uncertainty in hydrogeological applications, information needs of modeling, prediction and decision support should be satisfied with efficient and rational field campaigns. In this work, we provide an overview of an optimal sampling design framework based on Bayesian decision theory, statistical parameter inference and Bayesian model averaging. It optimizes the field sampling campaign around decisions on environmental performance metrics (e.g., risk, arrival times, etc.) while accounting for parametric and model uncertainty in the geostatistical characterization, in forcing terms, and measurement error. The appealing aspects of the framework lie on its goal-oriented character and that it is directly linked to the confidence in a specified decision. We illustrate how these concepts could be applied in a human health risk problem where uncertainty from both hydrogeological and health parameters are accounted.

A Semi-Analytical Method for the PDFs of A Ship Rolling in Random Oblique Waves

NASA Astrophysics Data System (ADS)

Liu, Li-qin; Liu, Ya-liu; Xu, Wan-hai; Li, Yan; Tang, You-gang

2018-03-01

The PDFs (probability density functions) and probability of a ship rolling under the random parametric and forced excitations were studied by a semi-analytical method. The rolling motion equation of the ship in random oblique waves was established. The righting arm obtained by the numerical simulation was approximately fitted by an analytical function. The irregular waves were decomposed into two Gauss stationary random processes, and the CARMA (2, 1) model was used to fit the spectral density function of parametric and forced excitations. The stochastic energy envelope averaging method was used to solve the PDFs and the probability. The validity of the semi-analytical method was verified by the Monte Carlo method. The C11 ship was taken as an example, and the influences of the system parameters on the PDFs and probability were analyzed. The results show that the probability of ship rolling is affected by the characteristic wave height, wave length, and the heading angle. In order to provide proper advice for the ship's manoeuvring, the parametric excitations should be considered appropriately when the ship navigates in the oblique seas.

Parametric Amplifier and Oscillator Based on Josephson Junction Circuitry

NASA Astrophysics Data System (ADS)

Yamamoto, T.; Koshino, K.; Nakamura, Y.

While the demand for low-noise amplification is ubiquitous, applications where the quantum-limited noise performance is indispensable are not very common. Microwave parametric amplifiers with near quantum-limited noise performance were first demonstrated more than 20 years ago. However, there had been little effort until recently to improve the performance or the ease of use of these amplifiers, partly because of a lack of any urgent motivation. The emergence of the field of quantum information processing in superconducting systems has changed this situation dramatically. The need to reliably read out the state of a given qubit using a very weak microwave probe within a very short time has led to renewed interest in these quantum-limited microwave amplifiers, which are already widely used as tools in this field. Here, we describe the quantum mechanical theory for one particular parametric amplifier design, called the flux-driven Josephson parametric amplifier, which we developed in 2008. The theory predicts the performance of this parametric amplifier, including its gain, bandwidth, and noise temperature. We also present the phase detection capability of this amplifier when it is operated with a pump power that is above the threshold, i.e., as a parametric phase-locked oscillator or parametron.

Invariant quantities in the scalar-tensor theories of gravitation

NASA Astrophysics Data System (ADS)

Järv, Laur; Kuusk, Piret; Saal, Margus; Vilson, Ott

2015-01-01

We consider the general scalar-tensor gravity without derivative couplings. By rescaling of the metric and reparametrization of the scalar field, the theory can be presented in different conformal frames and parametrizations. In this work we argue that while due to the freedom to transform the metric and the scalar field, the scalar field itself does not carry a physical meaning (in a generic parametrization), there are functions of the scalar field and its derivatives which remain invariant under the transformations. We put forward a scheme to construct these invariants, discuss how to formulate the theory in terms of the invariants, and show how the observables like parametrized post-Newtonian parameters and characteristics of the cosmological solutions can be neatly expressed in terms of the invariants. In particular, we describe the scalar field solutions in Friedmann-Lemaître-Robertson-Walker cosmology in Einstein and Jordan frames and explain their correspondence despite the approximate equations turning out to be linear and nonlinear in different frames.

Unstable force analysis for induction motor eccentricity

NASA Astrophysics Data System (ADS)

Han, Xu; Palazzolo, Alan

2016-05-01

The increasing popularity of motors in machinery trains has led to an intensified interest in the forces they produce that may influence machinery vibration. Motor design typically assumes a uniform air gap, however in practice all motors operate with the rotor slightly displaced from the motor centerline in what is referred to as an eccentric position. Rotor center eccentricity can cause a radially unbalanced magnetic field when the motor is operating. This will results in both a radial force pulling the motor further away from the center, and a tangential force which can induce a vibration stability problem. In this paper, a magnetic equivalent circuit MEC modeling method is proposed to calculate both the radial and tangential motor eccentric force. The treatment of tangential force determination is rarely addressed, but it is very important for rotordynamic vibration stability evaluation. The proposed model is also coupled with the motor electric circuit model to provide capability for transient vibration simulations. FEM is used to verify the MEC model. A parametric study is performed on the motor radial and tangential eccentric forces. Also a Jeffcott rotor model is used to study the influence of the motor eccentric force on mechanical vibration stability and nonlinear behavior. Furthermore, a stability criteria for the bearing damping is provided. The motor radial and tangential eccentric forces are both curved fitted to include their nonlinearity in time domain transient simulation for both a Jeffcott rotor model and a geared machinery train with coupled torsional-lateral motion. Nonlinear motions are observed, including limit cycles and bifurcation induced vibration amplitude jumps.

Cryogenic Impinging Jets Subjected to High Frequency Transverse Acoustic Forcing in a High Pressure Environment

DTIC Science & Technology

2016-07-27

Transverse Acoustic Forcing in a High Pressure Environment 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Mario ...Acoustic Forcing in a High Pressure Environment Mario Roa, Sierra Lobo, Inc. Alex Schumaker, AFRL Doug Talley, AFRL 24-27 July 2016 Joint Propulsion...Distribution A: Approved for Public Release; Distribution Unlimited. PA# 16333 9 Parametric Sweep Super -Critical Results Differences between

Generating an Aerodynamic Model for Projectile Flight Simulation Using Unsteady, Time Accurate Computational Fluid Dynamic Results

DTIC Science & Technology

2006-09-01

Figure 17. Station line center of Magnus force vs. Mach number for spin-stabilized projectile...forces and moments on the projectile. It is also relatively easy to change the wind tunnel model to allow detailed parametric effects to be...such as pitch and roll damping, as well as, Magnus force and moment coefficients, are difficult to obtain in a wind tunnel and require a complex

On the unification of nuclear-structure theory: A response to Bortignon and Broglia

NASA Astrophysics Data System (ADS)

Cook, Norman D.

2016-09-01

Nuclear-structure theory is unusual among the diverse fields of quantum physics. Although it provides a coherent description of all known isotopes on the basis of a quantum-mechanical understanding of nucleon states, nevertheless, in the absence of a fundamental theory of the nuclear force acting between nucleons, the prediction of all ground-state and excited-state nuclear binding energies is inherently semi-empirical. I suggest that progress can be made by returning to the foundational work of Eugene Wigner from 1937, where the mathematical symmetries of nucleon states were first defined. Those symmetries were later successfully exploited in the development of the independent-particle model ( IPM ˜ shell model , but the geometrical implications noted by Wigner were neglected. Here I review how the quantum-mechanical, but remarkably easy-to-understand geometrical interpretation of the IPM provides constraints on the parametrization of the nuclear force. The proposed "geometrical IPM" indicates a way forward toward the unification of nuclear-structure theory that Bortignon and Broglia have called for.

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.

Realization of an omnidirectional source of sound using parametric loudspeakers.

PubMed

Sayin, Umut; Artís, Pere; Guasch, Oriol

2013-09-01

Parametric loudspeakers are often used in beam forming applications where a high directivity is required. Withal, in this paper it is proposed to use such devices to build an omnidirectional source of sound. An initial prototype, the omnidirectional parametric loudspeaker (OPL), consisting of a sphere with hundreds of ultrasonic transducers placed on it has been constructed. The OPL emits audible sound thanks to the parametric acoustic array phenomenon, and the close proximity and the large number of transducers results in the generation of a highly omnidirectional sound field. Comparisons with conventional dodecahedron loudspeakers have been made in terms of directivity, frequency response, and in applications such as the generation of diffuse acoustic fields in reverberant chambers. The OPL prototype has performed better than the conventional loudspeaker especially for frequencies higher than 500 Hz, its main drawback being the difficulty to generate intense pressure levels at low frequencies.

Analytical estimation on divergence and flutter vibrations of symmetrical three-phase induction stator via field-synchronous coordinates

NASA Astrophysics Data System (ADS)

Xia, Ying; Wang, Shiyu; Sun, Wenjia; Xiu, Jie

2017-01-01

The electromagnetically induced parametric vibration of the symmetrical three-phase induction stator is examined. While it can be analyzed by an approximate analytical or numerical method, more accurate and simple analytical method is desirable. This work proposes a new method based on the field-synchronous coordinates. A mechanical-electromagnetic coupling model is developed under this frame such that a time-invariant governing equation with gyroscopic term can be developed. With the general vibration theory, the eigenvalue is formulated; the transition curves between the stable and unstable regions, and response are all determined as closed-form expressions of basic mechanical-electromagnetic parameters. The dependence of these parameters on the instability behaviors is demonstrated. The results imply that the divergence and flutter instabilities can occur even for symmetrical motors with balanced, constant amplitude and sinusoidal voltage. To verify the analytical predictions, this work also builds up a time-variant model of the same system under the conventional inertial frame. The Floquét theory is employed to predict the parametric instability and the numerical integration is used to obtain the parametric response. The parametric instability and response are both well compared against those under the field-synchronous coordinates. The proposed field-synchronous coordinates allows a quick estimation on the electromagnetically induced vibration. The convenience offered by the body-fixed coordinates is discussed across various fields.

Numerical analysis of the dynamic interaction between wheel set and turnout crossing using the explicit finite element method

NASA Astrophysics Data System (ADS)

Xin, L.; Markine, V. L.; Shevtsov, I. Y.

2016-03-01

A three-dimensional (3-D) explicit dynamic finite element (FE) model is developed to simulate the impact of the wheel on the crossing nose. The model consists of a wheel set moving over the turnout crossing. Realistic wheel, wing rail and crossing geometries have been used in the model. Using this model the dynamic responses of the system such as the contact forces between the wheel and the crossing, crossing nose displacements and accelerations, stresses in rail material as well as in sleepers and ballast can be obtained. Detailed analysis of the wheel set and crossing interaction using the local contact stress state in the rail is possible as well, which provides a good basis for prediction of the long-term behaviour of the crossing (fatigue analysis). In order to tune and validate the FE model field measurements conducted on several turnouts in the railway network in the Netherlands are used here. The parametric study including variations of the crossing nose geometries performed here demonstrates the capabilities of the developed model. The results of the validation and parametric study are presented and discussed.

Tropical cyclone induced asymmetry of sea level surge and fall and its presentation in a storm surge model with parametric wind fields

NASA Astrophysics Data System (ADS)

Peng, Machuan; Xie, Lian; Pietrafesa, Leonard J.

The asymmetry of tropical cyclone induced maximum coastal sea level rise (positive surge) and fall (negative surge) is studied using a three-dimensional storm surge model. It is found that the negative surge induced by offshore winds is more sensitive to wind speed and direction changes than the positive surge by onshore winds. As a result, negative surge is inherently more difficult to forecast than positive surge since there is uncertainty in tropical storm wind forecasts. The asymmetry of negative and positive surge under parametric wind forcing is more apparent in shallow water regions. For tropical cyclones with fixed central pressure, the surge asymmetry increases with decreasing storm translation speed. For those with the same translation speed, a weaker tropical cyclone is expected to gain a higher AI (asymmetry index) value though its induced maximum surge and fall are smaller. With fixed RMW (radius of maximum wind), the relationship between central pressure and AI is heterogeneous and depends on the value of RMW. Tropical cyclone's wind inflow angle can also affect surge asymmetry. A set of idealized cases as well as two historic tropical cyclones are used to illustrate the surge asymmetry.

Parametric instability induced by X-mode wave heating at EISCAT

NASA Astrophysics Data System (ADS)

Wang, Xiang; Zhou, Chen; Liu, Moran; Honary, Farideh; Ni, Binbin; Zhao, Zhengyu

2016-10-01

In this paper, we present results of parametric instability induced by X-mode wave heating observed by EISCAT (European Incoherent Scatter Scientific Association) radar at Tromsø, Norway. Three typical X-mode ionospheric heating experiments on 22 October 2013, 19 October 2012, and 21 February 2013 are investigated in details. Both parametric decay instability (PDI) and oscillating two-stream instability are observed during the X-mode heating period. We suggest that the full dispersion relationship of the Langmuir wave can be employed to analyze the X-mode parametric instability excitation. A modified kinetic electron distribution is proposed and analyzed, which is able to satisfy the matching condition of parametric instability excitation. Parallel electric field component of X-mode heating wave can also exceed the parametric instability excitation threshold under certain conditions.

Parametric model of the scala tympani for haptic-rendered cochlear implantation.

PubMed

Todd, Catherine; Naghdy, Fazel

2005-01-01

A parametric model of the human scala tympani has been designed for use in a haptic-rendered computer simulation of cochlear implant surgery. It will be the first surgical simulator of this kind. A geometric model of the Scala Tympani has been derived from measured data for this purpose. The model is compared with two existing descriptions of the cochlear spiral. A first approximation of the basilar membrane is also produced. The structures are imported into a force-rendering software application for system development.

Parametric Investigation of the Effect of Hub Pitching Moment on Blade Vortex Interaction (BVI) Noise of an Isolated Rotor

DTIC Science & Technology

2016-05-19

1 Parametric Investigation of the Effect of Hub Pitching Moment on Blade Vortex Interaction (BVI) Noise of an Isolated Rotor Carlos Malpica...changing the hub pitching moment for an isolated rotor, trimmed in nominal 80 knot, 6 and 12 deg descent, flight conditions, alters the miss distance...compensate for the uncomfortable change in fuselage pitch attitude introduced by a fuselage-mounted X-force controller. NOMENCLATURE xM C rolling

Salt permeation and exclusion in hydroxylated and functionalized silica pores.

PubMed

Leung, Kevin; Rempe, Susan B; Lorenz, Christian D

2006-03-10

We use combined ab initio molecular dynamics (AIMD), grand canonical Monte Carlo, and molecular dynamics techniques to study the effect of pore surface chemistry and confinement on the permeation of salt into silica nanopore arrays filled with water. AIMD shows that 11.6 A diameter hydroxylated silica pores are relatively stable in water, whereas amine groups on functionalized pore surfaces abstract silanol protons, turning into NH3+. Free energy calculations using an ab initio parametrized force field show that the hydroxylated pores strongly attract Na+ and repel Cl- ions. Pores lined with NH3+ have the reverse surface charge polarity. Finally, studies of ions in carbon nanotubes suggest that hydration of Cl- is more strongly frustrated by pure confinement effects than Na+.

Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions.

PubMed

Mannfors, Berit; Palmo, Kim; Krimm, Samuel

2008-12-11

Our ab initio transformed spectroscopically determined force field (SDFF) methodology emphasizes, in addition to accurate structure and energy performance, comparable prediction of vibrational properties in order to improve reproduction of interaction forces. It is now applied to the determination of a molecular mechanics (MM) force field for the water monomer and dimer as an initial step in developing a more physically based treatment of the hydrogen bonding that not only underlies condensed-phase water but also must be important in molecular-level protein-water interactions. Essential electrical components of the SDFF for monomer water are found to be the following: an off-plane charge distribution, this distribution consisting of four off-atom charge sites in traditional lone pair (LP) but also in inverted lone pair (ILP) positions; allowance for a diffuse size to these off-atom sites; and the incorporation of charge fluxes (i.e., the change in charge with change in internal coordinate). Parametrization of such an LP/ILP model together with the SDFF analytically transformed valence force field results in essentially exact agreement with ab initio (in this case MP2/6-31++G(d,p)) structure, electrical, and vibrational properties. Although we demonstrate that the properties of this monomer electrical model together with its van der Waals and polarization interactions are transferable to the dimer, this is not sufficient in reproducing comparable dimer properties, most notably the huge increase in infrared intensity of a donor OH stretch mode. This deficiency, which can be eliminated by a large dipole-derivative-determined change in the effective charge flux of the donor hydrogen-bonded OH bond, is not accounted for by the charge flux change in this bond due to the induction effects of the acceptor electric field alone, and can only be fully removed by an added bond flux associated with the extent of overlap of the wave functions of the two molecules. We show that this overlap charge flux (OCF) emulates an actual O-H...LP-O intermolecular dipole flux, reflecting the unitary nature of the hydrogen-bonded system in the context of MM-separable molecules. The effectiveness of incorporating the OCF noncanonical character demonstrates that a distinctively QM-unique property can be substantively represented in MM energy functions.

Imaging non-Gaussian output fields produced by Josephson parametric amplifiers: experiments

NASA Astrophysics Data System (ADS)

Toyli, D. M.; Venkatramani, A. V.; Boutin, S.; Eddins, A.; Didier, N.; Clerk, A. A.; Blais, A.; Siddiqi, I.

2015-03-01

In recent years, squeezed microwave states have become the focus of intense research motivated by applications in continuous-variables quantum computation and precision qubit measurement. Despite numerous demonstrations of vacuum squeezing with superconducting parametric amplifiers such as the Josephson parametric amplifier (JPA), most experiments have also suggested that the squeezed output field becomes non-ideal at the large (> 10dB) signal gains required for low-noise qubit measurement. Here we describe a systematic experimental study of JPA squeezing performance in this regime for varying lumped-element device designs and pumping methods. We reconstruct the JPA output fields through homodyne detection of the field moments and quantify the deviations from an ideal squeezed state using maximal entropy techniques. These methods provide a powerful diagnostic tool to understand how effects such as gain compression impact JPA squeezing. Our results highlight the importance of weak device nonlinearity for generating highly squeezed states. This work is supported by ARO and ONR.

Application of parametric equations of motion to study the laser induced multiphoton dissociation of H2+ in intense laser field.

PubMed

Kalita, Dhruba J; Rao, Akshay; Rajvanshi, Ishir; Gupta, Ashish K

2011-06-14

We have applied parametric equations of motion (PEM) to study photodissociation dynamics of H(2)(+). The resonances are extracted using smooth exterior scaling method. This is the first application of PEM to non-Hermitian Hamiltonian that includes resonances and the continuum. Here, we have studied how the different resonance states behave with respect to the change in field amplitude. The advantage of this method is that one can easily trace the different states that are changing as the field parameter changes.

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

Gómez, A. M., E-mail: amgomezl-1@uqvirtual.edu.co; Torres, D. A., E-mail: datorresg@unal.edu.co

The experimental study of nuclear magnetic moments, using the Transient Field technique, makes use of spin-orbit hyperfine interactions to generate strong magnetic fields, above the kilo-Tesla regime, capable to create a precession of the nuclear spin. A theoretical description of such magnetic fields is still under theoretical research, and the use of parametrizations is still a common way to address the lack of theoretical information. In this contribution, a review of the main parametrizations utilized in the measurements of Nuclear Magnetic Moments will be presented, the challenges to create a theoretical description from first principles will be discussed.

A combined theoretical and in vitro modeling approach for predicting the magnetic capture and retention of magnetic nanoparticles in vivo

PubMed Central

David, Allan E.; Cole, Adam J.; Chertok, Beata; Park, Yoon Shin; Yang, Victor C.

2011-01-01

Magnetic nanoparticles (MNP) continue to draw considerable attention as potential diagnostic and therapeutic tools in the fight against cancer. Although many interacting forces present themselves during magnetic targeting of MNP to tumors, most theoretical considerations of this process ignore all except for the magnetic and drag forces. Our validation of a simple in vitro model against in vivo data, and subsequent reproduction of the in vitro results with a theoretical model indicated that these two forces do indeed dominate the magnetic capture of MNP. However, because nanoparticles can be subject to aggregation, and large MNP experience an increased magnetic force, the effects of surface forces on MNP stability cannot be ignored. We accounted for the aggregating surface forces simply by measuring the size of MNP retained from flow by magnetic fields, and utilized this size in the mathematical model. This presumably accounted for all particle-particle interactions, including those between magnetic dipoles. Thus, our “corrected” mathematical model provided a reasonable estimate of not only fractional MNP retention, but also predicted the regions of accumulation in a simulated capillary. Furthermore, the model was also utilized to calculate the effects of MNP size and spatial location, relative to the magnet, on targeting of MNPs to tumors. This combination of an in vitro model with a theoretical model could potentially assist with parametric evaluations of magnetic targeting, and enable rapid enhancement and optimization of magnetic targeting methodologies. PMID:21295085

GPU-based Green’s function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models

NASA Astrophysics Data System (ADS)

Yang, Yiqun; Urban, Matthew W.; McGough, Robert J.

2018-05-01

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green’s functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green’s function approach are ideally suited for high-performance GPUs.

Systematic parameter inference in stochastic mesoscopic modeling

NASA Astrophysics Data System (ADS)

Lei, Huan; Yang, Xiu; Li, Zhen; Karniadakis, George Em

2017-02-01

We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the prior knowledge that the coefficients are "sparse". The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.

Practical statistics in pain research.

PubMed

Kim, Tae Kyun

2017-10-01

Pain is subjective, while statistics related to pain research are objective. This review was written to help researchers involved in pain research make statistical decisions. The main issues are related with the level of scales that are often used in pain research, the choice of statistical methods between parametric or nonparametric statistics, and problems which arise from repeated measurements. In the field of pain research, parametric statistics used to be applied in an erroneous way. This is closely related with the scales of data and repeated measurements. The level of scales includes nominal, ordinal, interval, and ratio scales. The level of scales affects the choice of statistics between parametric or non-parametric methods. In the field of pain research, the most frequently used pain assessment scale is the ordinal scale, which would include the visual analogue scale (VAS). There used to be another view, however, which considered the VAS to be an interval or ratio scale, so that the usage of parametric statistics would be accepted practically in some cases. Repeated measurements of the same subjects always complicates statistics. It means that measurements inevitably have correlations between each other, and would preclude the application of one-way ANOVA in which independence between the measurements is necessary. Repeated measures of ANOVA (RMANOVA), however, would permit the comparison between the correlated measurements as long as the condition of sphericity assumption is satisfied. Conclusively, parametric statistical methods should be used only when the assumptions of parametric statistics, such as normality and sphericity, are established.

Optical parametric amplification and oscillation assisted by low-frequency stimulated emission.

PubMed

Longhi, Stefano

2016-04-15

Optical parametric amplification and oscillation provide powerful tools for coherent light generation in spectral regions inaccessible to lasers. Parametric gain is based on a frequency down-conversion process and, thus, it cannot be realized for signal waves at a frequency ω3 higher than the frequency of the pump wave ω1. In this Letter, we suggest a route toward the realization of upconversion optical parametric amplification and oscillation, i.e., amplification of the signal wave by a coherent pump wave of lower frequency, assisted by stimulated emission of the auxiliary idler wave. When the signal field is resonated in an optical cavity, parametric oscillation is obtained. Design parameters for the observation of upconversion optical parametric oscillation at λ3=465 nm are given for a periodically poled lithium-niobate (PPLN) crystal doped with Nd(3+) ions.

A Maximum-Likelihood Approach to Force-Field Calibration.

PubMed

Zaborowski, Bartłomiej; Jagieła, Dawid; Czaplewski, Cezary; Hałabis, Anna; Lewandowska, Agnieszka; Żmudzińska, Wioletta; Ołdziej, Stanisław; Karczyńska, Agnieszka; Omieczynski, Christian; Wirecki, Tomasz; Liwo, Adam

2015-09-28

A new approach to the calibration of the force fields is proposed, in which the force-field parameters are obtained by maximum-likelihood fitting of the calculated conformational ensembles to the experimental ensembles of training system(s). The maximum-likelihood function is composed of logarithms of the Boltzmann probabilities of the experimental conformations, calculated with the current energy function. Because the theoretical distribution is given in the form of the simulated conformations only, the contributions from all of the simulated conformations, with Gaussian weights in the distances from a given experimental conformation, are added to give the contribution to the target function from this conformation. In contrast to earlier methods for force-field calibration, the approach does not suffer from the arbitrariness of dividing the decoy set into native-like and non-native structures; however, if such a division is made instead of using Gaussian weights, application of the maximum-likelihood method results in the well-known energy-gap maximization. The computational procedure consists of cycles of decoy generation and maximum-likelihood-function optimization, which are iterated until convergence is reached. The method was tested with Gaussian distributions and then applied to the physics-based coarse-grained UNRES force field for proteins. The NMR structures of the tryptophan cage, a small α-helical protein, determined at three temperatures (T = 280, 305, and 313 K) by Hałabis et al. ( J. Phys. Chem. B 2012 , 116 , 6898 - 6907 ), were used. Multiplexed replica-exchange molecular dynamics was used to generate the decoys. The iterative procedure exhibited steady convergence. Three variants of optimization were tried: optimization of the energy-term weights alone and use of the experimental ensemble of the folded protein only at T = 280 K (run 1); optimization of the energy-term weights and use of experimental ensembles at all three temperatures (run 2); and optimization of the energy-term weights and the coefficients of the torsional and multibody energy terms and use of experimental ensembles at all three temperatures (run 3). The force fields were subsequently tested with a set of 14 α-helical and two α + β proteins. Optimization run 1 resulted in better agreement with the experimental ensemble at T = 280 K compared with optimization run 2 and in comparable performance on the test set but poorer agreement of the calculated folding temperature with the experimental folding temperature. Optimization run 3 resulted in the best fit of the calculated ensembles to the experimental ones for the tryptophan cage but in much poorer performance on the training set, suggesting that use of a small α-helical protein for extensive force-field calibration resulted in overfitting of the data for this protein at the expense of transferability. The optimized force field resulting from run 2 was found to fold 13 of the 14 tested α-helical proteins and one small α + β protein with the correct topologies; the average structures of 10 of them were predicted with accuracies of about 5 Å C(α) root-mean-square deviation or better. Test simulations with an additional set of 12 α-helical proteins demonstrated that this force field performed better on α-helical proteins than the previous parametrizations of UNRES. The proposed approach is applicable to any problem of maximum-likelihood parameter estimation when the contributions to the maximum-likelihood function cannot be evaluated at the experimental points and the dimension of the configurational space is too high to construct histograms of the experimental distributions.

Transport properties of carbon dioxide and methane from molecular dynamics simulations.

PubMed

Aimoli, C G; Maginn, E J; Abreu, C R A

2014-10-07

Transport properties of carbon dioxide and methane are predicted for temperatures between (273.15 and 573.15) K and pressures up to 800 MPa by molecular dynamics simulations. Viscosities and thermal conductivities were obtained through the Green-Kubo formalism, whereas the Einstein relation was used to provide self-diffusion coefficient estimates. The differences in property predictions due to the force field nature and parametrization were investigated by the comparison of seven different CO2 models (two single-site models, three rigid three-site models, and two fully flexible three-site models) and three different CH4 models (two single-site models and one fully flexible five-site model). The simulation results show good agreement with experimental data, except for thermal conductivities at low densities. The molecular structure and force field parameters play an important role in the accuracy of the simulations, which is within the experimental deviations reported for viscosities and self-diffusion coefficients considering the most accurate CO2 and CH4 models studied. On the other hand, the molecular flexibility does not seem to improve accuracy, since the explicit account of vibrational and bending degrees of freedom in the CO2 flexible models leads to slightly less accurate results. Nonetheless, the use of a correctional term to account for vibrational modes in rigid models generally improves estimations of thermal conductivity values. At extreme densities, the caging effect observed with single-site representations of the molecules restrains mobility and leads to an unphysical overestimation of viscosities and, conversely, to the underestimation of self-diffusion coefficients. This result may help to better understand the limits of applicability of such force fields concerning structural and transport properties of dense systems.

Coupled pendula chains under parametric PT-symmetric driving force

NASA Astrophysics Data System (ADS)

Destyl, E.; Nuiro, S. P.; Pelinovsky, D. E.; Poullet, P.

2017-12-01

We consider a chain of coupled pendula pairs, where each pendulum is connected to the nearest neighbors in the longitudinal and transverse directions. The common strings in each pair are modulated periodically by an external force. In the limit of small coupling and near the 1 : 2 parametric resonance, we derive a novel system of coupled PT-symmetric discrete nonlinear Schrödinger equations, which has Hamiltonian symmetry but has no phase invariance. By using the conserved energy, we find the parameter range for the linear and nonlinear stability of the zero equilibrium. Numerical experiments illustrate how destabilization of the zero equilibrium takes place when the stability constraints are not satisfied. The central pendulum excites nearest pendula and this process continues until a dynamical equilibrium is reached where each pendulum in the chain oscillates at a finite amplitude.

Cooling optically levitated dielectric nanoparticles via parametric feedback

NASA Astrophysics Data System (ADS)

Neukirch, Levi; Rodenburg, Brandon; Bhattacharya, Mishkatul; Vamivakas, Nick

2015-05-01

The inability to leverage resonant scattering processes involving internal degrees of freedom differentiates optical cooling experiments performed with levitated dielectric nanoparticles, from similar atomic and molecular traps. Trapping in optical cavities or the application of active feedback techniques have proven to be effective ways to circumvent this limitation. We present our nanoparticle optical cooling apparatus, which is based on parametric feedback modulation of a single-beam gradient force optical trap. This scheme allows us to achieve effective center-of-mass temperatures well below 1 kelvin for our ~ 1 ×10-18 kg particles, at modest vacuum pressures. The method provides a versatile platform, with parameter tunability not found in conventional tethered nanomechanical systems. Potential applications include investigations of nonequilibrium nanoscale thermodynamics, ultra-sensitive force metrology, and mesoscale quantum mechanics and hybrid systems. Supported by the office of Naval Research award number N000141410442.

Far-from-equilibrium magnetic granular layers: dynamic patterns, magnetic order and self-assembled swimmers

NASA Astrophysics Data System (ADS)

Snezhko, Alexey

2010-03-01

Ensembles of interacting particles subject to an external periodic forcing often develop nontrivial collective behavior and self-assembled dynamic patterns. We study emergent phenomena in magnetic granular ensembles suspended at a liquid-air and liquid-liquid interfaces and subjected to a transversal alternating magnetic field. Experiments reveal a new type of nontrivially ordered dynamic self-assembled structures (in particular, ``magnetic snakes'', ``asters'', ``clams'') emerging in such systems in a certain range of excitation parameters. These non-equilibrium dynamic structures emerge as a result of the competition between magnetic and hydrodynamic forces and have complex magnetic ordering. Transition between different self-assembled phases with parameters of external driving magnetic field is observed. I will show that above some frequency threshold magnetic snakes spontaneously break the symmetry of the self-induced surface flows (symmetry breaking instability) and turn into swimmers. Self-induced surface flows symmetry can be also broken in a controlled fashion by introduction of a large bead to a magnetic snake (bead-snake hybrid), that transforms it into a robust self-locomoting entity. Some features of the self-localized structures can be understood in the framework of an amplitude equation for parametric waves coupled to the conservation law equation describing the evolution of the magnetic particle density and the Navier-Stokes equation for hydrodynamic flows.

Quantum spatial propagation of squeezed light in a degenerate parametric amplifier

NASA Technical Reports Server (NTRS)

Deutsch, Ivan H.; Garrison, John C.

1992-01-01

Differential equations which describe the steady state spatial evolution of nonclassical light are established using standard quantum field theoretic techniques. A Schroedinger equation for the state vector of the optical field is derived using the quantum analog of the slowly varying envelope approximation (SVEA). The steady state solutions are those that satisfy the time independent Schroedinger equation. The resulting eigenvalue problem then leads to the spatial propagation equations. For the degenerate parametric amplifier this method shows that the squeezing parameter obey nonlinear differential equations coupled by the amplifier gain and phase mismatch. The solution to these differential equations is equivalent to one obtained from the classical three wave mixing steady state solution to the parametric amplifier with a nondepleted pump.

Multiple frequency radar observations of high-latitude E region irregularities in the HF modified ionosphere

NASA Technical Reports Server (NTRS)

Noble, S. T.; Gordon, W. E.; Djuth, F. T.; Jost, R. J.; Hedberg, A.

1987-01-01

This paper discusses the results of the September 1983 observations of artificial field-aligned irregularities (AFAIs) in the Tromso, Norway region, made by backscatter radars operating at 46.9, 143.8, 21.4, and 140.0 MHz. Four classes of resonant instability processes at work in the E and F regions are examined in detail: (1) the coupling of parametric decay instability waves across geomagnetic field lines, (2) thermal parametric instability, (3) four-wave interaction thermal parametric instability, and (4) the resonance instability. The characteristics of the AFAI scatter are described, with special attention given to the growth and decay time constants, functional dependence on the heater power and polarization, and the scattering cross sections of the irregularities.

Remote recoil: a new wave mean interaction effect

NASA Astrophysics Data System (ADS)

Bühler, Oliver; McIntyre, Michael E.

2003-10-01

We present a theoretical study of a fundamentally new wave mean or wave vortex interaction effect able to force persistent, cumulative change in mean flows in the absence of wave breaking or other kinds of wave dissipation. It is associated with the refraction of non-dissipating waves by inhomogeneous mean (vortical) flows. The effect is studied in detail in the simplest relevant model, the two-dimensional compressible flow equations with a generic polytropic equation of state. This includes the usual shallow-water equations as a special case. The refraction of a narrow, slowly varying wavetrain of small-amplitude gravity or sound waves obliquely incident on a single weak (low Froude or Mach number) vortex is studied in detail. It is shown that, concomitant with the changes in the waves' pseudomomentum due to the refraction, there is an equal and opposite recoil force that is felt, in effect, by the vortex core. This effective force is called a ‘remote recoil’ to stress that there is no need for the vortex core and wavetrain to overlap in physical space. There is an accompanying ‘far-field recoil’ that is still more remote, as in classical vortex-impulse problems. The remote-recoil effects are studied perturbatively using the wave amplitude and vortex weakness as small parameters. The nature of the remote recoil is demonstrated in various set-ups with wavetrains of finite or infinite length. The effective recoil force {bm R}_V on the vortex core is given by an expression resembling the classical Magnus force felt by moving cylinders with circulation. In the case of wavetrains of infinite length, an explicit formula for the scattering angle theta_* of waves passing a vortex at a distance is derived correct to second order in Froude or Mach number. To this order {bm R}_V {~} theta_*. The formula is cross-checked against numerical integrations of the ray-tracing equations. This work is part of an ongoing study of internal-gravity-wave dynamics in the atmosphere and may be important for the development of future gravity-wave parametrization schemes in numerical models of the global atmospheric circulation. At present, all such schemes neglect remote-recoil effects caused by horizontally inhomogeneous mean flows. Taking these effects into account should make the parametrization schemes significantly more accurate.

S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

PubMed

Chaudret, Robin; Gresh, Nohad; Narth, Christophe; Lagardère, Louis; Darden, Thomas A; Cisneros, G Andrés; Piquemal, Jean-Philip

2014-09-04

We demonstrate as a proof of principle the capabilities of a novel hybrid MM'/MM polarizable force field to integrate short-range quantum effects in molecular mechanics (MM) through the use of Gaussian electrostatics. This lead to a further gain in accuracy in the representation of the first coordination shell of metal ions. It uses advanced electrostatics and couples two point dipole polarizable force fields, namely, the Gaussian electrostatic model (GEM), a model based on density fitting, which uses fitted electronic densities to evaluate nonbonded interactions, and SIBFA (sum of interactions between fragments ab initio computed), which resorts to distributed multipoles. To understand the benefits of the use of Gaussian electrostatics, we evaluate first the accuracy of GEM, which is a pure density-based Gaussian electrostatics model on a test Ca(II)-H2O complex. GEM is shown to further improve the agreement of MM polarization with ab initio reference results. Indeed, GEM introduces nonclassical effects by modeling the short-range quantum behavior of electric fields and therefore enables a straightforward (and selective) inclusion of the sole overlap-dependent exchange-polarization repulsive contribution by means of a Gaussian damping function acting on the GEM fields. The S/G-1 scheme is then introduced. Upon limiting the use of Gaussian electrostatics to metal centers only, it is shown to be able to capture the dominant quantum effects at play on the metal coordination sphere. S/G-1 is able to accurately reproduce ab initio total interaction energies within closed-shell metal complexes regarding each individual contribution including the separate contributions of induction, polarization, and charge-transfer. Applications of the method are provided for various systems including the HIV-1 NCp7-Zn(II) metalloprotein. S/G-1 is then extended to heavy metal complexes. Tested on Hg(II) water complexes, S/G-1 is shown to accurately model polarization up to quadrupolar response level. This opens up the possibility of embodying explicit scalar relativistic effects in molecular mechanics thanks to the direct transferability of ab initio pseudopotentials. Therefore, incorporating GEM-like electron density for a metal cation enable the introduction of nonambiguous short-range quantum effects within any point-dipole based polarizable force field without the need of an extensive parametrization.

Parametric design of tri-axial nested Helmholtz coils

NASA Astrophysics Data System (ADS)

Abbott, Jake J.

2015-05-01

This paper provides an optimal parametric design for tri-axial nested Helmholtz coils, which are used to generate a uniform magnetic field with controllable magnitude and direction. Circular and square coils, both with square cross section, are considered. Practical considerations such as wire selection, wire-wrapping efficiency, wire bending radius, choice of power supply, and inductance and time response are included. Using the equations provided, a designer can quickly create an optimal set of custom coils to generate a specified field magnitude in the uniform-field region while maintaining specified accessibility to the central workspace. An example case study is included.

Parametric design of tri-axial nested Helmholtz coils.

PubMed

Abbott, Jake J

2015-05-01

This paper provides an optimal parametric design for tri-axial nested Helmholtz coils, which are used to generate a uniform magnetic field with controllable magnitude and direction. Circular and square coils, both with square cross section, are considered. Practical considerations such as wire selection, wire-wrapping efficiency, wire bending radius, choice of power supply, and inductance and time response are included. Using the equations provided, a designer can quickly create an optimal set of custom coils to generate a specified field magnitude in the uniform-field region while maintaining specified accessibility to the central workspace. An example case study is included.

Parametric design of tri-axial nested Helmholtz coils

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

Abbott, Jake J., E-mail: jake.abbott@utah.edu

This paper provides an optimal parametric design for tri-axial nested Helmholtz coils, which are used to generate a uniform magnetic field with controllable magnitude and direction. Circular and square coils, both with square cross section, are considered. Practical considerations such as wire selection, wire-wrapping efficiency, wire bending radius, choice of power supply, and inductance and time response are included. Using the equations provided, a designer can quickly create an optimal set of custom coils to generate a specified field magnitude in the uniform-field region while maintaining specified accessibility to the central workspace. An example case study is included.

Parametrically excited oscillation of stay cable and its control in cable-stayed bridges.

PubMed

Sun, Bing-nan; Wang, Zhi-gang; Ko, J M; Ni, Y Q

2003-01-01

This paper presents a nonlinear dynamic model for simulation and analysis of a kind of parametrically excited vibration of stay cable caused by support motion in cable-stayed bridges. The sag, inclination angle of the stay cable are considered in the model, based on which, the oscillation mechanism and dynamic response characteristics of this kind of vibration are analyzed through numerical calculation. It is noted that parametrically excited oscillation of a stay cable with certain sag, inclination angle and initial static tension force may occur in cable-stayed bridges due to deck vibration under the condition that the natural frequency of a cable approaches to about half of the first model frequency of the bridge deck system. A new vibration control system installed on the cable anchorage is proposed as a possible damping system to suppress the cable parametric oscillation. The numerical calculation results showed that with the use of this damping system, the cable oscillation due to the vibration of the deck and/or towers will be considerably reduced.

Parametric resonance in acoustically levitated water drops

NASA Astrophysics Data System (ADS)

Shen, C. L.; Xie, W. J.; Wei, B.

2010-05-01

Liquid drops can be suspended in air with acoustic levitation method. When the sound pressure is periodically modulated, the levitated drop is usually forced into an axisymmetric oscillation. However, a transition from axisymmetric oscillation into sectorial oscillation occurs when the modulation frequency approaches some specific values. The frequency of the sectorial oscillation is almost exactly half of the modulation frequency. It is demonstrated that this transition is induced by the parametric resonance of levitated drop. The natural frequency of sectorial oscillation is found to decrease with the increase of drop distortion extent.

Parametric spatiotemporal oscillation in reaction-diffusion systems.

PubMed

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Local parametric instability near elliptic points in vortex flows under shear deformation

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

Koshel, Konstantin V., E-mail: kvkoshel@poi.dvo.ru; Institute of Applied Mathematics, FEB RAS, 7, Radio Street, Vladivostok 690022; Far Eastern Federal University, 8, Sukhanova Street, Vladivostok 690950

The dynamics of two point vortices embedded in an oscillatory external flow consisted of shear and rotational components is addressed. The region associated with steady-state elliptic points of the vortex motion is established to experience local parametric instability. The instability forces the point vortices with initial positions corresponding to the steady-state elliptic points to move in spiral-like divergent trajectories. This divergent motion continues until the nonlinear effects suppress their motion near the region associated with the steady-state separatrices. The local parametric instability is then demonstrated not to contribute considerably to enhancing the size of the chaotic motion regions. Instead, themore » size of the chaotic motion region mostly depends on overlaps of the nonlinear resonances emerging in the perturbed system.« less

Parametric spatiotemporal oscillation in reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Realization of the purely spatial Einstein-Podolsky-Rosen paradox in full-field images of spontaneous parametric down-conversion

NASA Astrophysics Data System (ADS)

Moreau, Paul-Antoine; Mougin-Sisini, Joé; Devaux, Fabrice; Lantz, Eric

2012-07-01

We demonstrate Einstein-Podolsky-Rosen (EPR) entanglement by detecting purely spatial quantum correlations in the near and far fields of spontaneous parametric down-conversion generated in a type-2 beta barium borate crystal. Full-field imaging is performed in the photon-counting regime with an electron-multiplying CCD camera. The data are used without any postselection, and we obtain a violation of Heisenberg inequalities with inferred quantities taking into account all the biphoton pairs in both the near and far fields by integration on the entire two-dimensional transverse planes. This ensures a rigorous demonstration of the EPR paradox in its original position-momentum form.

Development of a Split Bitter-type Magnet System for Dusty Plasma Experiments

NASA Astrophysics Data System (ADS)

Bates, Evan; Romero-Talamas, Carlos A.; Birmingham, William J.; Rivera, William F.

2014-10-01

A 10 Tesla Bitter-type magnetic system is under development at the Dusty Plasma Laboratory of the University of Maryland, Baltimore County (UMBC). We present here an optimization technique that uses differential evolution to minimize the omhic heating produced by the coils, while constraining the magnetic field in the experimental volume. The code gives us the optimal dimensions for the coil system including: coil length, turn thickness, disks radii, resistance, and total current required for a constant magnetic field. Finite element parametric optimization is then used to establish the optimal design for water cooling holes. Placement of the cooling holes will also take into consideration the magnetic forces acting on the copper alloy disks to ensure the material strength is not compromised during operation. The proposed power and cooling water delivery subsystems for the coils are also presented. Upon completion and testing of the magnet system, planned experiments include the propagation of magnetized waves in dusty plasma crystals under various boundary conditions, and viscosity in rotational shear flow, among others.

Optomechanical entanglement via non-degenerate parametric interactions

NASA Astrophysics Data System (ADS)

Ahmed, Rizwan; Qamar, Shahid

2017-10-01

We present a scheme for the optomechanical entanglement between a micro-mechanical mirror and the field inside a bimodal cavity system using a non-degenerate optical parametric amplifier (NOPA). Our results show that the introduction of NOPA makes the entanglement stronger or more robust against the mean number of average thermal phonons and cavity decay. Interestingly, macroscopic entanglement depends upon the choice of the phase associated with classical field driving NOPA. We also consider the effects of input laser power on optomechanical entanglement.

Electric-car simulation

NASA Technical Reports Server (NTRS)

Chapman, C. P.; Slusser, R. A.

1980-01-01

PARAMET, interactive simulation program for parametric studies of electric vehicles, guides user through simulation by menu and series of prompts for input parameters. Program considers aerodynamic drag, rolling resistance, linear and rotational acceleration, and road gradient as forces acting on vehicle.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

NASA Astrophysics Data System (ADS)

Lin, Zhixiong; Bachmann, Stephan J.; van Gunsteren, Wilfred F.

2015-03-01

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 models may be used in biomolecular simulations of protein denaturation.

FESetup: Automating Setup for Alchemical Free Energy Simulations.

PubMed

Loeffler, Hannes H; Michel, Julien; Woods, Christopher

2015-12-28

FESetup is a new pipeline tool which can be used flexibly within larger workflows. The tool aims to support fast and easy setup of alchemical free energy simulations for molecular simulation packages such as AMBER, GROMACS, Sire, or NAMD. Post-processing methods like MM-PBSA and LIE can be set up as well. Ligands are automatically parametrized with AM1-BCC, and atom mappings for a single topology description are computed with a maximum common substructure search (MCSS) algorithm. An abstract molecular dynamics (MD) engine can be used for equilibration prior to free energy setup or standalone. Currently, all modern AMBER force fields are supported. Ease of use, robustness of the code, and automation where it is feasible are the main development goals. The project follows an open development model, and we welcome contributions.

The effects of intermittency on statistical characteristics of turbulence and scale similarity of breakdown coefficients

NASA Astrophysics Data System (ADS)

Novikov, E. A.

1990-05-01

The influence of intermittency on turbulent diffusion is expressed in terms of the statistics of the dissipation field. The high-order moments of relative diffusion are obtained by using the concept of scale similarity of the breakdown coefficients (bdc). The method of bdc is useful for obtaining new models and general results, which then can be expressed in terms of multifractals. In particular, the concavity and other properties of spectral codimension are proved. Special attention is paid to the logarithmically periodic modulations. The parametrization of small-scale intermittent turbulence, which can be used for large-eddy simulation, is presented. The effect of molecular viscosity is taken into account in the spirit of the renorm group, but without spectral series, ɛ expansion, and fictitious random forces.

Variations of characteristic time scales in rotating stratified turbulence using a large parametric numerical study.

PubMed

Rosenberg, D; Marino, R; Herbert, C; Pouquet, A

2016-01-01

We study rotating stratified turbulence (RST) making use of numerical data stemming from a large parametric study varying the Reynolds, Froude and Rossby numbers, Re, Fr and Ro in a broad range of values. The computations are performed using periodic boundary conditions on grids of 1024(3) points, with no modeling of the small scales, no forcing and with large-scale random initial conditions for the velocity field only, and there are altogether 65 runs analyzed in this paper. The buoyancy Reynolds number defined as R(B) = ReFr2 varies from negligible values to ≈ 10(5), approaching atmospheric or oceanic regimes. This preliminary analysis deals with the variation of characteristic time scales of RST with dimensionless parameters, focusing on the role played by the partition of energy between the kinetic and potential modes, as a key ingredient for modeling the dynamics of such flows. We find that neither rotation nor the ratio of the Brunt-Väisälä frequency to the inertial frequency seem to play a major role in the absence of forcing in the global dynamics of the small-scale kinetic and potential modes. Specifically, in these computations, mostly in regimes of wave turbulence, characteristic times based on the ratio of energy to dissipation of the velocity and temperature fluctuations, T(V) and T(P), vary substantially with parameters. Their ratio γ=T(V)/T(P) follows roughly a bell-shaped curve in terms of Richardson number Ri. It reaches a plateau - on which time scales become comparable, γ≈0.6 - when the turbulence has significantly strengthened, leading to numerous destabilization events together with a tendency towards an isotropization of the flow.

Accurate segmentation framework for the left ventricle wall from cardiac cine MRI

NASA Astrophysics Data System (ADS)

Sliman, H.; Khalifa, F.; Elnakib, A.; Soliman, A.; Beache, G. M.; Gimel'farb, G.; Emam, A.; Elmaghraby, A.; El-Baz, A.

2013-10-01

We propose a novel, fast, robust, bi-directional coupled parametric deformable model to segment the left ventricle (LV) wall borders using first- and second-order visual appearance features. These features are embedded in a new stochastic external force that preserves the topology of LV wall to track the evolution of the parametric deformable models control points. To accurately estimate the marginal density of each deformable model control point, the empirical marginal grey level distributions (first-order appearance) inside and outside the boundary of the deformable model are modeled with adaptive linear combinations of discrete Gaussians (LCDG). The second order visual appearance of the LV wall is accurately modeled with a new rotationally invariant second-order Markov-Gibbs random field (MGRF). We tested the proposed segmentation approach on 15 data sets in 6 infarction patients using the Dice similarity coefficient (DSC) and the average distance (AD) between the ground truth and automated segmentation contours. Our approach achieves a mean DSC value of 0.926±0.022 and AD value of 2.16±0.60 compared to two other level set methods that achieve 0.904±0.033 and 0.885±0.02 for DSC; and 2.86±1.35 and 5.72±4.70 for AD, respectively.

Characterizing the constitutive response and energy absorption of rigid polymeric foams subjected to intermediate-velocity impact

DOE PAGES

Koohbor, Behrad; Kidane, Addis; Lu, Wei-Yang

2016-06-27

As an optimum energy-absorbing material system, polymeric foams are needed to dissipate the kinetic energy of an impact, while maintaining the impact force transferred to the protected object at a low level. As a result, it is crucial to accurately characterize the load bearing and energy dissipation performance of foams at high strain rate loading conditions. There are certain challenges faced in the accurate measurement of the deformation response of foams due to their low mechanical impedance. In the present work, a non-parametric method is successfully implemented to enable the accurate assessment of the compressive constitutive response of rigid polymericmore » foams subjected to impact loading conditions. The method is based on stereovision high speed photography in conjunction with 3D digital image correlation, and allows for accurate evaluation of inertia stresses developed within the specimen during deformation time. In conclusion, full-field distributions of stress, strain and strain rate are used to extract the local constitutive response of the material at any given location along the specimen axis. In addition, the effective energy absorbed by the material is calculated. Finally, results obtained from the proposed non-parametric analysis are compared with data obtained from conventional test procedures.« less

Temporal shaping of quantum states released from a superconducting cavity memory

NASA Astrophysics Data System (ADS)

Burkhart, L.; Axline, C.; Pfaff, W.; Zou, C.; Zhang, M.; Narla, A.; Frunzio, L.; Devoret, M. H.; Jiang, L.; Schoelkopf, R. J.

State transfer and entanglement distribution are essential primitives in network-based quantum information processing. We have previously demonstrated an interface between a quantum memory and propagating light fields in the microwave domain: by parametric conversion in a single Josephson junction, we have coherently released quantum states from a superconducting cavity resonator into a transmission line. Protocols for state transfer mediated by propagating fields typically rely on temporal mode-matching of couplings at both sender and receiver. However, parametric driving on a single junction results in dynamic frequency shifts, raising the question of whether the pumps alone provide enough control for achieving this mode-matching. We show, in theory and experiment, that phase and amplitude shaping of the parametric drives allows arbitrary control over the propagating field, limited only by the drives bandwidth and amplitude constraints. This temporal mode shaping technique allows for release and capture of quantum states, providing a credible route towards state transfer and entanglement generation in quantum networks in which quantum states are stored and processed in cavities.

Dynamic balancing of super-critical rotating structures using slow-speed data via parametric excitation

NASA Astrophysics Data System (ADS)

Tresser, Shachar; Dolev, Amit; Bucher, Izhak

2018-02-01

High-speed machinery is often designed to pass several "critical speeds", where vibration levels can be very high. To reduce vibrations, rotors usually undergo a mass balancing process, where the machine is rotated at its full speed range, during which the dynamic response near critical speeds can be measured. High sensitivity, which is required for a successful balancing process, is achieved near the critical speeds, where a single deflection mode shape becomes dominant, and is excited by the projection of the imbalance on it. The requirement to rotate the machine at high speeds is an obstacle in many cases, where it is impossible to perform measurements at high speeds, due to harsh conditions such as high temperatures and inaccessibility (e.g., jet engines). This paper proposes a novel balancing method of flexible rotors, which does not require the machine to be rotated at high speeds. With this method, the rotor is spun at low speeds, while subjecting it to a set of externally controlled forces. The external forces comprise a set of tuned, response dependent, parametric excitations, and nonlinear stiffness terms. The parametric excitation can isolate any desired mode, while keeping the response directly linked to the imbalance. A software controlled nonlinear stiffness term limits the response, hence preventing the rotor to become unstable. These forces warrant sufficient sensitivity required to detect the projection of the imbalance on any desired mode without rotating the machine at high speeds. Analytical, numerical and experimental results are shown to validate and demonstrate the method.

Characteristics of Lithium Ions and Superoxide Anions in EMI-TFSI and Dimethyl Sulfoxide.

PubMed

Jung, Sun-ho; Federici Canova, Filippo; Akagi, Kazuto

2016-01-28

To clarify the microscopic effects of solvents on the formation of the Li(+)-O2(–) process of a Li–O2 battery, we studied the kinetics and thermodynamics of these ions in dimethyl sulfoxide (DMSO) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMI-TFSI) using classical molecular dynamics simulation. The force field for ions–solvents interactions was parametrized by force matching first-principles calculations. Despite the solvation energies of the ions are similar in both solvents, their mobility is much higher in DMSO. The free-energy profiles also confirm that the formation and decomposition rates of Li(+)-O2(–) pairs are greater in DMSO than in EMI-TFSI. Our atomistic simulations point out that the strong structuring of EMI-TFSI around the ions is responsible for these differences, and it explains why the LiO2 clusters formed in DMSO during the battery discharge are larger than those in EMI-TFSI. Understanding the origin of such properties is crucial to aid the optimization of electrolytes for Li–O2 batteries.

PaLaCe: A Coarse-Grain Protein Model for Studying Mechanical Properties.

PubMed

Pasi, Marco; Lavery, Richard; Ceres, Nicoletta

2013-01-08

We present a coarse-grain protein model PaLaCe (Pasi-Lavery-Ceres) that has been developed principally to allow fast computational studies of protein mechanics and to clarify the links between mechanics and function. PaLaCe uses a two-tier protein representation with one to three pseudoatoms representing each amino acid for the main nonbonded interactions, combined with atomic-scale peptide groups and some side chain atoms to allow the explicit representation of backbone hydrogen bonds and to simplify the treatment of bonded interactions. The PaLaCe force field is composed of physics-based terms, parametrized using Boltzmann inversion of conformational probability distributions derived from a protein structure data set, and iteratively refined to reproduce the experimental distributions. PaLaCe has been implemented in the MMTK simulation package and can be used for energy minimization, normal mode calculations, and molecular or stochastic dynamics. We present simulations with PaLaCe that test its ability to maintain stable structures for folded proteins, reproduce their dynamic fluctuations, and correctly model large-scale, force-induced conformational changes.

Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations. Part I: Surface fluxes

NASA Astrophysics Data System (ADS)

Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.

1999-04-01

A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is highly non-local and enhanced in the coupled simulation.

White-light parametric instabilities in plasmas.

PubMed

Santos, J E; Silva, L O; Bingham, R

2007-06-08

Parametric instabilities driven by partially coherent radiation in plasmas are described by a generalized statistical Wigner-Moyal set of equations, formally equivalent to the full wave equation, coupled to the plasma fluid equations. A generalized dispersion relation for stimulated Raman scattering driven by a partially coherent pump field is derived, revealing a growth rate dependence, with the coherence width sigma of the radiation field, scaling with 1/sigma for backscattering (three-wave process), and with 1/sigma1/2 for direct forward scattering (four-wave process). Our results demonstrate the possibility to control the growth rates of these instabilities by properly using broadband pump radiation fields.

Continuous-wave optical parametric oscillators on their way to the terahertz range

NASA Astrophysics Data System (ADS)

Sowade, Rosita; Breunig, Ingo; Kiessling, Jens; Buse, Karsten

2010-02-01

Continuous-wave optical parametric oscillators (OPOs) are known to be working horses for spectroscopy in the near- and mid-infrared. However, strong absorption in nonlinear media like lithium niobate complicates the generation of far-infrared light. This absorption leads to pump thresholds vastly exceeding the power of standard pump lasers. Our first approach was, therefore, to combine the established technique of photomixing with optical parametric oscillators. Here, two OPOs provide one wave each, with a tunable difference frequency. These waves are combined to a beat signal as a source for photomixers. Terahertz radiation between 0.065 and 1.018 THz is generated with powers in the order of nanowatts. To overcome the upper frequency limit of the opto-electronic photomixers, terahertz generation has to rely entirely on optical methods. Our all-optical approach, getting around the high thresholds for terahertz generation, is based on cascaded nonlinear processes: the resonantly enhanced signal field, generated in the primary parametric process, is intense enough to act as the pump for a secondary process, creating idler waves with frequencies in the terahertz regime. The latter ones are monochromatic and tunable with detected powers of more than 2 μW at 1.35 THz. Thus, continuous-wave optical parametric oscillators have entered the field of terahertz photonics.

Localization of one-photon state in space and Einstein-Podolsky-Rosen paradox in spontaneous parametric down conversion

NASA Technical Reports Server (NTRS)

Penin, A. N.; Reutova, T. A.; Sergienko, A. V.

1992-01-01

An experiment on one-photon state localization in space using a correlation technique in Spontaneous Parametric Down Conversion (SPDC) process is discussed. Results of measurements demonstrate an idea of the Einstein-Podolsky-Rosen (EPR) paradox for coordinate and momentum variables of photon states. Results of the experiment can be explained with the help of an advanced wave technique. The experiment is based on the idea that two-photon states of optical electromagnetic fields arising in the nonlinear process of the spontaneous parametric down conversion (spontaneous parametric light scattering) can be explained by quantum mechanical theory with the help of a single wave function.

Localization of one-photon state in space and Einstein-Podolsky-Rosen paradox in spontaneous parametric down conversion

NASA Astrophysics Data System (ADS)

Penin, A. N.; Reutova, T. A.; Sergienko, A. V.

1992-02-01

An experiment on one-photon state localization in space using a correlation technique in Spontaneous Parametric Down Conversion (SPDC) process is discussed. Results of measurements demonstrate an idea of the Einstein-Podolsky-Rosen (EPR) paradox for coordinate and momentum variables of photon states. Results of the experiment can be explained with the help of an advanced wave technique. The experiment is based on the idea that two-photon states of optical electromagnetic fields arising in the nonlinear process of the spontaneous parametric down conversion (spontaneous parametric light scattering) can be explained by quantum mechanical theory with the help of a single wave function.

BaHigh-force magnetic tweezers with force feedback for biological applications

NASA Astrophysics Data System (ADS)

Kollmannsberger, Philip; Fabry, Ben

2007-11-01

Magnetic micromanipulation using magnetic tweezers is a versatile biophysical technique and has been used for single-molecule unfolding, rheology measurements, and studies of force-regulated processes in living cells. This article describes an inexpensive magnetic tweezer setup for the application of precisely controlled forces up to 100nN onto 5μm magnetic beads. High precision of the force is achieved by a parametric force calibration method together with a real-time control of the magnetic tweezer position and current. High forces are achieved by bead-magnet distances of only a few micrometers. Applying such high forces can be used to characterize the local viscoelasticity of soft materials in the nonlinear regime, or to study force-regulated processes and mechanochemical signal transduction in living cells. The setup can be easily adapted to any inverted microscope.

High-force magnetic tweezers with force feedback for biological applications.

PubMed

Kollmannsberger, Philip; Fabry, Ben

2007-11-01

Magnetic micromanipulation using magnetic tweezers is a versatile biophysical technique and has been used for single-molecule unfolding, rheology measurements, and studies of force-regulated processes in living cells. This article describes an inexpensive magnetic tweezer setup for the application of precisely controlled forces up to 100 nN onto 5 microm magnetic beads. High precision of the force is achieved by a parametric force calibration method together with a real-time control of the magnetic tweezer position and current. High forces are achieved by bead-magnet distances of only a few micrometers. Applying such high forces can be used to characterize the local viscoelasticity of soft materials in the nonlinear regime, or to study force-regulated processes and mechanochemical signal transduction in living cells. The setup can be easily adapted to any inverted microscope.

Systematic parameter inference in stochastic mesoscopic modeling

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

Lei, Huan; Yang, Xiu; Li, Zhen

2017-02-01

We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the priormore » knowledge that the coefficients are “sparse”. The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.« less

Prediction of Stereochemistry using Q2MM

PubMed Central

2016-01-01

Conspectus The standard method of screening ligands for selectivity in asymmetric, transition metal-catalyzed reactions requires experimental testing of hundreds of ligands from ligand libraries. This “trial and error” process is costly in terms of time as well as resources and, in general, is scientifically and intellectually unsatisfying as it reveals little about the underlying mechanism behind the selectivity. The accurate computational prediction of stereoselectivity in enantioselective catalysis requires adequate conformational sampling of the selectivity-determining transition state but has to be fast enough to compete with experimental screening techniques to be useful for the synthetic chemist. Although electronic structure calculations are accurate and general, they are too slow to allow for sampling or fast screening of ligand libraries. The combined requirements can be fulfilled by using appropriately fitted transition state force fields (TSFFs) that represent the transition state as a minimum and allow fast conformational sampling using Monte Carlo. Quantum-guided molecular mechanics (Q2MM) is an automated force field parametrization method that generates accurate, reaction-specific TSFFs by fitting the functional form of an arbitrary force field using only electronic structure calculations by minimization of an objective function. A key feature that distinguishes the Q2MM method from many other automated parametrization procedures is the use of the Hessian matrix in addition to geometric parameters and relative energies. This alleviates the known problems of overfitting of TSFFs. After validation of the TSFF by comparison to electronic structure results for a test set and available experimental data, the stereoselectivity of a reaction can be calculated by summation over the Boltzman-averaged relative energies of the conformations leading to the different stereoisomers. The Q2MM method has been applied successfully to perform virtual ligand screens on a range of transition metal-catalyzed reactions that are important from both an industrial and an academic perspective. In this Account, we provide an overview of the continued improvement of the prediction of stereochemistry using Q2MM-derived TSFFs using four examples from different stages of development: (i) Pd-catalyzed allylation, (ii) OsO4-catalyzed asymmetric dihydroxylation (AD) of alkenes, (iii) Rh-catalyzed hydrogenation of enamides, and (iv) Ru-catalyzed hydrogenation of ketones. In the current form, correlation coefficients of 0.8–0.9 between calculated and experimental ee values are typical for a wide range of substrate–ligand combinations, and suitable ligands can be predicted for a given substrate with ∼80% accuracy. Although the generation of a TSFF requires an initial effort and will therefore be most useful for widely used reactions that require frequent screening campaigns, the method allows for a rapid virtual screen of large ligand libraries to focus experimental efforts on the most promising substrate–ligand combinations. PMID:27064579

Density Fluctuations in the Solar Wind Driven by Alfvén Wave Parametric Decay

NASA Astrophysics Data System (ADS)

Bowen, Trevor A.; Badman, Samuel; Hellinger, Petr; Bale, Stuart D.

2018-02-01

Measurements and simulations of inertial compressive turbulence in the solar wind are characterized by anti-correlated magnetic fluctuations parallel to the mean field and density structures. This signature has been interpreted as observational evidence for non-propagating pressure balanced structures, kinetic ion-acoustic waves, as well as the MHD slow-mode. Given the high damping rates of parallel propagating compressive fluctuations, their ubiquity in satellite observations is surprising and suggestive of a local driving process. One possible candidate for the generation of compressive fluctuations in the solar wind is the Alfvén wave parametric instability. Here, we test the parametric decay process as a source of compressive waves in the solar wind by comparing the collisionless damping rates of compressive fluctuations with growth rates of the parametric decay instability daughter waves. Our results suggest that generation of compressive waves through parametric decay is overdamped at 1 au, but that the presence of slow-mode-like density fluctuations is correlated with the parametric decay of Alfvén waves.

Optical parametric amplification of arbitrarily polarized light in periodically poled LiNbO3.

PubMed

Shao, Guang-hao; Song, Xiao-shi; Xu, Fei; Lu, Yan-qing

2012-08-13

Optical parametric amplification (OPA) of arbitrarily polarized light is proposed in a multi-section periodically poled Lithium Niobate (PPLN). External electric field is applied on selected sections to induce the polarization rotation of involved lights, thus the quasi-phase matched optical parametric processes exhibit polarization insensitivity under suitable voltage. In addition to the amplified signal wave, an idler wave with the same polarization is generated simultaneously. As an example, a ~10 times OPA showing polarization independency is simulated. Applications of this technology are also discussed.

Modeling and test of a kinaesthetic actuator based on MR fluid for haptic applications.

PubMed

Yang, Tae-Heon; Koo, Jeong-Hoi; Kim, Sang-Youn; Kwon, Dong-Soo

2017-03-01

Haptic display units have been widely used for conveying button sensations to users, primarily employing vibrotactile actuators. However, the human feeling for pressing buttons mainly relies on kinaesthetic sensations (rather than vibrotactile sensations), and little studies exist on small-scale kinaesthetic haptic units. Thus, the primary goals of this paper are to design a miniature kinaesthetic actuator based on Magneto-Rheological (MR) fluid that can convey various button-clicking sensations and to experimentally evaluate its haptic performance. The design focuses of the proposed actuator were to produce sufficiently large actuation forces (resistive forces) for human users in a given size constraint and to offer a wide range of actuation forces for conveying vivid haptic sensations to users. To this end, this study first performed a series of parametric studies using mathematical force models for multiple operating modes of MR fluid in conjunction with finite element electromagnetism analysis. After selecting design parameters based on parametric studies, a prototype actuator was constructed, and its performance was evaluated using a dynamic mechanical analyzer. It measured the actuator's resistive force with a varying stroke (pressed depth) up to 1 mm and a varying input current from 0 A to 200 mA. The results show that the proposed actuator creates a wide range of resistive forces from around 2 N (off-state) to over 9.5 N at 200 mA. In order to assess the prototype's performance in the terms of the haptic application prospective, a maximum force rate was calculated to determine just noticeable difference in force changes for the 1 mm stoke of the actuator. The results show that the force rate is sufficient to mimic various levels of button sensations, indicating that the proposed kinaesthetic actuator can offer a wide range of resistive force changes that can be conveyed to human operators.

A parametric study of hard tissue injury prediction using finite elements: consideration of geometric complexity, subfailure material properties, CT-thresholding, and element characteristics.

PubMed

Arregui-Dalmases, Carlos; Del Pozo, Eduardo; Duprey, Sonia; Lopez-Valdes, Francisco J; Lau, Anthony; Subit, Damien; Kent, Richard

2010-06-01

The objectives of this study were to examine the axial response of the clavicle under quasistatic compressions replicating the body boundary conditions and to quantify the sensitivity of finite element-predicted fracture in the clavicle to several parameters. Clavicles were harvested from 14 donors (age range 14-56 years). Quasistatic axial compression tests were performed using a custom rig designed to replicate in situ boundary conditions. Prior to testing, high-resolution computed tomography (CT) scans were taken of each clavicle. From those images, finite element models were constructed. Factors varied parametrically included the density used to threshold cortical bone in the CT scans, the presence of trabecular bone, the mesh density, Young's modulus, the maximum stress, and the element type (shell vs. solid, triangular vs. quadrilateral surface elements). The experiments revealed significant variability in the peak force (2.41 +/- 0.72 kN) and displacement to peak force (4.9 +/- 1.1 mm), with age (p < .05) and with some geometrical traits of the specimens. In the finite element models, the failure force and location were moderately dependent upon the Young's modulus. The fracture force was highly sensitive to the yield stress (80-110 MPa). Neither fracture location nor force was strongly dependent on mesh density as long as the element size was less than 5 x 5 mm(2). Both the fracture location and force were strongly dependent upon the threshold density used to define the thickness of the cortical shell.

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates

NASA Astrophysics Data System (ADS)

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars ( d-allose and d-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.

PubMed

Small, Meagan C; Aytenfisu, Asaminew H; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

Drude Polarizable Force Field for Aliphatic Ketones and Aldehydes, and their Associated Acyclic Carbohydrates

PubMed Central

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-01-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF. PMID:28190218

Self-induced parametric amplification arising from nonlinear elastic coupling in a micromechanical resonating disk gyroscope

PubMed Central

Nitzan, Sarah H.; Zega, Valentina; Li, Mo; Ahn, Chae H.; Corigliano, Alberto; Kenny, Thomas W.; Horsley, David A.

2015-01-01

Parametric amplification, resulting from intentionally varying a parameter in a resonator at twice its resonant frequency, has been successfully employed to increase the sensitivity of many micro- and nano-scale sensors. Here, we introduce the concept of self-induced parametric amplification, which arises naturally from nonlinear elastic coupling between the degenerate vibration modes in a micromechanical disk-resonator, and is not externally applied. The device functions as a gyroscope wherein angular rotation is detected from Coriolis coupling of elastic vibration energy from a driven vibration mode into a second degenerate sensing mode. While nonlinear elasticity in silicon resonators is extremely weak, in this high quality-factor device, ppm-level nonlinear elastic effects result in an order-of-magnitude increase in the observed sensitivity to Coriolis force relative to linear theory. Perfect degeneracy of the primary and secondary vibration modes is achieved through electrostatic frequency tuning, which also enables the phase and frequency of the parametric coupling to be varied, and we show that the resulting phase and frequency dependence of the amplification follow the theory of parametric resonance. We expect that this phenomenon will be useful for both fundamental studies of dynamic systems with low dissipation and for increasing signal-to-noise ratio in practical applications such as gyroscopes. PMID:25762243

Self-induced parametric amplification arising from nonlinear elastic coupling in a micromechanical resonating disk gyroscope.

PubMed

Nitzan, Sarah H; Zega, Valentina; Li, Mo; Ahn, Chae H; Corigliano, Alberto; Kenny, Thomas W; Horsley, David A

2015-03-12

Parametric amplification, resulting from intentionally varying a parameter in a resonator at twice its resonant frequency, has been successfully employed to increase the sensitivity of many micro- and nano-scale sensors. Here, we introduce the concept of self-induced parametric amplification, which arises naturally from nonlinear elastic coupling between the degenerate vibration modes in a micromechanical disk-resonator, and is not externally applied. The device functions as a gyroscope wherein angular rotation is detected from Coriolis coupling of elastic vibration energy from a driven vibration mode into a second degenerate sensing mode. While nonlinear elasticity in silicon resonators is extremely weak, in this high quality-factor device, ppm-level nonlinear elastic effects result in an order-of-magnitude increase in the observed sensitivity to Coriolis force relative to linear theory. Perfect degeneracy of the primary and secondary vibration modes is achieved through electrostatic frequency tuning, which also enables the phase and frequency of the parametric coupling to be varied, and we show that the resulting phase and frequency dependence of the amplification follow the theory of parametric resonance. We expect that this phenomenon will be useful for both fundamental studies of dynamic systems with low dissipation and for increasing signal-to-noise ratio in practical applications such as gyroscopes.

Free-form geometric modeling by integrating parametric and implicit PDEs.

PubMed

Du, Haixia; Qin, Hong

2007-01-01

Parametric PDE techniques, which use partial differential equations (PDEs) defined over a 2D or 3D parametric domain to model graphical objects and processes, can unify geometric attributes and functional constraints of the models. PDEs can also model implicit shapes defined by level sets of scalar intensity fields. In this paper, we present an approach that integrates parametric and implicit trivariate PDEs to define geometric solid models containing both geometric information and intensity distribution subject to flexible boundary conditions. The integrated formulation of second-order or fourth-order elliptic PDEs permits designers to manipulate PDE objects of complex geometry and/or arbitrary topology through direct sculpting and free-form modeling. We developed a PDE-based geometric modeling system for shape design and manipulation of PDE objects. The integration of implicit PDEs with parametric geometry offers more general and arbitrary shape blending and free-form modeling for objects with intensity attributes than pure geometric models.

Fluidic Energy Harvester Optimization in Grid Turbulence

NASA Astrophysics Data System (ADS)

Danesh-Yazdi, Amir; Elvin, Niell; Andreopoulos, Yiannis

2017-11-01

Even though it is omnipresent in nature, there has not been a great deal of research in the literature involving turbulence as an energy source for piezoelectric fluidic harvesters. In the present work, a grid-generated turbulence forcing function model which we derived previously is employed in the single degree-of-freedom electromechanical equations to find the power output and tip displacement of piezoelectric cantilever beams. Additionally, we utilize simplified, deterministic models of the turbulence forcing function to obtain closed-form expressions for the power output. These theoretical models are studied using experiments that involve separately placing a hot-wire anemometer probe and a short PVDF beam in flows where turbulence is generated by means of passive and semi-passive grids. From a parametric study on the deterministic models, we show that the white noise forcing function best mimics the experimental data. Furthermore, our parametric study of the response spectrum of a generic fluidic harvester in grid-generated turbulent flow shows that optimum power output is attained for beams placed closer to the grid with a low natural frequency and damping ratio and a large electromechanical coupling coefficient. NSF Grant No. CBET 1033117.

Gravitational wave production from preheating: parameter dependence

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

Parametric resonance is among the most efficient phenomena generating gravitational waves (GWs) in the early Universe. The dynamics of parametric resonance, and hence of the GWs, depend exclusively on the resonance parameter q . The latter is determined by the properties of each scenario: the initial amplitude and potential curvature of the oscillating field, and its coupling to other species. Previous works have only studied the GW production for fixed value(s) of q . We present an analytical derivation of the GW amplitude dependence on q , valid for any scenario, which we confront against numerical results. By running latticemore » simulations in an expanding grid, we study for a wide range of q values, the production of GWs in post-inflationary preheating scenarios driven by parametric resonance. We present simple fits for the final amplitude and position of the local maxima in the GW spectrum. Our parametrization allows to predict the location and amplitude of the GW background today, for an arbitrary q . The GW signal can be rather large, as h {sup 2Ω}{sub GW}( f {sub p} ) ∼< 10{sup −11}, but it is always peaked at high frequencies f {sub p} ∼> 10{sup 7} Hz. We also discuss the case of spectator-field scenarios, where the oscillatory field can be e.g. a curvaton, or the Standard Model Higgs.« less

Parametrically Optimized Carbon Nanotube-Coated Cold Cathode Spindt Arrays

PubMed Central

Yuan, Xuesong; Cole, Matthew T.; Zhang, Yu; Wu, Jianqiang; Milne, William I.; Yan, Yang

2017-01-01

Here, we investigate, through parametrically optimized macroscale simulations, the field electron emission from arrays of carbon nanotube (CNT)-coated Spindts towards the development of an emerging class of novel vacuum electron devices. The present study builds on empirical data gleaned from our recent experimental findings on the room temperature electron emission from large area CNT electron sources. We determine the field emission current of the present microstructures directly using particle in cell (PIC) software and present a new CNT cold cathode array variant which has been geometrically optimized to provide maximal emission current density, with current densities of up to 11.5 A/cm2 at low operational electric fields of 5.0 V/μm. PMID:28336845

Surface spontaneous parametric down-conversion.

PubMed

Perina, Jan; Luks, Antonín; Haderka, Ondrej; Scalora, Michael

2009-08-07

Surface spontaneous parametric down-conversion is predicted as a consequence of continuity requirements for electric- and magnetic-field amplitudes at a discontinuity of chi;{(2)} nonlinearity. A generalization of the usual two-photon spectral amplitude is suggested to describe this effect. Examples of nonlinear layered structures and periodically poled nonlinear crystals show that surface contributions to spontaneous down-conversion can be important.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

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

Lin, Zhixiong; Bachmann, Stephan J.; Gunsteren, Wilfred F. van, E-mail: wfvgn@igc.phys.chem.ethz.ch

2015-03-07

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 modelsmore » may be used in biomolecular simulations of protein denaturation.« less

Parametric amplification and bidirectional invisibility in PT -symmetric time-Floquet systems

NASA Astrophysics Data System (ADS)

Koutserimpas, Theodoros T.; Alù, Andrea; Fleury, Romain

2018-01-01

Parity-time (PT )-symmetric wave devices, which exploit balanced interactions between material gain and loss, exhibit extraordinary properties, including lasing and flux-conserving scattering processes. In a seemingly different research field, periodically driven systems, also known as time-Floquet systems, have been widely studied as a relevant platform for reconfigurable active wave control and manipulation. In this article, we explore the connection between PT -symmetry and parametric time-Floquet systems. Instead of relying on material gain, we use parametric amplification by considering a time-periodic modulation of the refractive index at a frequency equal to twice the incident signal frequency. We show that the scattering from a simple parametric slab, whose dynamics follows the Mathieu equation, can be described by a PT -symmetric scattering matrix, whose PT -breaking threshold corresponds to the Mathieu instability threshold. By combining different parametric slabs modulated out of phase, we create PT -symmetric time-Floquet systems that feature exceptional scattering properties, such as coherent perfect absorption (CPA)-laser operation and bidirectional invisibility. These bidirectional properties, rare for regular PT -symmetric systems, are related to a compensation of parametric amplification due to multiple scattering between two parametric systems modulated with a phase difference.

Photon-phonon parametric oscillation induced by quadratic coupling in an optomechanical resonator

NASA Astrophysics Data System (ADS)

Zhang, Lin; Ji, Fengzhou; Zhang, Xu; Zhang, Weiping

2017-07-01

A direct photon-phonon parametric effect of quadratic coupling on the mean-field dynamics of an optomechanical resonator in the large-scale-movement regime is found and investigated. Under a weak pumping power, the mechanical resonator damps to a steady state with a nonlinear static response sensitively modified by the quadratic coupling. When the driving power increases beyond the static energy balance, the steady states lose their stabilities via Hopf bifurcations, and the resonator produces stable self-sustained oscillation (limit-circle behavior) of discrete energies with step-like amplitudes due to the parametric effect of quadratic coupling, which can be understood roughly by the power balance between gain and loss on the resonator. A further increase in the pumping power can induce a chaotic dynamic of the resonator via a typical routine of period-doubling bifurcation, but which can be stabilized by the parametric effect through an inversion-bifurcation process back to the limit-circle states. The bifurcation-to-inverse-bifurcation transitions are numerically verified by the maximal Lyapunov exponents of the dynamics, which indicate an efficient way of suppressing the chaotic behavior of the optomechanical resonator by quadratic coupling. Furthermore, the parametric effect of quadratic coupling on the dynamic transitions of an optomechanical resonator can be conveniently detected or traced by the output power spectrum of the cavity field.

Coupled B-snake grids and constrained thin-plate splines for analysis of 2-D tissue deformations from tagged MRI.

PubMed

Amini, A A; Chen, Y; Curwen, R W; Mani, V; Sun, J

1998-06-01

Magnetic resonance imaging (MRI) is unique in its ability to noninvasively and selectively alter tissue magnetization and create tagged patterns within a deforming body such as the heart muscle. The resulting patterns define a time-varying curvilinear coordinate system on the tissue, which we track with coupled B-snake grids. B-spline bases provide local control of shape, compact representation, and parametric continuity. Efficient spline warps are proposed which warp an area in the plane such that two embedded snake grids obtained from two tagged frames are brought into registration, interpolating a dense displacement vector field. The reconstructed vector field adheres to the known displacement information at the intersections, forces corresponding snakes to be warped into one another, and for all other points in the plane, where no information is available, a C1 continuous vector field is interpolated. The implementation proposed in this paper improves on our previous variational-based implementation and generalizes warp methods to include biologically relevant contiguous open curves, in addition to standard landmark points. The methods are validated with a cardiac motion simulator, in addition to in-vivo tagging data sets.

Bernese advances towards a global analysis of Lunar geodesy

NASA Astrophysics Data System (ADS)

Bertone, S.; Girardin, V.; Bourgoin, A.; Arnold, D.; Jaeggi, A.

2017-12-01

In this presentation we discuss our latest GRAIL-based lunar gravity fields generated with the Celestial Mechanics Approach using the planetary extension of the Bernese GNSS Software (BSW) developed at the Astronomical Institute of the University of Bern (AIUB).Based on one-way X band and two-way S-band Doppler data, we perform orbit determination by solving six initial orbital elements, dynamical parameters, and stochastic parameters in daily arcs using a least-squares adjustment. Significative improvements to our solutions come from the recent implementation of an accurate modeling of non-gravitational forces, including accelerations due to solar and planetary (albedo and IR) radiation pressure, based on the 28-plate macromodel to represent the GRAIL satellites. Also, as suggested in previous works, we deal with imperfections in the modeling of solar eclipses by both an accurate data screening at mid-latitudes and by taking into account solar panel voltage data in our processing. Empirical and pseudo-stochastic parameters are estimated on top of our dynamical modeling to absorb its deficiencies. We analyze the impact of different parametrizations using either pulses (i.e., instantaneous velocity changes) and piecewise constant accelerations (PCA) on our orbits.Based on these improved orbits, one- and two-way Doppler and KBRR data are then used together with an appropriate weighting for a combined orbit and gravity field determination process.We present our latest solutions of the lunar gravity field, based on the recent GRAIL GRGM900C gravity field (as validation of our modeling and parametrization) and on iterations from the SELENE SGM150J gravity field (to check the independence of our solution). We detail our procedure to gradually enlarge the parameter space while adding new data to our gravity field solution. In addition, we present our latest solution for the Moon tidal Love number k_2.Moreover, some important lunar geophysical parameters are best obtained by processing data from Lunar Laser Ranging (LLR) stations. We analyze the impact of a combined processing on the recovery of a set of parameters and we provide some preliminary results.Finally, we compare all of our results with the most recent solutions of the lunar gravity field and of other geodetic parameters released by other groups.

Parametric Characterization of TES Detectors Under DC Bias

NASA Technical Reports Server (NTRS)

Chiao, Meng P.; Smith, Stephen James; Kilbourne, Caroline A.; Adams, Joseph S.; Bandler, Simon R.; Betancourt-Martinez, Gabriele L.; Chervenak, James A.; Datesman, Aaron M.; Eckart, Megan E.; Ewin, Audrey J.;

Internal aerodynamics of a generic three-dimensional scramjet inlet at Mach 10

NASA Technical Reports Server (NTRS)

Holland, Scott D.

1995-01-01

A combined computational and experimental parametric study of the internal aerodynamics of a generic three-dimensional sidewall compression scramjet inlet configuration at Mach 10 has been performed. The study was designed to demonstrate the utility of computational fluid dynamics as a design tool in hypersonic inlet flow fields, to provide a detailed account of the nature and structure of the internal flow interactions, and to provide a comprehensive surface property and flow field database to determine the effects of contraction ratio, cowl position, and Reynolds number on the performance of a hypersonic scramjet inlet configuration. The work proceeded in several phases: the initial inviscid assessment of the internal shock structure, the preliminary computational parametric study, the coupling of the optimized configuration with the physical limitations of the facility, the wind tunnel blockage assessment, and the computational and experimental parametric study of the final configuration. Good agreement between computation and experimentation was observed in the magnitude and location of the interactions, particularly for weakly interacting flow fields. Large-scale forward separations resulted when the interaction strength was increased by increasing the contraction ratio or decreasing the Reynolds number.

Casimir effect and graphene: Tunability, scalability, Casimir rotor

NASA Astrophysics Data System (ADS)

Martinez, J. C.; Chen, X.; Jalil, M. B. A.

2018-01-01

We study the combined effects of separated parallel disks, birefringence and surface currents on the Casimir force and torque. All three contribute to the Casimir force and surface currents from graphene permit tuning and switching from attraction to repulsion thus allowing for an oscillating Casimir force which can be relevant to parametric amplification applications. Only the latter two contribute to the Casimir torque and their combined effect can enhance the torque by at least tenfold (possibly more) compared to that due to birefringence alone, a hint at a scalable Casimir torque. We also consider a feasible non-contact rotor.

Performance characteristics of a thermal energy storage module - A transient PCM/forced convection conjugate analysis

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1991-01-01

The performance of a thermal energy storage module is simulated numerically. The change of phase of the phase-change material (PCM) and the transient forced convective heat transfer for the transfer fluid with low Prandtl numbers are solved simultaneously as a conjugate problem. A parametric study and a system optimization are conducted. The numerical results show that module geometry is crucial to the design of a space-based thermal energy storage system.

Parametric Investigation of the Effect of Hub Pitching Moment on Blade Vortex Interaction (BVI) Noise of an Isolated Rotor

NASA Technical Reports Server (NTRS)

Malpica, Carlos; Greenwood, Eric; Sim, Ben

2016-01-01

At the most fundamental level, main rotor loading noise is caused by the harmonically-varying aerodynamic loads (acoustic pressures) exerted by the rotating blades on the air. Rotorcraft main rotor noise is therefore, in principle, a function of rotor control inputs, and thus the forces and moments required to achieve steady, or "trim", flight equilibrium. In certain flight conditions, the ensuing aerodynamic loading on the rotor(s) can result in highly obtrusive harmonic noise. The effect of the propulsive force, or X-force, on Blade-Vortex Interaction (BVI) noise is well documented. This paper presents an acoustics parametric sensitivity analysis of the effect of varying rotor aerodynamic pitch hub trim moments on BVI noise radiated by an S-70 helicopter main rotor. Results show that changing the hub pitching moment for an isolated rotor, trimmed in nominal 80 knot, 6 and 12 deg descent, flight conditions, alters the miss distance between the blades and the vortex in ways that have varied and noticeable effects on the BVI radiated-noise directionality. Peak BVI noise level is however not significantly altered. The application of hub pitching moment allows the attitude of the fuselage to be controlled; for example, to compensate for the uncomfortable change in fuselage pitch attitude introduced by a fuselage-mounted X-force controller.

Conservative second-order gravitational self-force on circular orbits and the effective one-body formalism

NASA Astrophysics Data System (ADS)

Bini, Donato; Damour, Thibault

2016-05-01

We consider Detweiler's redshift variable z for a nonspinning mass m1 in circular motion (with orbital frequency Ω ) around a nonspinning mass m2. We show how the combination of effective-one-body (EOB) theory with the first law of binary dynamics allows one to derive a simple, exact expression for the functional dependence of z on the (gauge-invariant) EOB gravitational potential u =(m1+m2)/R . We then use the recently obtained high-post-Newtonian(PN)-order knowledge of the main EOB radial potential A (u ;ν ) [where ν =m1m2/(m1+m2)2] to decompose the second-self-force-order contribution to the function z (m2Ω ,m1/m2) into a known part (which goes beyond the 4PN level in including the 5PN logarithmic term and the 5.5PN contribution) and an unknown one [depending on the yet unknown, 5PN, 6 PN ,… , contributions to the O (ν2) contribution to the EOB radial potential A (u ;ν )]. We apply our results to the second-self-force-order contribution to the frequency shift of the last stable orbit. We indicate the expected singular behaviors, near the lightring, of the second-self-force-order contributions to both the redshift and the EOB A potential. Our results should help both in extracting information of direct dynamical significance from ongoing second-self-force-order computations and in parametrizing their global strong-field behaviors. We also advocate computing second-self-force-order conservative quantities by iterating the time-symmetric Green-function in the background spacetime.

Algorithms and Parametric Studies for Assessing Effects of Two-Point Contact

DOT National Transportation Integrated Search

1984-02-01

This report describes analyses conducted to assess the effects of two-point wheel rail contact on a single wheel on the prediction of wheel-rail forces, and for including these effects in a computer program for predicting curving behavior of rail veh...

Impacts of Advanced Manufacturing Technology on Parametric Estimating

DTIC Science & Technology

1989-12-01

been build ( Blois , p. 65). As firms move up the levels of automation, there is a large capital investment to acquire robots, computer numerically...Affordable Acquisition Approach Study, Executive Summary, Air Force Systems Command, Andrews AFB, Maryland, February 9, 1983. Blois , K.J., "Manufacturing

Laser-Bioplasma Interaction: The Blood Type Transmutation Induced by Multiple Ultrashort Wavelength Laser Beams

NASA Astrophysics Data System (ADS)

Stefan, V. Alexander

2015-11-01

The interaction of ultrashort wavelength multi laser beams with the flowing blood thin films leads to the transmutation of the blood types A, B, and AB into O type. This is a novel mechanism of importance for the transfusion medicine. Laser radiation is in resonance with the eigen-frequency modes of the antigen proteins and forces the proteins to parametrically oscillate until they get kicked out from the surface. The stripping away of antigens is done by the scanning-multiple-lasers of a high repetition rate in the blue-purple frequency domain. The guiding-lasers are in the red-green frequency domain. The laser force, (parametric interaction with the antigen eigen-oscillation), upon the antigen protein molecule must exceed its weight. The scanning laser beam is partially reflected as long as the antigen(s) is not eliminated. The process of the protein detachment can last a few minutes. Supported by Nikola Tesla Labs., Stefan University.

Radial forcing and Edgar Allan Poe's lengthening pendulum

NASA Astrophysics Data System (ADS)

McMillan, Matthew; Blasing, David; Whitney, Heather M.

2013-09-01

Inspired by Edgar Allan Poe's The Pit and the Pendulum, we investigate a radially driven, lengthening pendulum. We first show that increasing the length of an undriven pendulum at a uniform rate does not amplify the oscillations in a manner consistent with the behavior of the scythe in Poe's story. We discuss parametric amplification and the transfer of energy (through the parameter of the pendulum's length) to the oscillating part of the system. In this manner, radial driving can easily and intuitively be understood, and the fundamental concept applied in many other areas. We propose and show by a numerical model that appropriately timed radial forcing can increase the oscillation amplitude in a manner consistent with Poe's story. Our analysis contributes a computational exploration of the complex harmonic motion that can result from radially driving a pendulum and sheds light on a mechanism by which oscillations can be amplified parametrically. These insights should prove especially valuable in the undergraduate physics classroom, where investigations into pendulums and oscillations are commonplace.

Soliton motion in a parametrically ac-driven damped Toda lattice

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

Rasmussen, K.O.; Malomed, B.A.; Bishop, A.R.

We demonstrate that a staggered parametric ac driving term can support stable progressive motion of a soliton in a Toda lattice with friction, while an unstaggered driving force cannot. A physical context of the model is that of a chain of anharmonically coupled particles adsorbed on a solid surface of a finite size. The ac driving force is generated by a standing acoustic wave excited on the surface. Simulations demonstrate that the state left behind the moving soliton, with the particles shifted from their equilibrium positions, gradually relaxes back to the equilibrium state that existed before the passage of themore » soliton. The perturbation theory predicts that the ac-driven soliton exists if the amplitude of the drive exceeds a certain threshold. The analytical prediction for the threshold is in reasonable agreement with that found numerically. Collisions between two counterpropagating solitons is also simulated, demonstrating that the collisions are, effectively, fully elastic. {copyright} {ital 1998} {ital The American Physical Society}« less

Problems in nonlinear acoustics: Scattering of sound by sound, parametric receiving arrays, nonlinear effects in asymmetric sound beams and pulsed finite amplitude sound beams

NASA Astrophysics Data System (ADS)

Hamilton, Mark F.

1989-08-01

Four projects are discussed in this annual summary report, all of which involve basic research in nonlinear acoustics: Scattering of Sound by Sound, a theoretical study of two nonconlinear Gaussian beams which interact to produce sum and difference frequency sound; Parametric Receiving Arrays, a theoretical study of parametric reception in a reverberant environment; Nonlinear Effects in Asymmetric Sound Beams, a numerical study of two dimensional finite amplitude sound fields; and Pulsed Finite Amplitude Sound Beams, a numerical time domain solution of the KZK equation.

Applying Statistical Models and Parametric Distance Measures for Music Similarity Search

NASA Astrophysics Data System (ADS)

Lukashevich, Hanna; Dittmar, Christian; Bastuck, Christoph

Automatic deriving of similarity relations between music pieces is an inherent field of music information retrieval research. Due to the nearly unrestricted amount of musical data, the real-world similarity search algorithms have to be highly efficient and scalable. The possible solution is to represent each music excerpt with a statistical model (ex. Gaussian mixture model) and thus to reduce the computational costs by applying the parametric distance measures between the models. In this paper we discuss the combinations of applying different parametric modelling techniques and distance measures and weigh the benefits of each one against the others.

Stability analysis of a time-periodic 2-dof MEMS structure

NASA Astrophysics Data System (ADS)

Kniffka, Till Jochen; Welte, Johannes; Ecker, Horst

2012-11-01

Microelectromechanical systems (MEMS) are becoming important for all kinds of industrial applications. Among them are filters in communication devices, due to the growing demand for efficient and accurate filtering of signals. In recent developments single degree of freedom (1-dof) oscillators, that are operated at a parametric resonances, are employed for such tasks. Typically vibration damping is low in such MEM systems. While parametric excitation (PE) is used so far to take advantage of a parametric resonance, this contribution suggests to also exploit parametric anti-resonances in order to improve the damping behavior of such systems. Modeling aspects of a 2-dof MEM system and first results of the analysis of the non-linear and the linearized system are the focus of this paper. In principle the investigated system is an oscillating mechanical system with two degrees of freedom x = [x1x2]T that can be described by Mx+Cx+K1x+K3(x2)x+Fes(x,V(t)) = 0. The system is inherently non-linear because of the cubic mechanical stiffness K3 of the structure, but also because of electrostatic forces (1+cos(ωt))Fes(x) that act on the system. Electrostatic forces are generated by comb drives and are proportional to the applied time-periodic voltage V(t). These drives also provide the means to introduce time-periodic coefficients, i.e. parametric excitation (1+cos(ωt)) with frequency ω. For a realistic MEM system the coefficients of the non-linear set of differential equations need to be scaled for efficient numerical treatment. The final mathematical model is a set of four non-linear time-periodic homogeneous differential equations of first order. Numerical results are obtained from two different methods. The linearized time-periodic (LTP) system is studied by calculating the Monodromy matrix of the system. The eigenvalues of this matrix decide on the stability of the LTP-system. To study the unabridged non-linear system, the bifurcation software ManLab is employed. Continuation analysis including stability evaluations are executed and show the frequency ranges for which the 2-dof system becomes unstable due to parametric resonances. Moreover, the existence of frequency intervals are shown where enhanced damping for the system is observed for this MEMS. The results from the stability studies are confirmed by simulation results.

Atomistic simulation of solid-liquid coexistence for molecular systems: application to triazole and benzene.

PubMed

Eike, David M; Maginn, Edward J

2006-04-28

A method recently developed to rigorously determine solid-liquid equilibrium using a free-energy-based analysis has been extended to analyze multiatom molecular systems. This method is based on using a pseudosupercritical transformation path to reversibly transform between solid and liquid phases. Integration along this path yields the free energy difference at a single state point, which can then be used to determine the free energy difference as a function of temperature and therefore locate the coexistence temperature at a fixed pressure. The primary extension reported here is the introduction of an external potential field capable of inducing center of mass order along with secondary orientational order for molecules. The method is used to calculate the melting point of 1-H-1,2,4-triazole and benzene. Despite the fact that the triazole model gives accurate bulk densities for the liquid and crystal phases, it is found to do a poor job of reproducing the experimental crystal structure and heat of fusion. Consequently, it yields a melting point that is 100 K lower than the experimental value. On the other hand, the benzene model has been parametrized extensively to match a wide range of properties and yields a melting point that is only 20 K lower than the experimental value. Previous work in which a simple "direct heating" method was used actually found that the melting point of the benzene model was 50 K higher than the experimental value. This demonstrates the importance of using proper free energy methods to compute phase behavior. It also shows that the melting point is a very sensitive measure of force field quality that should be considered in parametrization efforts. The method described here provides a relatively simple approach for computing melting points of molecular systems.

Parametric Instability Rates in Periodically Driven Band Systems

NASA Astrophysics Data System (ADS)

Lellouch, S.; Bukov, M.; Demler, E.; Goldman, N.

2017-04-01

In this work, we analyze the dynamical properties of periodically driven band models. Focusing on the case of Bose-Einstein condensates, and using a mean-field approach to treat interparticle collisions, we identify the origin of dynamical instabilities arising from the interplay between the external drive and interactions. We present a widely applicable generic numerical method to extract instability rates and link parametric instabilities to uncontrolled energy absorption at short times. Based on the existence of parametric resonances, we then develop an analytical approach within Bogoliubov theory, which quantitatively captures the instability rates of the system and provides an intuitive picture of the relevant physical processes, including an understanding of how transverse modes affect the formation of parametric instabilities. Importantly, our calculations demonstrate an agreement between the instability rates determined from numerical simulations and those predicted by theory. To determine the validity regime of the mean-field analysis, we compare the latter to the weakly coupled conserving approximation. The tools developed and the results obtained in this work are directly relevant to present-day ultracold-atom experiments based on shaken optical lattices and are expected to provide an insightful guidance in the quest for Floquet engineering.

Accurate Simulation of Parametrically Excited Micromirrors via Direct Computation of the Electrostatic Stiffness

PubMed Central

Frangi, Attilio; Guerrieri, Andrea; Boni, Nicoló

2017-01-01

Electrostatically actuated torsional micromirrors are key elements in Micro-Opto-Electro- Mechanical-Systems. When forced by means of in-plane comb-fingers, the dynamics of the main torsional response is known to be strongly non-linear and governed by parametric resonance. Here, in order to also trace unstable branches of the mirror response, we implement a simplified continuation method with arc-length control and propose an innovative technique based on Finite Elements and the concepts of material derivative in order to compute the electrostatic stiffness; i.e., the derivative of the torque with respect to the torsional angle, as required by the continuation approach. PMID:28383483

Accurate Simulation of Parametrically Excited Micromirrors via Direct Computation of the Electrostatic Stiffness.

PubMed

Frangi, Attilio; Guerrieri, Andrea; Boni, Nicoló

2017-04-06

Electrostatically actuated torsional micromirrors are key elements in Micro-Opto-Electro- Mechanical-Systems. When forced by means of in-plane comb-fingers, the dynamics of the main torsional response is known to be strongly non-linear and governed by parametric resonance. Here, in order to also trace unstable branches of the mirror response, we implement a simplified continuation method with arc-length control and propose an innovative technique based on Finite Elements and the concepts of material derivative in order to compute the electrostatic stiffness; i.e., the derivative of the torque with respect to the torsional angle, as required by the continuation approach.

Multi-mode of Four and Six Wave Parametric Amplified Process

NASA Astrophysics Data System (ADS)

Zhu, Dayu; Yang, Yiheng; Zhang, Da; Liu, Ruizhou; Ma, Danmeng; Li, Changbiao; Zhang, Yanpeng

2017-03-01

Multiple quantum modes in correlated fields are essential for future quantum information processing and quantum computing. Here we report the generation of multi-mode phenomenon through parametric amplified four- and six-wave mixing processes in a rubidium atomic ensemble. The multi-mode properties in both frequency and spatial domains are studied. On one hand, the multi-mode behavior is dominantly controlled by the intensity of external dressing effect, or nonlinear phase shift through internal dressing effect, in frequency domain; on the other hand, the multi-mode behavior is visually demonstrated from the images of the biphoton fields directly, in spatial domain. Besides, the correlation of the two output fields is also demonstrated in both domains. Our approach supports efficient applications for scalable quantum correlated imaging.

Multi-mode of Four and Six Wave Parametric Amplified Process.

PubMed

Zhu, Dayu; Yang, Yiheng; Zhang, Da; Liu, Ruizhou; Ma, Danmeng; Li, Changbiao; Zhang, Yanpeng

2017-03-03

Multiple quantum modes in correlated fields are essential for future quantum information processing and quantum computing. Here we report the generation of multi-mode phenomenon through parametric amplified four- and six-wave mixing processes in a rubidium atomic ensemble. The multi-mode properties in both frequency and spatial domains are studied. On one hand, the multi-mode behavior is dominantly controlled by the intensity of external dressing effect, or nonlinear phase shift through internal dressing effect, in frequency domain; on the other hand, the multi-mode behavior is visually demonstrated from the images of the biphoton fields directly, in spatial domain. Besides, the correlation of the two output fields is also demonstrated in both domains. Our approach supports efficient applications for scalable quantum correlated imaging.

High-resolution modeling of a marine ecosystem using the FRESCO hydroecological model

NASA Astrophysics Data System (ADS)

Zalesny, V. B.; Tamsalu, R.

2009-02-01

The FRESCO (Finnish Russian Estonian Cooperation) mathematical model describing a marine hydroecosystem is presented. The methodology of the numerical solution is based on the method of multicomponent splitting into physical and biological processes, spatial coordinates, etc. The model is used for the reproduction of physical and biological processes proceeding in the Baltic Sea. Numerical experiments are performed with different spatial resolutions for four marine basins that are enclosed into one another: the Baltic Sea, the Gulf of Finland, the Tallinn-Helsinki water area, and Tallinn Bay. Physical processes are described by the equations of nonhydrostatic dynamics, including the k-ω parametrization of turbulence. Biological processes are described by the three-dimensional equations of an aquatic ecosystem with the use of a size-dependent parametrization of biochemical reactions. The main goal of this study is to illustrate the efficiency of the developed numerical technique and to demonstrate the importance of a high spatial resolution for water basins that have complex bottom topography, such as the Baltic Sea. Detailed information about the atmospheric forcing, bottom topography, and coastline is very important for the description of coastal dynamics and specific features of a marine ecosystem. Experiments show that the spatial inhomogeneity of hydroecosystem fields is caused by the combined effect of upwelling, turbulent mixing, surface-wave breaking, and temperature variations, which affect biochemical reactions.

Dynamic response of some tentative compliant wall structures to convected turbulence fields

NASA Technical Reports Server (NTRS)

Nijim, H. H.; Lin, Y. K.

1977-01-01

Some tentative compliant wall structures designed for possible skin friction drag reduction are investigated. Among the structural models considered is a ribbed membrane backed by polyurethane or PVS plastisol. This model is simplified as a beam placed on a viscoelastic foundation as well as on a set of evenly spaced supports. The total length of the beam may be either finite or infinite, and the supports may be either rigid or elastic. Another structural model considered is a membrane mounted over a series of pretensioned wires, also evenly spaced, and the entire membrane is backed by an air cavity. The forcing pressure field is idealized as a frozen random pattern convected downstream at a characteristic velocity. The results are given in terms of the frequency response functions of the system, the spectral density of the structural motion, and the spectral density of the boundary layer pressure including the effect of structural motion. These results are used in a parametric study of structural configurations capable of generating favorable wave lengths, wave amplitudes, and wave speeds in the structural motion for potential drag reduction.

Parametric resonance in quantum electrodynamics vacuum birefringence

NASA Astrophysics Data System (ADS)

Arza, Ariel; Elias, Ricardo Gabriel

2018-05-01

Vacuum magnetic birefringence is one of the most interesting nonlinear phenomena in quantum electrodynamics because it is a pure photon-photon result of the theory and it directly signalizes the violation of the classical superposition principle of electromagnetic fields in the full quantum theory. We perform analytical and numerical calculations when an electromagnetic wave interacts with an oscillating external magnetic field. We find that in an ideal cavity, when the external field frequency is around the electromagnetic wave frequency, the normal and parallel components of the wave suffer parametric resonance at different rates, producing a vacuum birefringence effect growing in time. We also study the case where there is no cavity and the oscillating magnetic field is spatially localized in a region of length L . In both cases we find also a rotation of the elliptical axis.

Simultaneous parametric generation and up-conversion of entangled optical images

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

Saygin, M. Yu., E-mail: mihasyu@gmail.com; Chirkin, A. S., E-mail: aschirkin@rambler.r

A quantum theory of parametric amplification and frequency conversion of an optical image in coupled nonlinear optical processes that include one parametric amplification process at high-frequency pumping and two up-conversion processes in the same pump field is developed. The field momentum operator that takes into account the diffraction and group velocities of the waves is used to derive the quantum equations related to the spatial dynamics of the images during the interaction. An optical scheme for the amplification and conversion of a close image is considered. The mean photon number density and signal-to-noise ratio are calculated in the fixed-pump-field approximationmore » for images at various frequencies. It has been established that the signal-to-noise ratio decreases with increasing interaction length in the amplified image and increases in the images at the generated frequencies, tending to asymptotic values for all interacting waves. The variance of the difference of the numbers of photons is calculated for various pairs of frequencies. The quantum entanglement of the optical images formed in a high-frequency pump field is shown to be converted to higher frequencies during the generation of sum frequencies. Thus, two pairs of entangled optical images are produced in the process considered.« less

Nonlinearity Role in Long-Term Interaction of the Ocean Gravity Waves

DTIC Science & Technology

2012-09-30

3 4 =s We found that in the fetch-limited case the wind forcing index s is similar to the time domain situation, and the wind forcing is given by...of its evolution. Fig.5 gives a graphical summary of four reference cases of self-similar evolution of wind-driven waves. These cases are shown as...different R, tangents of one-parametric dependencies H~TR height-to-period in logarithmic axes. Reference cases of growing wind sea are shown as

A GLOBAL GALACTIC DYNAMO WITH A CORONA CONSTRAINED BY RELATIVE HELICITY

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

Prasad, A.; Mangalam, A., E-mail: avijeet@iiap.res.in, E-mail: mangalam@iiap.res.in

We present a model for a global axisymmetric turbulent dynamo operating in a galaxy with a corona that treats the parameters of turbulence driven by supernovae and by magneto-rotational instability under a common formalism. The nonlinear quenching of the dynamo is alleviated by the inclusion of small-scale advective and diffusive magnetic helicity fluxes, which allow the gauge-invariant magnetic helicity to be transferred outside the disk and consequently to build up a corona during the course of dynamo action. The time-dependent dynamo equations are expressed in a separable form and solved through an eigenvector expansion constructed using the steady-state solutions ofmore » the dynamo equation. The parametric evolution of the dynamo solution allows us to estimate the final structure of the global magnetic field and the saturated value of the turbulence parameter α{sub m}, even before solving the dynamical equations for evolution of magnetic fields in the disk and the corona, along with α-quenching. We then solve these equations simultaneously to study the saturation of the large-scale magnetic field, its dependence on the small-scale magnetic helicity fluxes, and the corresponding evolution of the force-free field in the corona. The quadrupolar large-scale magnetic field in the disk is found to reach equipartition strength within a timescale of 1 Gyr. The large-scale magnetic field in the corona obtained is much weaker than the field inside the disk and has only a weak impact on the dynamo operation.« less

A non-parametric automatic blending methodology to estimate rainfall fields from rain gauge and radar data

NASA Astrophysics Data System (ADS)

Velasco-Forero, Carlos A.; Sempere-Torres, Daniel; Cassiraga, Eduardo F.; Jaime Gómez-Hernández, J.

2009-07-01

Quantitative estimation of rainfall fields has been a crucial objective from early studies of the hydrological applications of weather radar. Previous studies have suggested that flow estimations are improved when radar and rain gauge data are combined to estimate input rainfall fields. This paper reports new research carried out in this field. Classical approaches for the selection and fitting of a theoretical correlogram (or semivariogram) model (needed to apply geostatistical estimators) are avoided in this study. Instead, a non-parametric technique based on FFT is used to obtain two-dimensional positive-definite correlograms directly from radar observations, dealing with both the natural anisotropy and the temporal variation of the spatial structure of the rainfall in the estimated fields. Because these correlation maps can be automatically obtained at each time step of a given rainfall event, this technique might easily be used in operational (real-time) applications. This paper describes the development of the non-parametric estimator exploiting the advantages of FFT for the automatic computation of correlograms and provides examples of its application on a case study using six rainfall events. This methodology is applied to three different alternatives to incorporate the radar information (as a secondary variable), and a comparison of performances is provided. In particular, their ability to reproduce in estimated rainfall fields (i) the rain gauge observations (in a cross-validation analysis) and (ii) the spatial patterns of radar fields are analyzed. Results seem to indicate that the methodology of kriging with external drift [KED], in combination with the technique of automatically computing 2-D spatial correlograms, provides merged rainfall fields with good agreement with rain gauges and with the most accurate approach to the spatial tendencies observed in the radar rainfall fields, when compared with other alternatives analyzed.

Elastic full-waveform inversion and parametrization analysis applied to walk-away vertical seismic profile data for unconventional (heavy oil) reservoir characterization

NASA Astrophysics Data System (ADS)

Pan, Wenyong; Innanen, Kristopher A.; Geng, Yu

2018-06-01

Seismic full-waveform inversion (FWI) methods hold strong potential to recover multiple subsurface elastic properties for hydrocarbon reservoir characterization. Simultaneously updating multiple physical parameters introduces the problem of interparameter trade-off, arising from the simultaneous variations of different physical parameters, which increase the nonlinearity and uncertainty of multiparameter FWI. The coupling effects of different physical parameters are significantly influenced by model parametrization and acquisition arrangement. An appropriate choice of model parametrization is important to successful field data applications of multiparameter FWI. The objective of this paper is to examine the performance of various model parametrizations in isotropic-elastic FWI with walk-away vertical seismic profile (W-VSP) data for unconventional heavy oil reservoir characterization. Six model parametrizations are considered: velocity-density (α, β and ρ΄), modulus-density (κ, μ and ρ), Lamé-density (λ, μ΄ and ρ‴), impedance-density (IP, IS and ρ″), velocity-impedance-I (α΄, β΄ and I_P^' }) and velocity-impedance-II (α″, β″ and I_S^' }). We begin analysing the interparameter trade-off by making use of scattering radiation patterns, which is a common strategy for qualitative parameter resolution analysis. We discuss the advantages and limitations of the scattering radiation patterns and recommend that interparameter trade-offs be evaluated using interparameter contamination kernels, which provide quantitative, second-order measurements of the interparameter contaminations and can be constructed efficiently with an adjoint-state approach. Synthetic W-VSP isotropic-elastic FWI experiments in the time domain verify our conclusions about interparameter trade-offs for various model parametrizations. Density profiles are most strongly influenced by the interparameter contaminations; depending on model parametrization, the inverted density profile can be overestimated, underestimated or spatially distorted. Among the six cases, only the velocity-density parametrization provides stable and informative density features not included in the starting model. Field data applications of multicomponent W-VSP isotropic-elastic FWI in the time domain were also carried out. The heavy oil reservoir target zone, characterized by low α-to-β ratios and low Poisson's ratios, can be identified clearly with the inverted isotropic-elastic parameters.

Electron acceleration by parametrically excited Langmuir waves. [in ionospheric modification

NASA Technical Reports Server (NTRS)

Fejer, J. A.; Graham, K. N.

1974-01-01

Simple physical arguments are used to estimate the downward-going energetic electron flux due to parametrically excited Langmuir waves in ionospheric modification experiments. The acceleration mechanism is a single velocity reversal as seen in the frame of the Langmuir wave. The flux is sufficient to produce the observed ionospheric airglow if focusing-type instabilities are invoked to produce moderate local enhancements of the pump field.

Study of Solid Particle Behavior in High Temperature Gas Flows

NASA Astrophysics Data System (ADS)

Majid, A.; Bauder, U.; Stindl, T.; Fertig, M.; Herdrich, G.; Röser, H.-P.

2009-01-01

The Euler-Lagrangian approach is used for the simulation of solid particles in hypersonic entry flows. For flow field simulation, the program SINA (Sequential Iterative Non-equilibrium Algorithm) developed at the Institut für Raumfahrtsysteme is used. The model for the effect of the carrier gas on a particle includes drag force and particle heating only. Other parameters like lift Magnus force or damping torque are not taken into account so far. The reverse effect of the particle phase on the gaseous phase is currently neglected. Parametric analysis is done regarding the impact of variation in the physical input conditions like position, velocity, size and material of the particle. Convective heat fluxes onto the surface of the particle and its radiative cooling are discussed. The variation of particle temperature under different conditions is presented. The influence of various input conditions on the trajectory is explained. A semi empirical model for the particle wall interaction is also discussed and the influence of the wall on the particle trajectory with different particle conditions is presented. The heat fluxes onto the wall due to impingement of particles are also computed and compared with the heat fluxes from the gas.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

DOE PAGES

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.; ...

2017-06-27

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.

PubMed

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J; Gagliardi, Laura; Smit, Berend

2017-07-20

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper-CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2 (formate) 4 . We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2 , even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller-Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

PubMed Central

2017-01-01

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate)2 and dicopper Cu2(formate)4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO2, even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems. PMID:28751926

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

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

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Dynamic actuation of single-crystal diamond nanobeams

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

Sohn, Young-Ik; Burek, Michael J.; Lončar, Marko, E-mail: loncar@seas.harvard.edu

2015-12-14

We show the dielectrophoretic actuation of single-crystal diamond nanomechanical devices. Gradient radio-frequency electromagnetic forces are used to achieve actuation of both cantilever and doubly clamped beam structures, with operation frequencies ranging from a few MHz to ∼50 MHz. Frequency tuning and parametric actuation are also studied.

Verification of High Resolution Soil Moisture and Latent Heat in Germany

NASA Astrophysics Data System (ADS)

Samaniego, L. E.; Warrach-Sagi, K.; Zink, M.; Wulfmeyer, V.

2012-12-01

Improving our understanding of soil-land-surface-atmosphere feedbacks is fundamental to make reliable predictions of water and energy fluxes on land systems influenced by anthropogenic activities. Estimating, for instance, which would be the likely consequences of changing climatic regimes on water availability and crop yield, requires of high resolution soil moisture. Modeling it at large-scales, however, is difficult and uncertain because of the interplay between state variables and fluxes and the significant parameter uncertainty of the predicting models. At larger scales, the sub-grid variability of the variables involved and the nonlinearity of the processes complicate the modeling exercise even further because parametrization schemes might be scale dependent. Two contrasting modeling paradigms (WRF/Noah-MP and mHM) were employed to quantify the effects of model and data complexity on soil moisture and latent heat over Germany. WRF/Noah-MP was forced ERA-interim on the boundaries of the rotated CORDEX-Grid (www.meteo.unican.es/wiki/cordexwrf) with a spatial resolution of 0.11o covering Europe during the period from 1989 to 2009. Land cover and soil texture were represented in WRF/Noah-MP with 1×1~km MODIS images and a single horizon, coarse resolution European-wide soil map with 16 soil texture classes, respectively. To ease comparison, the process-based hydrological model mHM was forced with daily precipitation and temperature fields generated by WRF during the same period. The spatial resolution of mHM was fixed at 4×4~km. The multiscale parameter regionalization technique (MPR, Samaniego et al. 2010) was embedded in mHM to be able to estimate effective model parameters using hyper-resolution input data (100×100~km) obtained from Corine land cover and detailed soil texture fields for various horizons comprising 72 soil texture classes for Germany, among other physiographical variables. mHM global parameters, in contrast with those of Noah-MP, were obtained by closing the water balance over major river basins in Germany. Simulated soil moisture and latent heat flux were also evaluated at several eddy covariance sites in Germany. Comparison of monthly soil moisture and latent heat fields obtained with both models over Germany exhibited significant differences, which are mainly attributed to the subgrid variability of key model parameters such as porosity and aerodynamic resistance. Comparison of soil moisture fields obtained with WRF/Noah-MP and mHM forced with grided metereological observations (German Meteorological Service) showed that the differences between both models are mainly due to a combination of precipitation bias and different soil texture resolution. However, EOF analyses indicate that CORDEX results start recovering structures due to soil and vegetation properties. This experiment clearly highlighted the importance of hyper resolution input data to address these challenge. High resolution mHM simulations also indicate that the parametric uncertainty of land surface models is significant, and should not be neglected if a model is to be employed for application at regional scales, e.g. for drought monitoring.

Nuclear spin relaxation due to chemical shift anisotropy of gas-phase 129Xe.

PubMed

Hanni, Matti; Lantto, Perttu; Vaara, Juha

2011-08-14

Nuclear spin relaxation provides detailed dynamical information on molecular systems and materials. Here, first-principles modeling of the chemical shift anisotropy (CSA) relaxation time for the prototypic monoatomic (129)Xe gas is carried out, both complementing and predicting the results of NMR measurements. Our approach is based on molecular dynamics simulations combined with pre-parametrized ab initio binary nuclear shielding tensors, an "NMR force field". By using the Redfield relaxation formalism, the simulated CSA time correlation functions lead to spectral density functions that, for the first time, quantitatively determine the experimental spin-lattice relaxation times T(1). The quality requirements on both the Xe-Xe interaction potential and binary shielding tensor are investigated in the context of CSA T(1). Persistent dimers Xe(2) are found to be responsible for the CSA relaxation mechanism in the low-density limit of the gas, completely in line with the earlier experimental findings.

Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane.

PubMed

Larentzos, James P; Rice, Betsy M

2017-03-09

Transferable ReaxFF-lg models of nitromethane that predict a variety of material properties over a wide range of thermodynamic states are obtained by screening a library of ∼6600 potentials that were previously optimized through the Multiple Objective Evolutionary Strategies (MOES) approach using a training set that included information for other energetic materials composed of carbon, hydrogen, nitrogen, and oxygen. Models that best match experimental nitromethane lattice constants at 4.2 K and 1 atm are evaluated for transferability to high-pressure states at room temperature and are shown to better predict various liquid- and solid-phase structural, thermodynamic, and transport properties as compared to the existing ReaxFF and ReaxFF-lg parametrizations. Although demonstrated for an energetic material, the library of ReaxFF-lg models is supplied to the scientific community to enable new research explorations of complex reactive phenomena in a variety of materials research applications.

Ponderomotive dynamics of waves in quasiperiodically modulated media

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

Ruiz, D. E.; Dodin, I. Y.

Similarly to how charged particles experience time-averaged ponderomotive forces in high-frequency fields, linear waves also experience time-averaged refraction in modulated media. We propose a covariant variational theory of this ponderomotive effect on waves for a general nondissipative linear medium. Using the Weyl calculus, our formulation accommodates waves with temporal and spatial period comparable to that of the modulation (provided that parametric resonances are avoided). This theory also shows that any wave is, in fact, a polarizable object that contributes to the linear dielectric tensor of the ambient medium. Furthermore, the dynamics of quantum particles is subsumed as a special case.more » As an illustration, ponderomotive Hamiltonians of quantum particles and photons are calculated within a number of models. We also explain a fundamental connection between these results and the well-known electrostatic dielectric tensor of quantum plasmas.« less

Ponderomotive dynamics of waves in quasiperiodically modulated media

DOE PAGES

Ruiz, D. E.; Dodin, I. Y.

2017-03-14

Similarly to how charged particles experience time-averaged ponderomotive forces in high-frequency fields, linear waves also experience time-averaged refraction in modulated media. We propose a covariant variational theory of this ponderomotive effect on waves for a general nondissipative linear medium. Using the Weyl calculus, our formulation accommodates waves with temporal and spatial period comparable to that of the modulation (provided that parametric resonances are avoided). This theory also shows that any wave is, in fact, a polarizable object that contributes to the linear dielectric tensor of the ambient medium. Furthermore, the dynamics of quantum particles is subsumed as a special case.more » As an illustration, ponderomotive Hamiltonians of quantum particles and photons are calculated within a number of models. We also explain a fundamental connection between these results and the well-known electrostatic dielectric tensor of quantum plasmas.« less

All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins.

PubMed

Arnautova, Yelena A; Abagyan, Ruben; Totrov, Maxim

2015-05-12

We present an extension of the all-atom internal-coordinate force field, ICMFF, that allows for simulation of heterogeneous systems including hexopyranose saccharides and glycan chains in addition to proteins. A library of standard glycan geometries containing α- and β-anomers of the most common hexapyranoses, i.e., d-galactose, d-glucose, d-mannose, d-xylose, l-fucose, N -acetylglucosamine, N -acetylgalactosamine, sialic, and glucuronic acids, is created based on the analysis of the saccharide structures reported in the Cambridge Structural Database. The new force field parameters include molecular electrostatic potential-derived partial atomic charges and the torsional parameters derived from quantum mechanical data for a collection of minimal molecular fragments and related molecules. The ϕ/ψ torsional parameters for different types of glycosidic linkages are developed using model compounds containing the key atoms in the full carbohydrates, i.e., glycosidic-linked tetrahydropyran-cyclohexane dimers. Target data for parameter optimization include two-dimensional energy surfaces corresponding to the ϕ/ψ glycosidic dihedral angles in the disaccharide analogues, as determined by quantum mechanical MP2/6-31G** single-point energies on HF/6-31G** optimized structures. To achieve better agreement with the observed geometries of glycosidic linkages, the bond angles at the O-linkage atoms are added to the internal variable set and the corresponding bond bending energy term is parametrized using quantum mechanical data. The resulting force field is validated on glycan chains of 1-12 residues from a set of high-resolution X-ray glycoprotein structures based on heavy atom root-mean-square deviations of the lowest-energy glycan conformations generated by the biased probability Monte Carlo (BPMC) molecular mechanics simulations from the native structures. The appropriate BPMC distributions for monosaccharide-monosaccharide and protein-glycan linkages are derived from the extensive analysis of conformational properties of glycoprotein structures reported in the Protein Data Bank. Use of the BPMC search leads to significant improvements in sampling efficiency for glycan simulations. Moreover, good agreement with the X-ray glycoprotein structures is achieved for all glycan chain lengths. Thus, average/median RMSDs are 0.81/0.68 Å for one-residue glycans and 1.32/1.47 Å for three-residue glycans. RMSD from the native structure for the lowest-energy conformation of the 12-residue glycan chain (PDB ID 3og2) is 1.53 Å. Additionally, results obtained for free short oligosaccharides using the new force field are in line with the available experimental data, i.e., the most populated conformations in solution are predicted to be the lowest energy ones. The newly developed parameters allow for the accurate modeling of linear and branched hexopyranose glycosides in heterogeneous systems.

Design Methodology of a Dual-Halbach Array Linear Actuator with Thermal-Electromagnetic Coupling

PubMed Central

Eckert, Paulo Roberto; Flores Filho, Aly Ferreira; Perondi, Eduardo; Ferri, Jeferson; Goltz, Evandro

2016-01-01

This paper proposes a design methodology for linear actuators, considering thermal and electromagnetic coupling with geometrical and temperature constraints, that maximizes force density and minimizes force ripple. The method allows defining an actuator for given specifications in a step-by-step way so that requirements are met and the temperature within the device is maintained under or equal to its maximum allowed for continuous operation. According to the proposed method, the electromagnetic and thermal models are built with quasi-static parametric finite element models. The methodology was successfully applied to the design of a linear cylindrical actuator with a dual quasi-Halbach array of permanent magnets and a moving-coil. The actuator can produce an axial force of 120 N and a stroke of 80 mm. The paper also presents a comparative analysis between results obtained considering only an electromagnetic model and the thermal-electromagnetic coupled model. This comparison shows that the final designs for both cases differ significantly, especially regarding its active volume and its electrical and magnetic loading. Although in this paper the methodology was employed to design a specific actuator, its structure can be used to design a wide range of linear devices if the parametric models are adjusted for each particular actuator. PMID:26978370

Design Methodology of a Dual-Halbach Array Linear Actuator with Thermal-Electromagnetic Coupling.

PubMed

Eckert, Paulo Roberto; Flores Filho, Aly Ferreira; Perondi, Eduardo; Ferri, Jeferson; Goltz, Evandro

2016-03-11

This paper proposes a design methodology for linear actuators, considering thermal and electromagnetic coupling with geometrical and temperature constraints, that maximizes force density and minimizes force ripple. The method allows defining an actuator for given specifications in a step-by-step way so that requirements are met and the temperature within the device is maintained under or equal to its maximum allowed for continuous operation. According to the proposed method, the electromagnetic and thermal models are built with quasi-static parametric finite element models. The methodology was successfully applied to the design of a linear cylindrical actuator with a dual quasi-Halbach array of permanent magnets and a moving-coil. The actuator can produce an axial force of 120 N and a stroke of 80 mm. The paper also presents a comparative analysis between results obtained considering only an electromagnetic model and the thermal-electromagnetic coupled model. This comparison shows that the final designs for both cases differ significantly, especially regarding its active volume and its electrical and magnetic loading. Although in this paper the methodology was employed to design a specific actuator, its structure can be used to design a wide range of linear devices if the parametric models are adjusted for each particular actuator.

New graph polynomials in parametric QED Feynman integrals

NASA Astrophysics Data System (ADS)

Golz, Marcel

2017-10-01

In recent years enormous progress has been made in perturbative quantum field theory by applying methods of algebraic geometry to parametric Feynman integrals for scalar theories. The transition to gauge theories is complicated not only by the fact that their parametric integrand is much larger and more involved. It is, moreover, only implicitly given as the result of certain differential operators applied to the scalar integrand exp(-ΦΓ /ΨΓ) , where ΨΓ and ΦΓ are the Kirchhoff and Symanzik polynomials of the Feynman graph Γ. In the case of quantum electrodynamics we find that the full parametric integrand inherits a rich combinatorial structure from ΨΓ and ΦΓ. In the end, it can be expressed explicitly as a sum over products of new types of graph polynomials which have a combinatoric interpretation via simple cycle subgraphs of Γ.

Generation of squeezed microwave states by a dc-pumped degenerate parametric Josephson junction oscillator

NASA Astrophysics Data System (ADS)

Kaertner, Franz X.; Russer, Peter

1990-11-01

The master equation for a dc-pumped degenerate Josephson parametric amplifier is derived. It is shown that the Wigner distribution representation of this master equation can be approximated by a Fokker-Planck equation. By using this equation, the dynamical behavior of this degenerate Josephson amplifier with respect to squeezing of the radiation field is investigated. It is shown that below threshold of parametric oscillation, a squeezed vacuum state can be generated, and above threshold a second bifurcation point exists, where the device generates amplitude squeezed radiation. Basic relations between the achievable amplitude squeezing, the output power, and the operation frequency are derived.

Frequency comb generation in a continuously pumped optical parametric oscillator

NASA Astrophysics Data System (ADS)

Mosca, S.; Parisi, M.; Ricciardi, I.; Leo, F.; Hansson, T.; Erkintalo, M.; Maddaloni, P.; De Natale, P.; Wabnitz, S.; De Rosa, M.

2018-02-01

We demonstrate optical frequency comb generation in a continuously pumped optical parametric oscillator, in the parametric region around half of the pump frequency. We also model the dynamics of such quadratic combs using a single time-domain mean-field equation, and obtain simulation results that are in good agreement with experimentally observed spectra. Moreover, we numerically investigate the coherence properties of simulated combs, showing the existence of correlated and phase-locked combs. Our work could pave the way for a new class of frequency comb sources, which may enable straightforward access to new spectral regions and stimulate novel applications of frequency combs.

Polarization switch of four-wave mixing in a lawtunable fiber optical parametric oscillator.

PubMed

Yang, Kangwen; Ye, Pengbo; Zheng, Shikai; Jiang, Jieshi; Huang, Kun; Hao, Qiang; Zeng, Heping

2018-02-05

We reported the simultaneous generation and selective manipulation of scalar and cross-phase modulation instabilities in a fiber optical parametric oscillator. Numerical and experimental results show independent control of parametric gain by changing the input pump polarization state. The resonant cavity enables power enhancement of 45 dB for the spontaneous sidebands, generating laser pulses tunable from 783 to 791 nm and 896 to 1005 nm due to the combination of four-wave mixing, cascaded Raman scattering and other nonlinear effects. This gain controlled, wavelength tunable, fiber-based laser source may find applications in the fields of nonlinear biomedical imaging and stimulated Raman spectroscopy.

Phase mismatched optical parametric generation in semiconductor magnetoplasma

NASA Astrophysics Data System (ADS)

Dubey, Swati; Ghosh, S.; Jain, Kamal

2017-05-01

Optical parametric generation involves the interaction of pump, signal, and idler waves satisfying law of conservation of energy. Phase mismatch parameter plays important role for the spatial distribution of the field along the medium. In this paper instead of exactly matching wave vector, a small mismatch is admitted with a degree of phase velocity mismatch between these waves. Hence the medium must possess certain finite coherence length. This wave mixing process is well explained by coupled mode theory and one dimensional hydrodynamic model. Based on this scheme, expressions for threshold pump field and transmitted intensity have been derived. It is observed that the threshold pump intensity and transmitted intensity can be manipulated by varying doping concentration and magnetic field under phase mismatched condition. A compound semiconductor crystal of n-InSb is assumed to be shined at 77 K by a 10.6μm CO2 laser with photon energy well below band gap energy of the crystal, so that only free charge carrier influence the optical properties of the medium for the I.R. parametric generation in a semiconductor plasma medium. Favorable parameters were explored to incite the said process keeping in mind the cost effectiveness and conversion efficiency of the process.

A parametric shell analysis of the shuttle 51-L SRB AFT field joint

NASA Technical Reports Server (NTRS)

Davis, Randall C.; Bowman, Lynn M.; Hughes, Robert M., IV; Jackson, Brian J.

1990-01-01

Following the Shuttle 51-L accident, an investigation was conducted to determine the cause of the failure. Investigators at the Langley Research Center focused attention on the structural behavior of the field joints with O-ring seals in the steel solid rocket booster (SRB) cases. The shell-of-revolution computer program BOSOR4 was used to model the aft field joint of the solid rocket booster case. The shell model consisted of the SRB wall and joint geometry present during the Shuttle 51-L flight. A parametric study of the joint was performed on the geometry, including joint clearances, contact between the joint components, and on the loads, induced and applied. In addition combinations of geometry and loads were evaluated. The analytical results from the parametric study showed that contact between the joint components was a primary contributor to allowing hot gases to blow by the O-rings. Based upon understanding the original joint behavior, various proposed joint modifications are shown and analyzed in order to provide additional insight and information. Finally, experimental results from a hydro-static pressurization of a test rocket booster case to study joint motion are presented and verified analytically.

Single-particle potential of the Λ hyperon in nuclear matter with chiral effective field theory NLO interactions including effects of Y N N three-baryon interactions

NASA Astrophysics Data System (ADS)

Kohno, M.

2018-03-01

Adopting hyperon-nucleon and hyperon-nucleon-nucleon interactions parametrized in chiral effective field theory, single-particle potentials of the Λ and Σ hyperons are evaluated in symmetric nuclear matter and in pure neutron matter within the framework of lowest-order Bruckner theory. The chiral NLO interaction bears strong Λ N -Σ N coupling. Although the Λ potential is repulsive if the coupling is switched off, the Λ N -Σ N correlation brings about the attraction consistent with empirical data. The Σ potential is repulsive, which is also consistent with empirical information. The interesting result is that the Λ potential becomes shallower beyond normal density. This provides the possibility of solving the hyperon puzzle without introducing ad hoc assumptions. The effects of the Λ N N -Λ N N and Λ N N -Σ N N three-baryon forces are considered. These three-baryon forces are first reduced to normal-ordered effective two-baryon interactions in nuclear matter and then incorporated in the G -matrix equation. The repulsion from the Λ N N -Λ N N interaction is of the order of 5 MeV at normal density and becomes larger with increasing density. The effects of the Λ N N -Σ N N coupling compensate the repulsion at normal density. The net effect of the three-baryon interactions on the Λ single-particle potential is repulsive at higher densities.

Jet-induced ground effects on a parametric flat-plate model in hover

NASA Technical Reports Server (NTRS)

Wardwell, Douglas A.; Hange, Craig E.; Kuhn, Richard E.; Stewart, Vearl R.

1993-01-01

The jet-induced forces generated on short takeoff and vertical landing (STOVL) aircraft when in close proximity to the ground can have a significant effect on aircraft performance. Therefore, accurate predictions of these aerodynamic characteristics are highly desirable. Empirical procedures for estimating jet-induced forces during the vertical/short takeoff and landing (V/STOL) portions of the flight envelope are currently limited in accuracy. The jet-induced force data presented significantly add to the current STOVL configurations data base. Further development of empirical prediction methods for jet-induced forces, to provide more configuration diversity and improved overall accuracy, depends on the viability of this STOVL data base. The data base may also be used to validate computational fluid dynamics (CFD) analysis codes. The hover data obtained at the NASA Ames Jet Calibration and Hover Test (JCAHT) facility for a parametric flat-plate model is presented. The model tested was designed to allow variations in the planform aspect ratio, number of jets, nozzle shape, and jet location. There were 31 different planform/nozzle configurations tested. Each configuration had numerous pressure taps installed to measure the pressures on the undersurface of the model. All pressure data along with the balance jet-induced lift and pitching-moment increments are tabulated. For selected runs, pressure data are presented in the form of contour plots that show lines of constant pressure coefficient on the model undersurface. Nozzle-thrust calibrations and jet flow-pressure survey information are also provided.

Representations of spacetime diffeomorphisms. I. Canonical parametrized field theories

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

Isham, C.J.; Kuchar, K.V.

The super-Hamiltonian and supermomentum in canonical geometrodynamics or in a parametried field theory on a given Riemannian background have Poisson brackets which obey the Dirac relations. By smearing the supermomentum with vector fields VepsilonL Diff..sigma.. on the space manifold ..sigma.., the Lie algebra L Diff ..sigma.. of the spatial diffeomorphism group Diff ..sigma.. can be mapped antihomomorphically into the Poisson bracket algebra on the phase space of the system. The explicit dependence of the Poisson brackets between two super-Hamiltonians on canonical coordinates (spatial metrics in geometrodynamics and embedding variables in parametrized theories) is usually regarded as an indication that themore » Dirac relations cannot be connected with a representation of the complete Lie algebra L Diff M of spacetime diffeomorphisms.« less

The reduced basis method for the electric field integral equation

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

Fares, M., E-mail: fares@cerfacs.f; Hesthaven, J.S., E-mail: Jan_Hesthaven@Brown.ed; Maday, Y., E-mail: maday@ann.jussieu.f

We introduce the reduced basis method (RBM) as an efficient tool for parametrized scattering problems in computational electromagnetics for problems where field solutions are computed using a standard Boundary Element Method (BEM) for the parametrized electric field integral equation (EFIE). This combination enables an algorithmic cooperation which results in a two step procedure. The first step consists of a computationally intense assembling of the reduced basis, that needs to be effected only once. In the second step, we compute output functionals of the solution, such as the Radar Cross Section (RCS), independently of the dimension of the discretization space, formore » many different parameter values in a many-query context at very little cost. Parameters include the wavenumber, the angle of the incident plane wave and its polarization.« less

Robust simulation of buckled structures using reduced order modeling

NASA Astrophysics Data System (ADS)

Wiebe, R.; Perez, R. A.; Spottswood, S. M.

2016-09-01

Lightweight metallic structures are a mainstay in aerospace engineering. For these structures, stability, rather than strength, is often the critical limit state in design. For example, buckling of panels and stiffeners may occur during emergency high-g maneuvers, while in supersonic and hypersonic aircraft, it may be induced by thermal stresses. The longstanding solution to such challenges was to increase the sizing of the structural members, which is counter to the ever present need to minimize weight for reasons of efficiency and performance. In this work we present some recent results in the area of reduced order modeling of post- buckled thin beams. A thorough parametric study of the response of a beam to changing harmonic loading parameters, which is useful in exposing complex phenomena and exercising numerical models, is presented. Two error metrics that use but require no time stepping of a (computationally expensive) truth model are also introduced. The error metrics are applied to several interesting forcing parameter cases identified from the parametric study and are shown to yield useful information about the quality of a candidate reduced order model. Parametric studies, especially when considering forcing and structural geometry parameters, coupled environments, and uncertainties would be computationally intractable with finite element models. The goal is to make rapid simulation of complex nonlinear dynamic behavior possible for distributed systems via fast and accurate reduced order models. This ability is crucial in allowing designers to rigorously probe the robustness of their designs to account for variations in loading, structural imperfections, and other uncertainties.

Driven Bose-Hubbard model with a parametrically modulated harmonic trap

NASA Astrophysics Data System (ADS)

Mann, N.; Bakhtiari, M. Reza; Massel, F.; Pelster, A.; Thorwart, M.

2017-04-01

We investigate a one-dimensional Bose-Hubbard model in a parametrically driven global harmonic trap. The delicate interplay of both the local interaction of the atoms in the lattice and the driving of the global trap allows us to control the dynamical stability of the trapped quantum many-body state. The impact of the atomic interaction on the dynamical stability of the driven quantum many-body state is revealed in the regime of weak interaction by analyzing a discretized Gross-Pitaevskii equation within a Gaussian variational ansatz, yielding a Mathieu equation for the condensate width. The parametric resonance condition is shown to be modified by the atom interaction strength. In particular, the effective eigenfrequency is reduced for growing interaction in the mean-field regime. For a stronger interaction, the impact of the global parametric drive is determined by the numerically exact time-evolving block decimation scheme. When the trapped bosons in the lattice are in a Mott insulating state, the absorption of energy from the driving field is suppressed due to the strongly reduced local compressibility of the quantum many-body state. In particular, we find that the width of the local Mott region shows a breathing dynamics. Finally, we observe that the global modulation also induces an effective time-independent inhomogeneous hopping strength for the atoms.

Theoretical studies of the solar atmosphere and interstellar pickup ions

NASA Technical Reports Server (NTRS)

1994-01-01

Solar atmosphere research activities are summarized. Specific topics addressed include: (1) coronal mass ejections and related phenomena; (2) parametric instabilities of Alfven waves; (3) pickup ions in the solar wind; and (4) cosmic rays in the outer heliosphere. Also included is a list of publications covering the following topics: catastrophic evolution of a force-free flux rope; maximum energy release in flux-rope models of eruptive flares; sheet approximations in models of eruptive flares; material ejection, motions of loops and ribbons of two-ribbon flares; dispersion relations for parametric instabilities of parallel-propagating; parametric instabilities of parallel-propagating Alfven waves; beat, modulation, and decay instabilities of a circularly-polarized Alfven wave; effects of time-dependent photoionization on interstellar pickup helium; observation of waves generated by the solar wind pickup of interstellar hydrogen ions; ion thermalization and wave excitation downstream of the quasi-perpendicular bowshock; ion cyclotron instability and the inverse correlation between proton anisotrophy and proton beta; and effects of cosmic rays and interstellar gas on the dynamics of a wind.

An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches

DOE PAGES

Huang, Jing; Mei, Ye; König, Gerhard; ...

2017-01-24

Here in this work, we report two polarizable molecular mechanics (polMM) force field models for estimating the polarization energy in hybrid quantum mechanical molecular mechanical (QM/MM) calculations. These two models, named the potential of atomic charges (PAC) and potential of atomic dipoles (PAD), are formulated from the ab initio quantum mechanical (QM) response kernels for the prediction of the QM density response to an external molecular mechanical (MM) environment (as described by external point charges). The PAC model is similar to fluctuating charge (FQ) models because the energy depends on external electrostatic potential values at QM atomic sites; the PADmore » energy depends on external electrostatic field values at QM atomic sites, resembling induced dipole (ID) models. To demonstrate their uses, we apply the PAC and PAD models to 12 small molecules, which are solvated by TIP3P water. The PAC model reproduces the QM/MM polarization energy with a R 2 value of 0.71 for aniline (in 10,000 TIP3P water configurations) and 0.87 or higher for other eleven solute molecules, while the PAD model has a much better performance with R 2 values of 0.98 or higher. The PAC model reproduces reference QM/MM hydration free energies for 12 solute molecules with a RMSD of 0.59 kcal/mol. The PAD model is even more accurate, with a much smaller RMSD of 0.12 kcal/mol, with respect to the reference. Lastly, this suggests that polarization effects, including both local charge distortion and intramolecular charge transfer, can be well captured by induced dipole type models with proper parametrization.« less

An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.

PubMed

Huang, Jing; Mei, Ye; König, Gerhard; Simmonett, Andrew C; Pickard, Frank C; Wu, Qin; Wang, Lee-Ping; MacKerell, Alexander D; Brooks, Bernard R; Shao, Yihan

2017-02-14

In this work, we report two polarizable molecular mechanics (polMM) force field models for estimating the polarization energy in hybrid quantum mechanical molecular mechanical (QM/MM) calculations. These two models, named the potential of atomic charges (PAC) and potential of atomic dipoles (PAD), are formulated from the ab initio quantum mechanical (QM) response kernels for the prediction of the QM density response to an external molecular mechanical (MM) environment (as described by external point charges). The PAC model is similar to fluctuating charge (FQ) models because the energy depends on external electrostatic potential values at QM atomic sites; the PAD energy depends on external electrostatic field values at QM atomic sites, resembling induced dipole (ID) models. To demonstrate their uses, we apply the PAC and PAD models to 12 small molecules, which are solvated by TIP3P water. The PAC model reproduces the QM/MM polarization energy with a R 2 value of 0.71 for aniline (in 10,000 TIP3P water configurations) and 0.87 or higher for other 11 solute molecules, while the PAD model has a much better performance with R 2 values of 0.98 or higher. The PAC model reproduces reference QM/MM hydration free energies for 12 solute molecules with a RMSD of 0.59 kcal/mol. The PAD model is even more accurate, with a much smaller RMSD of 0.12 kcal/mol, with respect to the reference. This suggests that polarization effects, including both local charge distortion and intramolecular charge transfer, can be well captured by induced dipole type models with proper parametrization.

An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches

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

Huang, Jing; Mei, Ye; König, Gerhard

Here in this work, we report two polarizable molecular mechanics (polMM) force field models for estimating the polarization energy in hybrid quantum mechanical molecular mechanical (QM/MM) calculations. These two models, named the potential of atomic charges (PAC) and potential of atomic dipoles (PAD), are formulated from the ab initio quantum mechanical (QM) response kernels for the prediction of the QM density response to an external molecular mechanical (MM) environment (as described by external point charges). The PAC model is similar to fluctuating charge (FQ) models because the energy depends on external electrostatic potential values at QM atomic sites; the PADmore » energy depends on external electrostatic field values at QM atomic sites, resembling induced dipole (ID) models. To demonstrate their uses, we apply the PAC and PAD models to 12 small molecules, which are solvated by TIP3P water. The PAC model reproduces the QM/MM polarization energy with a R 2 value of 0.71 for aniline (in 10,000 TIP3P water configurations) and 0.87 or higher for other eleven solute molecules, while the PAD model has a much better performance with R 2 values of 0.98 or higher. The PAC model reproduces reference QM/MM hydration free energies for 12 solute molecules with a RMSD of 0.59 kcal/mol. The PAD model is even more accurate, with a much smaller RMSD of 0.12 kcal/mol, with respect to the reference. Lastly, this suggests that polarization effects, including both local charge distortion and intramolecular charge transfer, can be well captured by induced dipole type models with proper parametrization.« less

Modeling the Earth's magnetospheric magnetic field confined within a realistic magnetopause

NASA Technical Reports Server (NTRS)

Tsyganenko, N. A.

1995-01-01

Empirical data-based models of the magnetosphereic magnetic field have been widely used during recent years. However, the existing models (Tsyganenko, 1987, 1989a) have three serious deficiencies: (1) an unstable de facto magnetopause, (2) a crude parametrization by the K(sub p) index, and (3) inaccuracies in the equatorial magnetotail B(sub z) values. This paper describes a new approach to the problem; the essential new features are (1) a realistic shape and size of the magnetopause, based on fits to a large number of observed crossing (allowing a parametrization by the solar wind pressure), (2) fully controlled shielding of the magnetic field produced by all magnetospheric current systems, (3) new flexible representations for the tail and ring currents, and (4) a new directional criterion for fitting the model field to spacecraft data, providing improved accuracy for field line mapping. Results are presented from initial efforts to create models assembled from these modules and calibrated against spacecraft data sets.

Non-parametric determination of H and He interstellar fluxes from cosmic-ray data

NASA Astrophysics Data System (ADS)

Ghelfi, A.; Barao, F.; Derome, L.; Maurin, D.

2016-06-01

Context. Top-of-atmosphere (TOA) cosmic-ray (CR) fluxes from satellites and balloon-borne experiments are snapshots of the solar activity imprinted on the interstellar (IS) fluxes. Given a series of snapshots, the unknown IS flux shape and the level of modulation (for each snapshot) can be recovered. Aims: We wish (I) to provide the most accurate determination of the IS H and He fluxes from TOA data alone; (II) to obtain the associated modulation levels (and uncertainties) while fully accounting for the correlations with the IS flux uncertainties; and (III) to inspect whether the minimal force-field approximation is sufficient to explain all the data at hand. Methods: Using H and He TOA measurements, including the recent high-precision AMS, BESS-Polar, and PAMELA data, we performed a non-parametric fit of the IS fluxes JISH,~He and modulation level φI for each data-taking period. We relied on a Markov chain Monte Carlo (MCMC) engine to extract the probability density function and correlations (hence the credible intervals) of the sought parameters. Results: Although H and He are the most abundant and best measured CR species, several datasets had to be excluded from the analysis because of inconsistencies with other measurements. From the subset of data passing our consistency cut, we provide ready-to-use best-fit and credible intervals for the H and He IS fluxes from MeV/n to PeV/n energy (with a relative precision in the range [ 2-10% ] at 1σ). Given the strong correlation between JIS and φI parameters, the uncertainties on JIS translate into Δφ ≈ ± 30 MV (at 1σ) for all experiments. We also find that the presence of 3He in He data biases φ towards higher φ values by ~30 MV. The force-field approximation, despite its limitation, gives an excellent (χ2/d.o.f. = 1.02) description of the recent high-precision TOA H and He fluxes. Conclusions: The analysis must be extended to different charge species and more realistic modulation models. It would benefit from the AMS-02 unique capability of providing frequent high-precision snapshots of the TOA fluxes over a full solar cycle.

Parametric excitation and squeezing in a many-body spinor condensate

PubMed Central

Hoang, T. M.; Anquez, M.; Robbins, B. A.; Yang, X. Y.; Land, B. J.; Hamley, C. D.; Chapman, M. S.

2016-01-01

Atomic spins are usually manipulated using radio frequency or microwave fields to excite Rabi oscillations between different spin states. These are single-particle quantum control techniques that perform ideally with individual particles or non-interacting ensembles. In many-body systems, inter-particle interactions are unavoidable; however, interactions can be used to realize new control schemes unique to interacting systems. Here we demonstrate a many-body control scheme to coherently excite and control the quantum spin states of an atomic Bose gas that realizes parametric excitation of many-body collective spin states by time varying the relative strength of the Zeeman and spin-dependent collisional interaction energies at multiples of the natural frequency of the system. Although parametric excitation of a classical system is ineffective from the ground state, we show that in our experiment, parametric excitation from the quantum ground state leads to the generation of quantum squeezed states. PMID:27044675

Inverse four-wave-mixing and self-parametric amplification effect in optical fibre

PubMed Central

Turitsyn, Sergei K.; Bednyakova, Anastasia E.; Fedoruk, Mikhail P.; Papernyi, Serguei B.; Clements, Wallace R.L.

2015-01-01

An important group of nonlinear processes in optical fibre involves the mixing of four waves due to the intensity dependence of the refractive index. It is customary to distinguish between nonlinear effects that require external/pumping waves (cross-phase modulation and parametric processes such as four-wave mixing) and self-action of the propagating optical field (self-phase modulation and modulation instability). Here, we present a new nonlinear self-action effect, self-parametric amplification (SPA), which manifests itself as optical spectrum narrowing in normal dispersion fibre, leading to very stable propagation with a distinctive spectral distribution. The narrowing results from an inverse four-wave mixing, resembling an effective parametric amplification of the central part of the spectrum by energy transfer from the spectral tails. SPA and the observed stable nonlinear spectral propagation with random temporal waveform can find applications in optical communications and high power fibre lasers with nonlinear intra-cavity dynamics. PMID:26345290

Parametric excitation and squeezing in a many-body spinor condensate

NASA Astrophysics Data System (ADS)

Hoang, T. M.; Anquez, M.; Robbins, B. A.; Yang, X. Y.; Land, B. J.; Hamley, C. D.; Chapman, M. S.

2016-04-01

Atomic spins are usually manipulated using radio frequency or microwave fields to excite Rabi oscillations between different spin states. These are single-particle quantum control techniques that perform ideally with individual particles or non-interacting ensembles. In many-body systems, inter-particle interactions are unavoidable; however, interactions can be used to realize new control schemes unique to interacting systems. Here we demonstrate a many-body control scheme to coherently excite and control the quantum spin states of an atomic Bose gas that realizes parametric excitation of many-body collective spin states by time varying the relative strength of the Zeeman and spin-dependent collisional interaction energies at multiples of the natural frequency of the system. Although parametric excitation of a classical system is ineffective from the ground state, we show that in our experiment, parametric excitation from the quantum ground state leads to the generation of quantum squeezed states.

On the interrelation of divergence, flutter and auto-parametric resonance.

NASA Technical Reports Server (NTRS)

Herrmann, G.; Hauger, W.

1973-01-01

The dependence between static instability and kinetic instability (flutter) on autoparameteric resonance is studied by taking compressibility into account in a model of a cantilever beam under the action of a follower force. It is shown that both instabilities are formally special cases of instabilities known as subharmonic and combination resonances.

Force Project Technology Presentation to the NRCC

DTIC Science & Technology

2014-02-04

Functional Bridge components Smart Odometer Adv Pretreatment Smart Bridge Multi-functional Gap Crossing Fuel Automated Tracking System Adv...comprehensive matrix of candidate composite material systems and textile reinforcement architectures via modeling/analyses and testing. Product(s...Validated Dynamic Modeling tool based on parametric study using material models to reliably predict the textile mechanics of the hose

First Numerical Simulations of Turbulent Dynamos Driven by Libration, Precession and Tides in Triaxial Ellipsoids - An Alternative Route for Planetary Magnetism

NASA Astrophysics Data System (ADS)

Le Bars, M.; Kanuganti, S. R.; Favier, B.

2017-12-01

Most of the time, planetary dynamos are - tacitly or not - associated with thermo-solutal convection. The convective dynamo model has indeed proven successful to explain the current Earth's magnetic field. However, its results are sometimes difficult to reconcile with observational data and its validity can be questioned for several celestial bodies. For instance, the small size of the Moon and Ganymede makes it difficult to maintain a sufficient temperature gradient to sustain convection and to explain their past and present magnetic fields, respectively. The same caveat applies to the growing number of planetesimals shown to have generated magnetic fields in their early history. Finally, the energy budget of the early Earth is difficult to reconcile with a convective dynamo before the onset of inner core growth. Significant effort has thus been put into finding new routes for planetary dynamo. In particular, the rotational dynamics of planets, moons and small bodies, where their average spinning motion is periodically perturbed by the small mechanical forcings of libration, precession and/or tides, is now widely accepted as an efficient source of core turbulence. The underlying mechanism relies on a parametric instability where the inertial waves of the rotating fluid core are resonantly excited by the small forcing, leading to exponential growth and bulk filling intense motions, pumping their energy from the orbital dynamics. Dynamos driven by mechanical forcing have been suggested for the Moon, Mars, Io, the early Earth, etc. However, the real dynamo capacity of the corresponding flows has up-to-now been studied only in very limited cases, with simplified spherical/spheroidal geometries and/or overly viscous fluids. We will present here the first numerical simulations of dynamos driven by libration, precession and tides, in the triaxial ellipsoidal geometry and in the turbulent regime relevant for planetary cores. We will describe the numerical techniques required to tackle this challenge and present the first results describing the associated magnetic field in terms of amplitude, energy budget, and spatiotemporal signature. We hope to motivate others to participate in the exploration of the wide parameter space, a necessary work for addressing the variety of observed past and present magnetic fields.

Influence of Capillary Force and Buoyancy on CO2 Migration During CO2 Injection in a Sandstone Reservoir

NASA Astrophysics Data System (ADS)

Wu, H.; Pollyea, R.

2017-12-01

Carbon capture and sequestration (CCS) is one component of a broad carbon management portfolio designed to mitigate adverse effects of anthropogenic CO2 emissions. During CCS, capillary trapping is an important mechanism for CO2 isolation in the disposal reservoir, and, as a result, the distribution of capillary force is an important factor affecting CO2 migration. Moreover, the movement of CO2 being injected to the reservoir is also affected by buoyancy, which results from the density difference between CO2 and brine. In order to understand interactions between capillary force and buoyancy, we implement a parametric modeling experiment of CO2 injections in a sandstone reservoir for combinations of the van Genuchten capillary pressure model that bound the range of capillary pressure-saturation curves measured in laboratory experiments. We simulate ten years supercritical CO2 (scCO2) injections within a 2-D radially symmetric sandstone reservoir for five combinations of the van Genuchten model parameters λ and entry pressure (P0). Results are analyzed on the basis of a modified dimensionless ratio, ω, which is similar to the Bond number and defines the relationship between buoyancy pressure and capillary pressure. We show how parametric variability affects the relationship between buoyancy and capillary force, and thus controls CO2 plume geometry. These results indicate that when ω >1, then buoyancy governs the system and CO2 plume geometry is governed by upward flow. In contrast, when ω <1, then buoyancy is smaller than capillary force and lateral flow governs CO2 plume geometry. As a result, we show that the ω ratio is an easily implemented screening tool for qualitative assessment of reservoir performance.

Estimation of viscoelastic parameters in Prony series from shear wave propagation

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

Jung, Jae-Wook; Hong, Jung-Wuk, E-mail: j.hong@kaist.ac.kr, E-mail: jwhong@alum.mit.edu; Lee, Hyoung-Ki

2016-06-21

When acquiring accurate ultrasonic images, we must precisely estimate the mechanical properties of the soft tissue. This study investigates and estimates the viscoelastic properties of the tissue by analyzing shear waves generated through an acoustic radiation force. The shear waves are sourced from a localized pushing force acting for a certain duration, and the generated waves travel horizontally. The wave velocities depend on the mechanical properties of the tissue such as the shear modulus and viscoelastic properties; therefore, we can inversely calculate the properties of the tissue through parametric studies.

Electric field control in DC cable test termination by nano silicone rubber composite

NASA Astrophysics Data System (ADS)

Song, Shu-Wei; Li, Zhongyuan; Zhao, Hong; Zhang, Peihong; Han, Baozhong; Fu, Mingli; Hou, Shuai

2017-07-01

The electric field distributions in high voltage direct current cable termination are investigated with silicone rubber nanocomposite being the electric stress control insulator. The nanocomposite is composed of silicone rubber, nanoscale carbon black and graphitic carbon. The experimental results show that the physical parameters of the nanocomposite, such as thermal activation energy and nonlinearity-relevant coefficient, can be manipulated by varying the proportion of the nanoscale fillers. The numerical simulation shows that safe electric field distribution calls for certain parametric region of the thermal activation energy and nonlinearity-relevant coefficient. Outside the safe parametric region, local maximum of electric field strength around the stress cone appears in the termination insulator, enhancing the breakdown of the cable termination. In the presence of the temperature gradient, thermal activation energy and nonlinearity-relevant coefficient work as complementary factors to produce a reasonable electric field distribution. The field maximum in the termination insulator show complicate variation in the transient processes. The stationary field distribution favors the increase of the nonlinearity-relevant coefficient; for the transient field distribution in the process of negative lighting impulse, however, an optimized value of the nonlinearity-relevant coefficient is necessary to equalize the electric field in the termination.

Surface shear stress dependence of gas transfer velocity parameterizations using DNS

NASA Astrophysics Data System (ADS)

Fredriksson, S. T.; Arneborg, L.; Nilsson, H.; Handler, R. A.

2016-10-01

Air-water gas-exchange is studied in direct numerical simulations (DNS) of free-surface flows driven by natural convection and weak winds. The wind is modeled as a constant surface-shear-stress and the gas-transfer is modeled via a passive scalar. The simulations are characterized via a Richardson number Ri=Bν/u*4 where B, ν, and u* are the buoyancy flux, kinematic viscosity, and friction velocity respectively. The simulations comprise 0Ric or kg=AShearu*Sc-n, Ri

Intrinsic measures of field entropy in cosmological particle creation

NASA Astrophysics Data System (ADS)

Hu, B. L.; Pavon, D.

1986-11-01

Using the properties of quantum parametric oscillators, two quantities are identified which increase monotonically in time in the process of parametric amplification. The use of these quantities as possible measures of entropy generation in vacuum cosmological particle creation is suggested. These quantities which are of complementary nature are both related to the number of particles spontaneously created. Permanent address: Departamento de Termologia, Facultad de Ciencias, Universidad Autonoma de Barcelona, Ballaterra, Barcelona, Spain.

Parametric Adjustments to the Rankine Vortex Wind Model for Gulf of Mexico Hurricanes

DTIC Science & Technology

2012-11-01

2012 4. TITLE AND SUBTITLE Parametric Adjustments to the Rankine Vortex Wind Model for Gulf of Mexico Hurricanes 5a. CONTRACT NUMBER 5b. GRANT ...may be used to construct spatially varying wind fields for the GOM region (e.g., Thompson and Cardone [12]), but this requires using a complicated...Storm Damage Reduc- tion, and Dredging Operations and Environmental Research (DOER). The USACE Headquarters granted permission to publish this paper

Partitioning sources of uncertainty in projecting the impact of future climate extremes on site to regional ecosystem carbon cycling

NASA Astrophysics Data System (ADS)

Simkins, J.; Desai, A. R.; Cowdery, E.; Dietze, M.; Rollinson, C.

2016-12-01

The terrestrial biosphere assimilates nearly one fourth of anthropogenic carbon dioxide emissions, providing a significant ecosystem service. Anthropogenic climate changes that influence the distribution and frequency of weather extremes and can have a momentous impact on this useful function that ecosystems provide. However, most analyses of the impact of extreme events on ecosystem carbon uptake do not integrate across the wide range of structural, parametric, and driver uncertainty that needs to be taken into account to estimate probability of changes to ecosystem function under shifts in climate patterns. In order to improve ecosystem model forecasts, we integrated and estimated these sources of uncertainty using an open-sourced informatics workflow, the Predictive ECosystem Analyzer (PEcAn, http://pecanproject.org). PEcAn allows any researcher to parameterize and run multiple ecosystem models and automate extraction of meteorological forcing and estimation of its uncertainty. Trait databases and a uniform protocol for parameterizing and driving models were used to test parametric and structural uncertainty. In order to sample the uncertainty in future projected meteorological drivers, we developed automated extraction routines to acquire site-level three-hourly Coupled Model Intercomparison Project 5 (CMIP5) forcing data from the Geophysical Fluid Dynamics Laboratory general circulation models (CM3, ESM2M, and ESM2G) across the r1i1p1, r3i1p1 and r5i1p1 ensembles and AR5 emission scenarios. We also implemented a site-level high temporal resolution downscaling technique for these forcings calibrated against half-hourly eddy covariance flux tower observations. Our hypothesis claims that parametric and driver uncertainty dominate over the model structural uncertainty. In order to test this, we partition the uncertainty budget on the ChEAS regional network of towers in Northern Wisconsin, USA where each tower is located in forest and wetland ecosystems.

Parametric control in coupled fermionic oscillators

NASA Astrophysics Data System (ADS)

Ghosh, Arnab

2014-10-01

A simple model of parametric coupling between two fermionic oscillators is considered. Statistical properties, in particular the mean and variance of quanta for a single mode, are described by means of a time-dependent reduced density operator for the system and the associated P function. The density operator for fermionic fields as introduced by Cahill and Glauber [K. E. Cahill and R. J. Glauber, Phys. Rev. A 59, 1538 (1999), 10.1103/PhysRevA.59.1538] thus can be shown to provide a quantum mechanical description of the fields closely resembling their bosonic counterpart. In doing so, special emphasis is given to population trapping, and quantum control over the states of the system.

Parametric Study of Reactive Melt Infiltration

NASA Technical Reports Server (NTRS)

Nelson, Emily S.; Colella, Phillip

2000-01-01

Reactive melt infiltration is viewed as a promising means of achieving near-net shape manufacturing with quick processing time and at low cost. Since the reactants and products are, in general, of varying density, overall conservation of mass dictates that there is a force related to chemical conversion which can directly influence infiltration behavior. In effect, the driving pressure forces may compete with the forces from chemical conversion, affecting the advancement of the front. We have developed a two-dimensional numerical code to examine these effects, using reaction-formed silicon carbide as a model system for this process. We have examined a range of initial porosities, pore radii, and reaction rates in order to investigate their effects on infiltration dynamics.

Cosmological stochastic Higgs field stabilization

NASA Astrophysics Data System (ADS)

Gong, Jinn-Ouk; Kitajima, Naoya

2017-09-01

We show that the stochastic evolution of an interacting system of the Higgs field and a spectator scalar field naturally gives rise to an enhanced probability of settling down at the electroweak vacuum at the end of inflation. Subsequent destabilization due to parametric resonance between the Higgs field and the spectator field can be avoided in a wide parameter range. We further argue that the spectator field can play the role of dark matter.

Computation of noise radiation from turbofans: A parametric study

NASA Technical Reports Server (NTRS)

Nallasamy, M.

1995-01-01

This report presents the results of a parametric study of the turbofan far-field noise radiation using a finite element technique. Several turbofan noise radiation characteristics of both the inlet and the aft ducts have been examined through the finite element solutions. The predicted far-field principal lobe angle variations with duct Mach number and cut-off ratio compare very well with the available analytical results. The solutions also show that the far-field lobe angle is only a function of cut-off ratio, and nearly independent of the mode number. These results indicate that the finite element codes are well suited for the prediction of noise radiation characteristics of a turbofan. The effects of variations in the aft duct geometry are examined. The ability of the codes to handle ducts with acoustic treatments is also demonstrated.

Physics-based statistical model and simulation method of RF propagation in urban environments

DOEpatents

Pao, Hsueh-Yuan; Dvorak, Steven L.

2010-09-14

A physics-based statistical model and simulation/modeling method and system of electromagnetic wave propagation (wireless communication) in urban environments. In particular, the model is a computationally efficient close-formed parametric model of RF propagation in an urban environment which is extracted from a physics-based statistical wireless channel simulation method and system. The simulation divides the complex urban environment into a network of interconnected urban canyon waveguides which can be analyzed individually; calculates spectral coefficients of modal fields in the waveguides excited by the propagation using a database of statistical impedance boundary conditions which incorporates the complexity of building walls in the propagation model; determines statistical parameters of the calculated modal fields; and determines a parametric propagation model based on the statistical parameters of the calculated modal fields from which predictions of communications capability may be made.

Dynamics of entanglement of a three-level atom in motion interacting with two coupled modes including parametric down conversion

NASA Astrophysics Data System (ADS)

Faghihi, M. J.; Tavassoly, M. K.; Hatami, M.

In this paper, a model by which we study the interaction between a motional three-level atom and two-mode field injected simultaneously in a bichromatic cavity is considered; the three-level atom is assumed to be in a Λ-type configuration. As a result, the atom-field and the field-field interaction (parametric down conversion) will be appeared. It is shown that, by applying a canonical transformation, the introduced model can be reduced to a well-known form of the generalized Jaynes-Cummings model. Under particular initial conditions, which may be prepared for the atom and the field, the time evolution of state vector of the entire system is analytically evaluated. Then, the dynamics of atom by considering ‘atomic population inversion’ and two different measures of entanglement, i.e., ‘von Neumann entropy’ and ‘idempotency defect’ is discussed, in detail. It is deduced from the numerical results that, the duration and the maximum amount of the considered physical quantities can be suitably tuned by selecting the proper field-mode structure parameter p and the detuning parameters.

Modeling Laser-Plasma Interactions in a Magnetized Plasma

NASA Astrophysics Data System (ADS)

Los, Eva; Strozzi, D. J.; Chapman, T.; Farmer, W. A.; Cohen, B. I.

2017-10-01

We consider how laser-plasma interactions, namely stimulated Raman and Brillouin scattering, develop in the presence of a background magnetic field. Externally-launched waves in magnetized plasma have been studied in magnetic fusion devices for several decades, with relatively little work on their parametric decay. The topic has received scant attention in the laser-plasma and high-energy-density fields, but is becoming timely. The MagLIF pulsed-power scheme relies on an imposed axial field and laser-preheat [S. Slutz et al., Phys. Rev. Lett. 2012]. Imposing a field on a hohlraum to reduce hotspot losses has also been proposed [L. J. Perkins et al., Phys. Plasmas 2013]. We consider how the field affects the linear light waves in a plasma, e.g. by decoupling the left- and right- circular polarizations (Faraday rotation). Parametric instability growth rates are presented, as functions of plasma conditions, field strength, and geometry. The scattered-light spectrum, which is routinely measured, is also found. Work performed under auspices of US DoE by LLNL under Contract DE-AC52-07NA27344.

Neural network-based position synchronised internal force control scheme for cooperative manipulator system

NASA Astrophysics Data System (ADS)

Wang, Jin; Xu, Fan; Lu, GuoDong

2017-09-01

More complex problems of simultaneous position and internal force control occur with cooperative manipulator systems than that of a single one. In the presence of unwanted parametric and modelling uncertainties as well as external disturbances, a decentralised position synchronised force control scheme is proposed. With a feedforward neural network estimating engine, a precise model of the system dynamics is not required. Unlike conventional cooperative or synchronised controllers, virtual position and virtual synchronisation errors are introduced for internal force tracking control and task space position synchronisation. Meanwhile joint space synchronisation and force measurement are unnecessary. Together with simulation studies and analysis, the position and the internal force errors are shown to asymptotically converge to zero. Moreover, the controller exhibits different characteristics with selected synchronisation factors. Under certain settings, it can deal with temporary cooperation by an intelligent retreat mechanism, where less internal force would occur and rigid collision can be avoided. Using a Lyapunov stability approach, the controller is proven to be robust in face of the aforementioned uncertainties.

Observational Signatures of Parametric Instability at 1AU

NASA Astrophysics Data System (ADS)

Bowen, T. A.; Bale, S. D.; Badman, S.

2017-12-01

Observations and simulations of inertial compressive turbulence in the solar wind are characterized by density structures anti-correlated with magnetic fluctuations parallel to the mean field. This signature has been interpreted as observational evidence for non-propagating pressure balanced structures (PBS), kinetic ion acoustic waves, as well as the MHD slow mode. Recent work, specifically Verscharen et al. (2017), has highlighted the unexpected fluid like nature of the solar wind. Given the high damping rates of parallel propagating compressive fluctuations, their ubiquity in satellite observations is surprising and suggests the presence of a driving process. One possible candidate for the generation of compressive fluctuations in the solar wind is the parametric instability, in which large amplitude Alfvenic fluctuations decay into parallel propagating compressive waves. This work employs 10 years of WIND observations in order to test the parametric decay process as a source of compressive waves in the solar wind through comparing collisionless damping rates of compressive fluctuations with growth rates of the parametric instability. Preliminary results suggest that generation of compressive waves through parametric decay is overdamped at 1 AU. However, the higher parametric decay rates expected in the inner heliosphere likely allow for growth of the slow mode-the remnants of which could explain density fluctuations observed at 1AU.

Parametric system identification of catamaran for improving controller design

NASA Astrophysics Data System (ADS)

Timpitak, Surasak; Prempraneerach, Pradya; Pengwang, Eakkachai

2018-01-01

This paper presents an estimation of simplified dynamic model for only surge- and yaw- motions of catamaran by using system identification (SI) techniques to determine associated unknown parameters. These methods will enhance the performance of designing processes for the motion control system of Unmanned Surface Vehicle (USV). The simulation results demonstrate an effective way to solve for damping forces and to determine added masses by applying least-square and AutoRegressive Exogenous (ARX) methods. Both methods are then evaluated according to estimated parametric errors from the vehicle’s dynamic model. The ARX method, which yields better estimated accuracy, can then be applied to identify unknown parameters as well as to help improving a controller design of a real unmanned catamaran.

Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients

NASA Astrophysics Data System (ADS)

Anderson, Richard L.; Bray, David J.; Ferrante, Andrea S.; Noro, Massimo G.; Stott, Ian P.; Warren, Patrick B.

2017-09-01

We present a systematic, top-down, thermodynamic parametrization scheme for dissipative particle dynamics (DPD) using water-octanol partition coefficients, supplemented by water-octanol phase equilibria and pure liquid phase density data. We demonstrate the feasibility of computing the required partition coefficients in DPD using brute-force simulation, within an adaptive semi-automatic staged optimization scheme. We test the methodology by fitting to experimental partition coefficient data for twenty one small molecules in five classes comprising alcohols and poly-alcohols, amines, ethers and simple aromatics, and alkanes (i.e., hexane). Finally, we illustrate the transferability of a subset of the determined parameters by calculating the critical micelle concentrations and mean aggregation numbers of selected alkyl ethoxylate surfactants, in good agreement with reported experimental values.

A parametric experimental investigation of a scramjet nozzle at Mach 6 with Freon and argon or air used for exhaust simulation

NASA Technical Reports Server (NTRS)

Cubbage, James M.; Monta, William J.

1991-01-01

A parametric experimental investigation of a scramjet nozzle was conducted with a gas mixture used to simulate the scramjet engine exhaust flow at a free-stream Reynolds number of approximately 6.5 x 10(exp 6) per foot. External nozzle surface angles of 16, 20, and 24 deg were tested with a fixed-length ramp and for cowl internal surface angles of 6 and 12 deg. Pressure data on the external nozzle surface were obtained for mixtures of Freon and argon gases with a ratio of specific heats of about 1.23, which matches that of a scramjet exhaust. Forces and moments were determined by integration of the pressure data. Two nozzle configurations were also tested with air used to simulate the exhaust flow. On the external nozzle surface, lift and thrust forces for air exhaust simulation were approximately half of those for Freon-argon exhaust simulation and the pitching moment was approximately a third. These differences were primarily due to the difference in the ratios of specific heats between the two exhaust simulation gases. A 20 deg external surface angle produced the greatest thrust for a 6 deg cowl internal surface angle. A flow fence significantly increased lift and thrust forces over those for the nozzle without a flow fence.

Dynamic stability of spinning pretwisted beams subjected to axial random forces

NASA Astrophysics Data System (ADS)

Young, T. H.; Gau, C. Y.

2003-11-01

This paper studies the dynamic stability of a pretwisted cantilever beam spinning along its longitudinal axis and subjected to an axial random force at the free end. The axial force is assumed as the sum of a constant force and a random process with a zero mean. Due to this axial force, the beam may experience parametric random instability. In this work, the finite element method is first applied to yield discretized system equations. The stochastic averaging method is then adopted to obtain Ito's equations for the response amplitudes of the system. Finally the mean-square stability criterion is utilized to determine the stability condition of the system. Numerical results show that the stability boundary of the system converges as the first three modes are taken into calculation. Before the convergence is reached, the stability condition predicted is not conservative enough.

Magnetically Induced Vibration in an 8-Pole, 9-Slot Brushless DC Motor

NASA Astrophysics Data System (ADS)

Chuang, Thomas Y.; Lieu, Dennis K.

A parametric study was conducted to determine the effect of motor geometry on the force imbalance in an 8-pole/9-slot motor. The study is based on a quasi-static finite element analysis in which the force calculations were made by integrating the Maxwell stresses along the center of the airgap. For small variations from the base motor geometry, the study revealed the following trends. The magnitude of the force imbalance decreases as the slot width decreases. The imbalance also decreases as the airgap length increases. A rotor/stator eccentricity introduces a constant force imbalance which increases proportionally to, and in the direction of, the eccentricity. As the size of the motor is scaled up uniformly, the mass increases faster than the imbalance. The results suggest that the force imbalance is caused predominantly by the stress concentrations at the corners of the stator teeth.

Realization of the Einstein-Podolsky-Rosen paradox using momentum- and position-entangled photons from spontaneous parametric down conversion.

PubMed

Howell, John C; Bennink, Ryan S; Bentley, Sean J; Boyd, R W

2004-05-28

We report on a momentum-position realization of the EPR paradox using direct detection in the near and far fields of the photons emitted by collinear type-II phase-matched parametric down conversion. Using this approach we achieved a measured two-photon momentum-position variance product of 0.01 variant Planck's over 2pi (2), which dramatically violates the bounds for the EPR and separability criteria.

High Impact Technology Compact Combustion (HITCC) Compact Core Technologies

DTIC Science & Technology

2016-01-01

3 2.1 Studies on the Effects of Centrifugal Force on the Performance of a High-G...characterize the performance of combustion systems. Fundamental flame studies provide insights into fluid mechanic and chemistry effects within...which capture fluid mechanic effects . Parametric studies are used to explore new design space and improve experiments. The third aspect of meeting the

Autorotation motions of a turbine coursed by the Magnus effect

NASA Astrophysics Data System (ADS)

Ishkhanyan, M. V.; Klimina, L. A.; Privalova, O. G.

2018-05-01

The motion of the turbine in the flow is studied. Each blade of the main turbine is represented by a Savonius rotor. Self-induced rotation of Savonius rotors produces the Magnus force that courses the rotation of the main turbine. Existence and stability of the self-induced rotation are discussed. Parametrical analysis is carried out.

Two-dimensional time dependent hurricane overwash and erosion modeling at Santa Rosa Island

USGS Publications Warehouse

McCall, R.T.; Van Theil de Vries, J. S. M.; Plant, N.G.; Van Dongeren, A. R.; Roelvink, J.A.; Thompson, D.M.; Reniers, A.J.H.M.

2010-01-01

A 2DH numerical, model which is capable of computing nearshore circulation and morphodynamics, including dune erosion, breaching and overwash, is used to simulate overwash caused by Hurricane Ivan (2004) on a barrier island. The model is forced using parametric wave and surge time series based on field data and large-scale numerical model results. The model predicted beach face and dune erosion reasonably well as well as the development of washover fans. Furthermore, the model demonstrated considerable quantitative skill (upwards of 66% of variance explained, maximum bias - 0.21 m) in hindcasting the post-storm shape and elevation of the subaerial barrier island when a sheet flow sediment transport limiter was applied. The prediction skill ranged between 0.66 and 0.77 in a series of sensitivity tests in which several hydraulic forcing parameters were varied. The sensitivity studies showed that the variations in the incident wave height and wave period affected the entire simulated island morphology while variations in the surge level gradient between the ocean and back barrier bay affected the amount of deposition on the back barrier and in the back barrier bay. The model sensitivity to the sheet flow sediment transport limiter, which served as a proxy for unknown factors controlling the resistance to erosion, was significantly greater than the sensitivity to the hydraulic forcing parameters. If no limiter was applied the simulated morphological response of the barrier island was an order of magnitude greater than the measured morphological response.

Unconstrained Structure Formation in Coarse-Grained Protein Simulations

NASA Astrophysics Data System (ADS)

Bereau, Tristan

The ability of proteins to fold into well-defined structures forms the basis of a wide variety of biochemical functions in and out of the cell membrane. Many of these processes, however, operate at time- and length-scales that are currently unattainable by all-atom computer simulations. To cope with this difficulty, increasingly more accurate and sophisticated coarse-grained models are currently being developed. In the present thesis, we introduce a solvent-free coarse-grained model for proteins. Proteins are modeled by four beads per amino acid, providing enough backbone resolution to allow for accurate sampling of local conformations. It relies on simple interactions that emphasize structure, such as hydrogen bonds and hydrophobicity. Realistic alpha/beta content is achieved by including an effective nearest-neighbor dipolar interaction. Parameters are tuned to reproduce both local conformations and tertiary structures. By studying both helical and extended conformations we make sure the force field is not biased towards any particular secondary structure. Without any further adjustments or bias a realistic oligopeptide aggregation scenario is observed. The model is subsequently applied to various biophysical problems: (i) kinetics of folding of two model peptides, (ii) large-scale amyloid-beta oligomerization, and (iii) protein folding cooperativity. The last topic---defined by the nature of the finite-size thermodynamic transition exhibited upon folding---was investigated from a microcanonical perspective: the accurate evaluation of the density of states can unambiguously characterize the nature of the transition, unlike its corresponding canonical analysis. Extending the results of lattice simulations and theoretical models, we find that it is the interplay between secondary structure and the loss of non-native tertiary contacts which determines the nature of the transition. Finally, we combine the peptide model with a high-resolution, solvent-free, lipid model. The lipid force field was systematically tuned to reproduce the structural and mechanical properties of phosphatidylcholine bilayers. The two models were cross-parametrized against atomistic potential of mean force curves for the insertion of single amino acid side chains into a bilayer. Coarse-grained transmembrane protein simulations were then compared with experiments and atomistic simulations to validate the force field. The transferability of the two models across amino acid sequences and lipid species permits the investigation of a wide variety of scenarios, while the absence of explicit solvent allows for studies of large-scale phenomena.

Non-parametric directionality analysis - Extension for removal of a single common predictor and application to time series.

PubMed

Halliday, David M; Senik, Mohd Harizal; Stevenson, Carl W; Mason, Rob

2016-08-01

The ability to infer network structure from multivariate neuronal signals is central to computational neuroscience. Directed network analyses typically use parametric approaches based on auto-regressive (AR) models, where networks are constructed from estimates of AR model parameters. However, the validity of using low order AR models for neurophysiological signals has been questioned. A recent article introduced a non-parametric approach to estimate directionality in bivariate data, non-parametric approaches are free from concerns over model validity. We extend the non-parametric framework to include measures of directed conditional independence, using scalar measures that decompose the overall partial correlation coefficient summatively by direction, and a set of functions that decompose the partial coherence summatively by direction. A time domain partial correlation function allows both time and frequency views of the data to be constructed. The conditional independence estimates are conditioned on a single predictor. The framework is applied to simulated cortical neuron networks and mixtures of Gaussian time series data with known interactions. It is applied to experimental data consisting of local field potential recordings from bilateral hippocampus in anaesthetised rats. The framework offers a non-parametric approach to estimation of directed interactions in multivariate neuronal recordings, and increased flexibility in dealing with both spike train and time series data. The framework offers a novel alternative non-parametric approach to estimate directed interactions in multivariate neuronal recordings, and is applicable to spike train and time series data. Copyright © 2016 Elsevier B.V. All rights reserved.

Obtaining Thickness-Limited Electrospray Deposition for 3D Coating.

PubMed

Lei, Lin; Kovacevich, Dylan A; Nitzsche, Michael P; Ryu, Jihyun; Al-Marzoki, Kutaiba; Rodriguez, Gabriela; Klein, Lisa C; Jitianu, Andrei; Singer, Jonathan P

2018-04-04

Electrospray processing utilizes the balance of electrostatic forces and surface tension within a charged spray to produce charged microdroplets with a narrow dispersion in size. In electrospray deposition, each droplet carries a small quantity of suspended material to a target substrate. Past electrospray deposition results fall into two major categories: (1) continuous spray of films onto conducting substrates and (2) spray of isolated droplets onto insulating substrates. A crossover regime, or a self-limited spray, has only been limitedly observed in the spray of insulating materials onto conductive substrates. In such sprays, a limiting thickness emerges, where the accumulation of charge repels further spray. In this study, we examined the parametric spray of several glassy polymers to both categorize past electrospray deposition results and uncover the critical parameters for thickness-limited sprays. The key parameters for determining the limiting thickness were (1) field strength and (2) spray temperature, related to (i) the necessary repulsive field and (ii) the ability for the deposited materials to swell in the carrier solvent vapor and redistribute charge. These control mechanisms can be applied to the uniform or controllably-varied microscale coating of complex three-dimensional objects.

Conformational Order in Aggregates of Conjugated Polymers

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

Jackson, Nicholas E.; Kohlstedt, Kevin L.; Savoie, Brett M.

With the abundant variety and increasing chemical complexity of conjugated poly-friers proliferating the field of organic semiconductors, it has become increasingly important to correlate the polymer molecular structure with its mesoscale conformational and morphological attributes. For instance, it is unknown which combinations of chemical moieties and periodicities predictably produce mesoscale ordering. Interestingly) not all ordered morphologies result in efficient devices. In this work we have parametrized accurate classical force-fields and used these to compute the conformational and aggregation characteristics of single strands of common conjugated polymers. Molecular dynamics trajectories are shown to reproduce experimentally observed polymeric ordering, concluding that efficientmore » organic photovoltaic devices span a range of polymer conformational classes, and suggesting that the solution-phase morphologies have far-reaching effects. Encouragingly, these simulations indicate that despite the wide-range of conformational classes present in successful devices, local molecular ordering, and not long-range crystallinity, appears to be the necessary requirement for efficient devices. Finally, we examine what makes a "good" solvent for conjugated polymers, concluding that dispersive pi-electron solvent-polymer interactions, and not the electrostatic potential of the backbone interacting with the solvent, are what primarily determine a polymer's solubility in a particular solvent, and consequently its morphological characteristics.« less

Numerical investigations of non-collinear optical parametric chirped pulse amplification for Laguerre-Gaussian vortex beam

NASA Astrophysics Data System (ADS)

Xu, Lu; Yu, Lianghong; Liang, Xiaoyan

2016-04-01

We present for the first time a scheme to amplify a Laguerre-Gaussian vortex beam based on non-collinear optical parametric chirped pulse amplification (OPCPA). In addition, a three-dimensional numerical model of non-collinear optical parametric amplification was deduced in the frequency domain, in which the effects of non-collinear configuration, temporal and spatial walk-off, group-velocity dispersion and diffraction were also taken into account, to trace the dynamics of the Laguerre-Gaussian vortex beam and investigate its critical parameters in the non-collinear OPCPA process. Based on the numerical simulation results, the scheme shows promise for implementation in a relativistic twisted laser pulse system, which will diversify the light-matter interaction field.

Frustration of resonant preheating by exotic kinetic terms

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

Rahmati, Shohreh; Seahra, Sanjeev S., E-mail: srahmati@unb.ca, E-mail: sseahra@unb.ca

2014-10-01

We study the effects of exotic kinetic terms on parametric resonance during the preheating epoch of the early universe. Specifically, we consider modifications to the action of ordinary matter fields motivated by generalized uncertainty principles, polymer quantization, as well as Dirac-Born-Infeld and k-essence models. To leading order in an ''exotic physics'' scale, the equations of motion derived from each of these models have the same algebraic form involving a nonlinear self-interaction in the matter sector. Neglecting spatial dependence, we show that the nonlinearity effectively shuts down the parametric resonance after a finite time period. We find numeric evidence that themore » frustration of parametric resonance persists to spatially inhomogenous matter in (1+1)-dimensions.« less

Parametric decay of oblique Alfvén waves in two-dimensional hybrid simulations.

PubMed

Verscharen, D; Marsch, E; Motschmann, U; Müller, J

2012-08-01

Certain types of plasma waves are known to become parametrically unstable under specific plasma conditions, in which the pump wave will decay into several daughter waves with different wavenumbers and frequencies. In the past, the related plasma instabilities have been treated analytically for various parameter regimes and by use of various numerical methods, yet the oblique propagation with respect to the background magnetic field has rarely been dealt with in two dimensions, mainly because of the high computational demand. Here we present a hybrid-simulation study of the parametric decay of a moderately oblique Alfvén wave having elliptical polarization. It is found that such a compressive wave can decay into waves with higher and lower wavenumbers than the pump.

Multiresolution and Explicit Methods for Vector Field Analysis and Visualization

NASA Technical Reports Server (NTRS)

1996-01-01

We first report on our current progress in the area of explicit methods for tangent curve computation. The basic idea of this method is to decompose the domain into a collection of triangles (or tetrahedra) and assume linear variation of the vector field over each cell. With this assumption, the equations which define a tangent curve become a system of linear, constant coefficient ODE's which can be solved explicitly. There are five different representation of the solution depending on the eigenvalues of the Jacobian. The analysis of these five cases is somewhat similar to the phase plane analysis often associate with critical point classification within the context of topological methods, but it is not exactly the same. There are some critical differences. Moving from one cell to the next as a tangent curve is tracked, requires the computation of the exit point which is an intersection of the solution of the constant coefficient ODE and the edge of a triangle. There are two possible approaches to this root computation problem. We can express the tangent curve into parametric form and substitute into an implicit form for the edge or we can express the edge in parametric form and substitute in an implicit form of the tangent curve. Normally the solution of a system of ODE's is given in parametric form and so the first approach is the most accessible and straightforward. The second approach requires the 'implicitization' of these parametric curves. The implicitization of parametric curves can often be rather difficult, but in this case we have been successful and have been able to develop algorithms and subsequent computer programs for both approaches. We will give these details along with some comparisons in a forthcoming research paper on this topic.

Cooling an Optically Trapped Ultracold Fermi Gas by Periodical Driving.

PubMed

Li, Jiaming; de Melo, Leonardo F; Luo, Le

2017-03-30

We present a cooling method for a cold Fermi gas by parametrically driving atomic motions in a crossed-beam optical dipole trap (ODT). Our method employs the anharmonicity of the ODT, in which the hotter atoms at the edge of the trap feel the anharmonic components of the trapping potential, while the colder atoms in the center of the trap feel the harmonic one. By modulating the trap depth with frequencies that are resonant with the anharmonic components, we selectively excite the hotter atoms out of the trap while keeping the colder atoms in the trap, generating parametric cooling. This experimental protocol starts with a magneto-optical trap (MOT) that is loaded by a Zeeman slower. The precooled atoms in the MOT are then transferred to an ODT, and a bias magnetic field is applied to create an interacting Fermi gas. We then lower the trapping potential to prepare a cold Fermi gas near the degenerate temperature. After that, we sweep the magnetic field to the noninteracting regime of the Fermi gas, in which the parametric cooling can be manifested by modulating the intensity of the optical trapping beams. We find that the parametric cooling effect strongly depends on the modulation frequencies and amplitudes. With the optimized frequency and amplitude, we measure the dependence of the cloud energy on the modulation time. We observe that the cloud energy is changed in an anisotropic way, where the energy of the axial direction is significantly reduced by parametric driving. The cooling effect is limited to the axial direction because the dominant anharmonicity of the crossed-beam ODT is along the axial direction. Finally, we propose to extend this protocol for the trapping potentials of large anharmonicity in all directions, which provides a promising scheme for cooling quantum gases using external driving.

Dynamics of multiple double layers in high pressure glow discharge in a simple torus

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

Kumar Paul, Manash, E-mail: manashkr@gmail.com; Sharma, P. K.; Thakur, A.

2014-06-15

Parametric characterization of multiple double layers is done during high pressure glow discharge in a toroidal vessel of small aspect ratio. Although glow discharge (without magnetic field) is known to be independent of device geometry, but the toroidal boundary conditions are conducive to plasma growth and eventually the plasma occupy the toroidal volume partially. At higher anode potential, the visibly glowing spots on the body of spatially extended anode transform into multiple intensely luminous spherical plasma blob structures attached to the tip of the positive electrode. Dynamics of multiple double layers are observed in argon glow discharge plasma in presencemore » of toroidal magnetic field. The radial profiles of plasma parameters measured at various toroidal locations show signatures of double layer formation in our system. Parametric dependence of double layer dynamics in presence of toroidal magnetic field is presented here.« less

Application of relativistic mean field and effective field theory densities to scattering observables for Ca isotopes

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

Bhuyan, M.; School of Physics, Sambalpur University, Jyotivihar, Burla 768 019; Panda, R. N.

In the framework of relativistic mean field (RMF) theory, we have calculated the density distribution of protons and neutrons for {sup 40,42,44,48}Ca with NL3 and G2 parameter sets. The microscopic proton-nucleus optical potentials for p+{sup 40,42,44,48}Ca systems are evaluated from the Dirac nucleon-nucleon scattering amplitude and the density of the target nucleus using relativistic-Love-Franey and McNeil-Ray-Wallace parametrizations. We have estimated the scattering observables, such as the elastic differential scattering cross section, analyzing power and the spin observables with the relativistic impulse approximation (RIA). The results have been compared with the experimental data for a few selective cases and we findmore » that the use of density as well as the scattering matrix parametrizations are crucial for the theoretical prediction.« less

Dense motion estimation using regularization constraints on local parametric models.

PubMed

Patras, Ioannis; Worring, Marcel; van den Boomgaard, Rein

2004-11-01

This paper presents a method for dense optical flow estimation in which the motion field within patches that result from an initial intensity segmentation is parametrized with models of different order. We propose a novel formulation which introduces regularization constraints between the model parameters of neighboring patches. In this way, we provide the additional constraints for very small patches and for patches whose intensity variation cannot sufficiently constrain the estimation of their motion parameters. In order to preserve motion discontinuities, we use robust functions as a regularization mean. We adopt a three-frame approach and control the balance between the backward and forward constraints by a real-valued direction field on which regularization constraints are applied. An iterative deterministic relaxation method is employed in order to solve the corresponding optimization problem. Experimental results show that the proposed method deals successfully with motions large in magnitude, motion discontinuities, and produces accurate piecewise-smooth motion fields.

A Review of Some Superconducting Technologies for AtLAST: Parametric Amplifiers, Kinetic Inductance Detectors, and On-Chip Spectrometers

NASA Astrophysics Data System (ADS)

Noroozian, Omid

2018-01-01

The current state of the art for some superconducting technologies will be reviewed in the context of a future single-dish submillimeter telescope called AtLAST. The technologies reviews include: 1) Kinetic Inductance Detectors (KIDs), which have now been demonstrated in large-format kilo-pixel arrays with photon background-limited sensitivity suitable for large field of view cameras for wide-field imaging. 2) Parametric amplifiers - specifically the Traveling-Wave Kinetic Inductance (TKIP) amplifier - which has enormous potential to increase sensitivity, bandwidth, and mapping speed of heterodyne receivers, and 3) On-chip spectrometers, which combined with sensitive direct detectors such as KIDs or TESs could be used as Multi-Object Spectrometers on the AtLAST focal plane, and could provide low-medium resolution spectroscopy of 100 objects at a time in each field of view.

Sound transmission analysis of partially treated MR fluid-based sandwich panels using finite element method

NASA Astrophysics Data System (ADS)

Hemmatian, M.; Sedaghati, R.

2017-04-01

This study aims at developing a finite element model to predict the sound transmission loss (STL) of a multilayer panel partially treated with a Magnetorheological (MR) fluid core layer. MR fluids are smart materials with promising controllable rheological characteristics in which the application of an external magnetic field instantly changes their rheological properties. Partial treatment of sandwich panels with MR fluid core layer provides an opportunity to change stiffness and damping of the structure without significantly increasing the mass. The STL of a finite sandwich panel partially treated with MR fluid is modeled using the finite element (FE) method. Circular sandwich panels with clamped boundary condition and elastic face sheets in which the core layer is segmented circumferentially is considered. The MR fluid core layer is considered as a viscoelastic material with complex shear modulus with the magnetic field and frequency dependent storage and loss moduli. Neglecting the effect of the panel's vibration on the pressure forcing function, the work done by the acoustic pressure is expressed as a function of the blocked pressure in order to calculate the force vector in the equation of the motion of the panel. The governing finite element equation of motion of the MR sandwich panel is then developed to predict the transverse vibration of the panel which can then be utilized to obtain the radiated sound using Green's function. The developed model is used to conduct a systematic parametric study on the effect of different locations of MR fluid treatment on the natural frequencies and the STL.

General molecular mechanics method for transition metal carboxylates and its application to the multiple coordination modes in mono- and dinuclear Mn(II) complexes.

PubMed

Deeth, Robert J

2008-08-04

A general molecular mechanics method is presented for modeling the symmetric bidentate, asymmetric bidentate, and bridging modes of metal-carboxylates with a single parameter set by using a double-minimum M-O-C angle-bending potential. The method is implemented within the Molecular Operating Environment (MOE) with parameters based on the Merck molecular force field although, with suitable modifications, other MM packages and force fields could easily be used. Parameters for high-spin d (5) manganese(II) bound to carboxylate and water plus amine, pyridyl, imidazolyl, and pyrazolyl donors are developed based on 26 mononuclear and 29 dinuclear crystallographically characterized complexes. The average rmsd for Mn-L distances is 0.08 A, which is comparable to the experimental uncertainty required to cover multiple binding modes, and the average rmsd in heavy atom positions is around 0.5 A. In all cases, whatever binding mode is reported is also computed to be a stable local minimum. In addition, the structure-based parametrization implicitly captures the energetics and gives the same relative energies of symmetric and asymmetric coordination modes as density functional theory calculations in model and "real" complexes. Molecular dynamics simulations show that carboxylate rotation is favored over "flipping" while a stochastic search algorithm is described for randomly searching conformational space. The model reproduces Mn-Mn distances in dinuclear systems especially accurately, and this feature is employed to illustrate how MM calculations on models for the dimanganese active site of methionine aminopeptidase can help determine some of the details which may be missing from the experimental structure.

A Hybrid Wind-Farm Parametrization for Mesoscale and Climate Models

NASA Astrophysics Data System (ADS)

Pan, Yang; Archer, Cristina L.

2018-04-01

To better understand the potential impact of wind farms on weather and climate at the regional to global scales, a new hybrid wind-farm parametrization is proposed for mesoscale and climate models. The proposed parametrization is a hybrid model because it is not based on physical processes or conservation laws, but on the multiple linear regression of the results of large-eddy simulations (LES) with the geometric properties of the wind-farm layout (e.g., the blockage ratio and blockage distance). The innovative aspect is that each wind turbine is treated individually based on its position in the farm and on the wind direction by predicting the velocity upstream of each turbine. The turbine-induced forces and added turbulence kinetic energy (TKE) are first derived analytically and then implemented in the Weather Research and Forecasting model. Idealized simulations of the offshore Lillgrund wind farm are conducted. The wind-speed deficit and TKE predicted with the hybrid model are in excellent agreement with those from the LES results, while the wind-power production estimated with the hybrid model is within 10% of that observed. Three additional wind farms with larger inter-turbine spacing than at Lillgrund are also considered, and a similar agreement with LES results is found, proving that the hybrid parametrization works well with any wind farm regardless of the spacing between turbines. These results indicate the wind-turbine position, wind direction, and added TKE are essential in accounting for the wind-farm effects on the surroundings, for which the hybrid wind-farm parametrization is a promising tool.

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

Experimental investigation of flow characteristics around four square-cylinder arrays at subcritical Reynolds numbers

NASA Astrophysics Data System (ADS)

Liu, Mingyue; Xiao, Longfei; Yang, Lijun

2015-09-01

The Deep Draft Semi-Submersible (DDS) concepts are known for their favourable vertical motion performance. However, the DDS may experience critical Vortex-Induced Motion (VIM) stemming from the fluctuating forces on the columns. In order to investigate the current-induced excitation forces of VIM, an experimental study of flow characteristics around four square-section cylinders in a square configuration is presented. A number of column spacing ratios and array attack angles were considered to investigate the parametric influences. The results comprise flow patterns, drag and lift forces, as well as Strouhal numbers. It is shown that both the drag and lift forces acting on the cylinders are slightly different between the various L/D values, and the fluctuating forces peak at L/D = 4.14. The lift force of downstream cylinders reaches its maximum at around α = 15°. Furthermore, the flow around circular-section-cylinder arrays is also discussed in comparison with that of square cylinders.

NASA Air Force Cost Model (NAFCOM): Capabilities and Results

NASA Technical Reports Server (NTRS)

McAfee, Julie; Culver, George; Naderi, Mahmoud

2011-01-01

NAFCOM is a parametric estimating tool for space hardware. Uses cost estimating relationships (CERs) which correlate historical costs to mission characteristics to predict new project costs. It is based on historical NASA and Air Force space projects. It is intended to be used in the very early phases of a development project. NAFCOM can be used at the subsystem or component levels and estimates development and production costs. NAFCOM is applicable to various types of missions (crewed spacecraft, uncrewed spacecraft, and launch vehicles). There are two versions of the model: a government version that is restricted and a contractor releasable version.

Running of the spectrum of cosmological perturbations in string gas cosmology

NASA Astrophysics Data System (ADS)

Brandenberger, Robert; Franzmann, Guilherme; Liang, Qiuyue

2017-12-01

We compute the running of the spectrum of cosmological perturbations in string gas cosmology, making use of a smooth parametrization of the transition between the early Hagedorn phase and the later radiation phase. We find that the running has the same sign as in simple models of single scalar field inflation. Its magnitude is proportional to (1 -ns) (ns being the slope index of the spectrum), and it is thus parametrically larger than for inflationary cosmology, where it is proportional to (1 -ns)2 .

An algorithm for full parametric solution of problems on the statics of orthotropic plates by the method of boundary states with perturbations

NASA Astrophysics Data System (ADS)

Penkov, V. B.; Ivanychev, D. A.; Novikova, O. S.; Levina, L. V.

2018-03-01

The article substantiates the possibility of building full parametric analytical solutions of mathematical physics problems in arbitrary regions by means of computer systems. The suggested effective means for such solutions is the method of boundary states with perturbations, which aptly incorporates all parameters of an orthotropic medium in a general solution. We performed check calculations of elastic fields of an anisotropic rectangular region (test and calculation problems) for a generalized plane stress state.

Current-driven non-linear magnetodynamics in exchange-biased spin valves

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

Seinige, Heidi; Wang, Cheng; Tsoi, Maxim, E-mail: tsoi@physics.utexas.edu

2015-05-07

This work investigates the excitation of parametric resonance in exchange-biased spin valves (EBSVs). Using a mechanical point contact, high density dc and microwave currents were injected into the EBSV sample. Observing the reflected microwave power and the small rectification voltage that develops across the contact allows detecting the current-driven magnetodynamics not only in the bulk sample but originating exclusively from the small contact region. In addition to ferromagnetic resonance (FMR), parametric resonance at twice the natural FMR frequency was observed. In contrast to FMR, this non-linear resonance was excited only in the vicinity of the point contact where current densitiesmore » are high. Power-dependent measurements displayed a typical threshold-like behavior of parametric resonance and a broadening of the instability region with increasing power. Parametric resonance showed a linear shift as a function of applied dc bias which is consistent with the field-like spin-transfer torque induced by current on magnetic moments in EBSV.« less

Improved hydrological model parametrization for climate change impact assessment under data scarcity - The potential of field monitoring techniques and geostatistics.

PubMed

Meyer, Swen; Blaschek, Michael; Duttmann, Rainer; Ludwig, Ralf

2016-02-01

According to current climate projections, Mediterranean countries are at high risk for an even pronounced susceptibility to changes in the hydrological budget and extremes. These changes are expected to have severe direct impacts on the management of water resources, agricultural productivity and drinking water supply. Current projections of future hydrological change, based on regional climate model results and subsequent hydrological modeling schemes, are very uncertain and poorly validated. The Rio Mannu di San Sperate Basin, located in Sardinia, Italy, is one test site of the CLIMB project. The Water Simulation Model (WaSiM) was set up to model current and future hydrological conditions. The availability of measured meteorological and hydrological data is poor as it is common for many Mediterranean catchments. In this study we conducted a soil sampling campaign in the Rio Mannu catchment. We tested different deterministic and hybrid geostatistical interpolation methods on soil textures and tested the performance of the applied models. We calculated a new soil texture map based on the best prediction method. The soil model in WaSiM was set up with the improved new soil information. The simulation results were compared to standard soil parametrization. WaSiMs was validated with spatial evapotranspiration rates using the triangle method (Jiang and Islam, 1999). WaSiM was driven with the meteorological forcing taken from 4 different ENSEMBLES climate projections for a reference (1971-2000) and a future (2041-2070) times series. The climate change impact was assessed based on differences between reference and future time series. The simulated results show a reduction of all hydrological quantities in the future in the spring season. Furthermore simulation results reveal an earlier onset of dry conditions in the catchment. We show that a solid soil model setup based on short-term field measurements can improve long-term modeling results, which is especially important in ungauged catchments. Copyright © 2015 Elsevier B.V. All rights reserved.

Parametric survey of longitudinal prominence oscillation simulations

NASA Astrophysics Data System (ADS)

Zhang, Q. M.; Chen, P. F.; Xia, C.; Keppens, R.; Ji, H. S.

2013-06-01

Context. Longitudinal filament oscillations recently attracted increasing attention, while the restoring force and the damping mechanisms are still elusive. Aims: We intend to investigate the underlying physics for coherent longitudinal oscillations of the entire filament body, including their triggering mechanism, dominant restoring force, and damping mechanisms. Methods: With the MPI-AMRVAC code, we carried out radiative hydrodynamic numerical simulations of the longitudinal prominence oscillations. We modeled two types of perturbations of the prominence, impulsive heating at one leg of the loop and an impulsive momentum deposition, which cause the prominence to oscillate. We studied the resulting oscillations for a large parameter scan, including the chromospheric heating duration, initial velocity of the prominence, and field line geometry. Results: We found that both microflare-sized impulsive heating at one leg of the loop and a suddenly imposed velocity perturbation can propel the prominence to oscillate along the magnetic dip. Our extensive parameter survey resulted in a scaling law that shows that the period of the oscillation, which weakly depends on the length and height of the prominence and on the amplitude of the perturbations, scales with √R/g⊙, where R represents the curvature radius of the dip, and g⊙ is the gravitational acceleration of the Sun. This is consistent with the linear theory of a pendulum, which implies that the field-aligned component of gravity is the main restoring force for the prominence longitudinal oscillations, as confirmed by the force analysis. However, the gas pressure gradient becomes significant for short prominences. The oscillation damps with time in the presence of non-adiabatic processes. Radiative cooling is the dominant factor leading to damping. A scaling law for the damping timescale is derived, i.e., τ~ l1.63 D0.66w-1.21v0-0.30, showing strong dependence on the prominence length l, the geometry of the magnetic dip (characterized by the depth D and the width w), and the velocity perturbation amplitude v0. The larger the amplitude, the faster the oscillation damps. We also found that mass drainage significantly reduces the damping timescale when the perturbation is too strong.

Trends and associated uncertainty in the global mean temperature record

NASA Astrophysics Data System (ADS)

Poppick, A. N.; Moyer, E. J.; Stein, M.

2016-12-01

Physical models suggest that the Earth's mean temperature warms in response to changing CO2 concentrations (and hence increased radiative forcing); given physical uncertainties in this relationship, the historical temperature record is a source of empirical information about global warming. A persistent thread in many analyses of the historical temperature record, however, is the reliance on methods that appear to deemphasize both physical and statistical assumptions. Examples include regression models that treat time rather than radiative forcing as the relevant covariate, and time series methods that account for natural variability in nonparametric rather than parametric ways. We show here that methods that deemphasize assumptions can limit the scope of analysis and can lead to misleading inferences, particularly in the setting considered where the data record is relatively short and the scale of temporal correlation is relatively long. A proposed model that is simple but physically informed provides a more reliable estimate of trends and allows a broader array of questions to be addressed. In accounting for uncertainty, we also illustrate how parametric statistical models that are attuned to the important characteristics of natural variability can be more reliable than ostensibly more flexible approaches.

A parametric model of muscle moment arm as a function of joint angle: application to the dorsiflexor muscle group in mice.

PubMed

Miller, S W; Dennis, R G

1996-12-01

A parametric model was developed to describe the relationship between muscle moment arm and joint angle. The model was applied to the dorsiflexor muscle group in mice, for which the moment arm was determined as a function of ankle angle. The moment arm was calculated from the torque measured about the ankle upon application of a known force along the line of action of the dorsiflexor muscle group. The dependence of the dorsiflexor moment arm on ankle angle was modeled as r = R sin(a + delta), where r is the moment arm calculated from the measured torque and a is the joint angle. A least-squares curve fit yielded values for R, the maximum moment arm, and delta, the angle at which the maximum moment arm occurs as offset from 90 degrees. Parametric models were developed for two strains of mice, and no differences were found between the moment arms determined for each strain. Values for the maximum moment arm, R, for the two different strains were 0.99 and 1.14 mm, in agreement with the limited data available from the literature. While in some cases moment arm data may be better fitted by a polynomial, use of the parametric model provides a moment arm relationship with meaningful anatomical constants, allowing for the direct comparison of moment arm characteristics between different strains and species.

Stochastic sensitivity analysis of the variability of dynamics and transition to chaos in the business cycles model

NASA Astrophysics Data System (ADS)

Bashkirtseva, Irina; Ryashko, Lev; Ryazanova, Tatyana

2018-01-01

A problem of mathematical modeling of complex stochastic processes in macroeconomics is discussed. For the description of dynamics of income and capital stock, the well-known Kaldor model of business cycles is used as a basic example. The aim of the paper is to give an overview of the variety of stochastic phenomena which occur in Kaldor model forced by additive and parametric random noise. We study a generation of small- and large-amplitude stochastic oscillations, and their mixed-mode intermittency. To analyze these phenomena, we suggest a constructive approach combining the study of the peculiarities of deterministic phase portrait, and stochastic sensitivity of attractors. We show how parametric noise can stabilize the unstable equilibrium and transform dynamics of Kaldor system from order to chaos.

Stimulated Raman scattering of sub-millimeter waves in bismuth

NASA Astrophysics Data System (ADS)

Kumar, Pawan; Tripathi, V. K.

2007-12-01

A high-power sub-millimeter wave propagating through bismuth, a semimetal with non-spherical energy surfaces, parametrically excites a space-charge mode and a back-scattered electromagnetic wave. The free carrier density perturbation associated with the space-charge wave couples with the oscillatory velocity due to the pump to derive the scattered wave. The scattered and pump waves exert a pondermotive force on electrons and holes, driving the space-charge wave. The collisional damping of the decay waves determines the threshold for the parametric instability. The threshold intensity for 20 μm wavelength pump turns out to be ˜2×1012 W/cm2. Above the threshold, the growth rate scales increase with ωo, attain a maximum around ωo=6.5ωp, and, after this, falls off.

Theory of short-scale field-aligned density striations due to ionospheric heating

NASA Technical Reports Server (NTRS)

Lee, M.-C.; Fejer, J. A.

1978-01-01

The theoretical saturation spectrum of parametrically excited Langmuir waves in a locally uniform ionosphere is shown by the present calculations to produce, by ohmic dissipation, short-scale field-aligned density striations. The spectrum of the calculated striations is not inconsistent with observations of field-aligned scatter of VHF and UHF waves in ionospheric modification experiments if local increases of the pump field due to focusing are invoked.

Vibrations and structureborne noise in space station

NASA Technical Reports Server (NTRS)

Vaicaitis, R.; Lyrintzis, C. S.; Bofilios, D. A.

1987-01-01

Analytical models were developed to predict vibrations and structureborne noise generation of cylindrical and rectangular acoustic enclosures. These models are then used to determine structural vibration levels and interior noise to random point input forces. The guidelines developed could provide preliminary information on acoustical and vibrational environments in space station habitability modules under orbital operations. The structural models include single wall monocoque shell, double wall shell, stiffened orthotropic shell, descretely stiffened flat panels, and a coupled system composed of a cantilever beam structure and a stiffened sidewall. Aluminum and fiber reinforced composite materials are considered for single and double wall shells. The end caps of the cylindrical enclosures are modeled either as single or double wall circular plates. Sound generation in the interior space is calculated by coupling the structural vibrations to the acoustic field in the enclosure. Modal methods and transfer matrix techniques are used to obtain structural vibrations. Parametric studies are performed to determine the sensitivity of interior noise environment to changes in input, geometric and structural conditions.

Evaluation of bending modulus of lipid bilayers using undulation and orientation analysis

NASA Astrophysics Data System (ADS)

Chaurasia, Adarsh K.; Rukangu, Andrew M.; Philen, Michael K.; Seidel, Gary D.; Freeman, Eric C.

2018-03-01

In the current paper, phospholipid bilayers are modeled using coarse-grained molecular dynamics simulations with the MARTINI force field. The extracted molecular trajectories are analyzed using Fourier analysis of the undulations and orientation vectors to establish the differences between the two approaches for evaluating the bending modulus. The current work evaluates and extends the implementation of the Fourier analysis for molecular trajectories using a weighted horizon-based averaging approach. The effect of numerical parameters in the analysis of these trajectories is explored by conducting parametric studies. Computational modeling results are validated against experimentally characterized bending modulus of lipid membranes using a shape fluctuation analysis. The computational framework is then used to estimate the bending moduli for different types of lipids (phosphocholine, phosphoethanolamine, and phosphoglycerol). This work provides greater insight into the numerical aspects of evaluating the bilayer bending modulus, provides validation for the orientation analysis technique, and explores differences in bending moduli based on differences in the lipid nanostructures.

Design and prototype fabrication of a 30 tesla cryogenic magnet

NASA Technical Reports Server (NTRS)

Prok, G. M.; Swanson, M. C.; Brown, G. V.

1977-01-01

A liquid-neon-cooled magnet has been designed to produce 30 teslas in steady operation. Its feasibility was established by a previously reported parametric study. To ensure the correctness of the heat transfer relationships used, supercritical neon heat transfer tests were made. Other tests made before the final design included tests on the effect of the magnetic field on pump motors; tensile-shear tests on the cryogenic adhesives; and simulated flow studies for the coolant. The magnet will be made of two pairs of coils, cooled by forced convection of supercritical neon. Heat from the supercritical neon will be rejected through heat exchangers which are made of roll-bonded copper panels and are submerged in a pool of saturated liquid neon. A partial mock-up coil was wound to identify the tooling required to wind the magnet. This was followed by winding a prototype pair of coils. The prototype winding established procedures for fabricating the final magnet and revealed slight changes needed in the final design.

Diagnostic layer integration in FPGA-based pipeline measurement systems for HEP experiments

NASA Astrophysics Data System (ADS)

Pozniak, Krzysztof T.

2007-08-01

Integrated triggering and data acquisition systems for high energy physics experiments may be considered as fast, multichannel, synchronous, distributed, pipeline measurement systems. A considerable extension of functional, technological and monitoring demands, which has recently been imposed on them, forced a common usage of large field-programmable gate array (FPGA), digital signal processing-enhanced matrices and fast optical transmission for their realization. This paper discusses modelling, design, realization and testing of pipeline measurement systems. A distribution of synchronous data stream flows is considered in the network. A general functional structure of a single network node is presented. A suggested, novel block structure of the node model facilitates full implementation in the FPGA chip, circuit standardization and parametrization, as well as integration of functional and diagnostic layers. A general method for pipeline system design was derived. This method is based on a unified model of the synchronous data network node. A few examples of practically realized, FPGA-based, pipeline measurement systems were presented. The described systems were applied in ZEUS and CMS.

Coupled thermomechanical behavior of graphene using the spring-based finite element approach

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

Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr; Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr

The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations aremore » analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.« less

Beating the Standard Sensitivity-Bandwidth Limit of Cavity-Enhanced Interferometers with Internal Squeezed-Light Generation

NASA Astrophysics Data System (ADS)

Korobko, M.; Kleybolte, L.; Ast, S.; Miao, H.; Chen, Y.; Schnabel, R.

2017-04-01

The shot-noise limited peak sensitivity of cavity-enhanced interferometric measurement devices, such as gravitational-wave detectors, can be improved by increasing the cavity finesse, even when comparing fixed intracavity light powers. For a fixed light power inside the detector, this comes at the price of a proportional reduction in the detection bandwidth. High sensitivity over a large span of signal frequencies, however, is essential for astronomical observations. It is possible to overcome this standard sensitivity-bandwidth limit using nonclassical correlations in the light field. Here, we investigate the internal squeezing approach, where the parametric amplification process creates a nonclassical correlation directly inside the interferometer cavity. We theoretically analyze the limits of the approach and measure 36% increase in the sensitivity-bandwidth product compared to the classical case. To our knowledge, this is the first experimental demonstration of an improvement in the sensitivity-bandwidth product using internal squeezing, opening the way for a new class of optomechanical force sensing devices.

A continuum theory for two-phase flows of particulate solids: application to Poiseuille flows

NASA Astrophysics Data System (ADS)

Monsorno, Davide; Varsakelis, Christos; Papalexandris, Miltiadis V.

2015-11-01

In the first part of this talk, we present a novel two-phase continuum model for incompressible fluid-saturated granular flows. The model accounts for both compaction and shear-induced dilatancy and accommodates correlations for the granular rheology in a thermodynamically consistent way. In the second part of this talk, we exercise this two-phase model in the numerical simulation of a fully-developed Poiseuille flow of a dense suspension. The numerical predictions are shown to compare favorably against experimental measurements and confirm that the model can capture the important characteristics of the flow field, such as segregation and formation of plug zones. Finally, results from parametric studies with respect to the initial concentration, the magnitude of the external forcing and the width of the channel are presented and the role of these physical parameters is quantified. Financial Support has been provided by SEDITRANS, an Initial Training Network of the European Commission's 7th Framework Programme

Liquid Adsorption of Organic Compounds on Hematite α-Fe2O3 Using ReaxFF.

PubMed

Chia, Chung-Lim; Avendaño, Carlos; Siperstein, Flor R; Filip, Sorin

2017-10-24

ReaxFF-based molecular dynamics simulations are used in this work to study the effect of the polarity of adsorbed molecules in the liquid phase on the structure and polarization of hematite (α-Fe 2 O 3 ). We compared the adsorption of organic molecules with different polarities on a rigid hematite surface and on a flexible and polarizable surface. We show that the displacements of surface atoms and surface polarization in a flexible hematite model are proportional to the adsorbed molecule's polarity. The increase in electrostatic interactions resulting from charge transfer in the outermost solid atoms in a flexible hematite model results in better-defined adsorbed layers that are less ordered than those obtained assuming a rigid solid. These results suggest that care must be taken when parametrizing empirical transferable force fields because the calculated charges on a solid slab in vacuum may not be representative of a real system, especially when the solid is in contact with a polar liquid.

Experimental demonstration of spatially coherent beam combining using optical parametric amplification.

PubMed

Kurita, Takashi; Sueda, Keiichi; Tsubakimoto, Koji; Miyanaga, Noriaki

2010-07-05

We experimentally demonstrated coherent beam combining using optical parametric amplification with a nonlinear crystal pumped by random-phased multiple-beam array of the second harmonic of a Nd:YAG laser at 10-Hz repetition rate. In the proof-of-principle experiment, the phase jump between two pump beams was precisely controlled by a motorized actuator. For the demonstration of multiple-beam combining a random phase plate was used to create random-phased beamlets as a pump pulse. Far-field patterns of the pump, the signal, and the idler indicated that the spatially coherent signal beams were obtained on both cases. This approach allows scaling of the intensity of optical parametric chirped pulse amplification up to the exa-watt level while maintaining diffraction-limited beam quality.

Experimental realization of a feedback optical parametric amplifier with four-wave mixing

NASA Astrophysics Data System (ADS)

Pan, Xiaozhou; Chen, Hui; Wei, Tianxiang; Zhang, Jun; Marino, Alberto M.; Treps, Nicolas; Glasser, Ryan T.; Jing, Jietai

2018-04-01

Optical parametric amplifiers (OPAs) play a fundamental role in the generation of quantum correlation for quantum information processing and quantum metrology. In order to increase the communication fidelity of the quantum information protocol and the measurement precision of quantum metrology, it requires a high degree of quantum correlation. In this Rapid Communication we report a feedback optical parametric amplifier that employs a four-wave mixing (FWM) process as the underlying OPA and a beam splitter as the feedback controller. We first construct a theoretical model for this feedback-based FWM process and experimentally study the effect of the feedback control on the quantum properties of the system. Specifically, we find that the quantum correlation between the output fields can be enhanced by tuning the strength of the feedback.

Quasi-phase-matched χ(3 )-parametric interactions in sinusoidally tapered waveguides

NASA Astrophysics Data System (ADS)

Saleh, Mohammed F.

2018-01-01

In this article, I show how periodically tapered waveguides can be employed as efficient quasi-phase-matching schemes for four-wave mixing parametric processes in third-order nonlinear materials. As an example, a thorough study of enhancing third-harmonic generation in sinusoidally tapered fibers has been conducted. The quasi-phase-matching condition has been obtained for nonlinear parametric interactions in these structures using Fourier-series analysis. The dependencies of the conversion efficiency of the third harmonic on the modulation amplitude, tapering period, longitudinal-propagation direction, and pump wavelength have been studied. In comparison to uniform waveguides, the conversion efficiency has been enhanced by orders of magnitudes. I envisage that this work will have a great impact in the field of guided nonlinear optics using centrosymmetric materials.

Volterra model of the parametric array loudspeaker operating at ultrasonic frequencies.

PubMed

Shi, Chuang; Kajikawa, Yoshinobu

2016-11-01

The parametric array loudspeaker (PAL) is an application of the parametric acoustic array in air, which can be applied to transmit a narrow audio beam from an ultrasonic emitter. However, nonlinear distortion is very perceptible in the audio beam. Modulation methods to reduce the nonlinear distortion are available for on-axis far-field applications. For other applications, preprocessing techniques are wanting. In order to develop a preprocessing technique with general applicability to a wide range of operating conditions, the Volterra filter is investigated as a nonlinear model of the PAL in this paper. Limitations of the standard audio-to-audio Volterra filter are elaborated. An improved ultrasound-to-ultrasound Volterra filter is proposed and empirically demonstrated to be a more generic Volterra model of the PAL.

Path planning in uncertain flow fields using ensemble method

NASA Astrophysics Data System (ADS)

Wang, Tong; Le Maître, Olivier P.; Hoteit, Ibrahim; Knio, Omar M.

2016-10-01

An ensemble-based approach is developed to conduct optimal path planning in unsteady ocean currents under uncertainty. We focus our attention on two-dimensional steady and unsteady uncertain flows, and adopt a sampling methodology that is well suited to operational forecasts, where an ensemble of deterministic predictions is used to model and quantify uncertainty. In an operational setting, much about dynamics, topography, and forcing of the ocean environment is uncertain. To address this uncertainty, the flow field is parametrized using a finite number of independent canonical random variables with known densities, and the ensemble is generated by sampling these variables. For each of the resulting realizations of the uncertain current field, we predict the path that minimizes the travel time by solving a boundary value problem (BVP), based on the Pontryagin maximum principle. A family of backward-in-time trajectories starting at the end position is used to generate suitable initial values for the BVP solver. This allows us to examine and analyze the performance of the sampling strategy and to develop insight into extensions dealing with general circulation ocean models. In particular, the ensemble method enables us to perform a statistical analysis of travel times and consequently develop a path planning approach that accounts for these statistics. The proposed methodology is tested for a number of scenarios. We first validate our algorithms by reproducing simple canonical solutions, and then demonstrate our approach in more complex flow fields, including idealized, steady and unsteady double-gyre flows.

Modeling and Simulation of Viscous Electro-Active Polymers

PubMed Central

Vogel, Franziska; Göktepe, Serdar; Steinmann, Paul; Kuhl, Ellen

2014-01-01

Electro-active materials are capable of undergoing large deformation when stimulated by an electric field. They can be divided into electronic and ionic electro-active polymers (EAPs) depending on their actuation mechanism based on their composition. We consider electronic EAPs, for which attractive Coulomb forces or local re-orientation of polar groups cause a bulk deformation. Many of these materials exhibit pronounced visco-elastic behavior. Here we show the development and implementation of a constitutive model, which captures the influence of the electric field on the visco-elastic response within a geometrically non-linear finite element framework. The electric field affects not only the equilibrium part of the strain energy function, but also the viscous part. To adopt the familiar additive split of the strain from the small strain setting, we formulate the governing equations in the logarithmic strain space and additively decompose the logarithmic strain into elastic and viscous parts. We show that the incorporation of the electric field in the viscous response significantly alters the relaxation and hysteresis behavior of the model. Our parametric study demonstrates that the model is sensitive to the choice of the electro-viscous coupling parameters. We simulate several actuator structures to illustrate the performance of the method in typical relaxation and creep scenarios. Our model could serve as a design tool for micro-electro-mechanical systems, microfluidic devices, and stimuli-responsive gels such as artificial skin, tactile displays, or artificial muscle. PMID:25267881

Direct Visualization of Planar Assembly of Plasmonic Nanoparticles Adjacent to Electrodes in Oscillatory Electric Fields.

PubMed

Ferrick, Adam; Wang, Mei; Woehl, Taylor J

2018-05-29

Electric field-directed assembly of colloidal nanoparticles (NPs) has been widely adopted for fabricating functional thin films and nanostructured surfaces. While first-order electrokinetic effects on NPs are well-understood in terms of classical models, effects of second-order electrokinetics that involve induced surface charge are still poorly understood. Induced charge electroosmotic phenomena, such as electrohydrodynamic (EHD) flow, have long been implicated in electric field-directed NP assembly with little experimental basis. Here, we use in situ dark-field optical microscopy and plasmonic NPs to directly observe the dynamics of planar assembly of colloidal NPs adjacent to a planar electrode in low-frequency (<1 kHz) oscillatory electric fields. We exploit the change in plasmonic NP color resulting from interparticle plasmonic coupling to visualize the assembly dynamics and assembly structure of silver NPs. Planar assembly of NPs is unexpected because of strong electrostatic repulsion between NPs and indicates that there are strong attractive interparticle forces oriented perpendicular to the electric field direction. A parametric investigation of the voltage- and frequency-dependent phase behavior reveals that planar NP assembly occurs over a narrow frequency range below which irreversible ballistic deposition occurs. Two key experimental observations are consistent with EHD flow-induced NP assembly: (1) NPs remain mobile during assembly and (2) electron microscopy observations reveal randomly close-packed planar assemblies, consistent with strong interparticle attraction. We interpret planar assembly in terms of EHD fluid flow and develop a scaling model that qualitatively agrees with the measured phase regions. Our results are the first direct in situ observations of EHD flow-induced NP assembly and shed light on long-standing unresolved questions concerning the formation of NP superlattices during electric field-induced NP deposition.

Predictive power of theoretical modelling of the nuclear mean field: examples of improving predictive capacities

NASA Astrophysics Data System (ADS)

Dedes, I.; Dudek, J.

2018-03-01

We examine the effects of the parametric correlations on the predictive capacities of the theoretical modelling keeping in mind the nuclear structure applications. The main purpose of this work is to illustrate the method of establishing the presence and determining the form of parametric correlations within a model as well as an algorithm of elimination by substitution (see text) of parametric correlations. We examine the effects of the elimination of the parametric correlations on the stabilisation of the model predictions further and further away from the fitting zone. It follows that the choice of the physics case and the selection of the associated model are of secondary importance in this case. Under these circumstances we give priority to the relative simplicity of the underlying mathematical algorithm, provided the model is realistic. Following such criteria, we focus specifically on an important but relatively simple case of doubly magic spherical nuclei. To profit from the algorithmic simplicity we chose working with the phenomenological spherically symmetric Woods–Saxon mean-field. We employ two variants of the underlying Hamiltonian, the traditional one involving both the central and the spin orbit potential in the Woods–Saxon form and the more advanced version with the self-consistent density-dependent spin–orbit interaction. We compare the effects of eliminating of various types of correlations and discuss the improvement of the quality of predictions (‘predictive power’) under realistic parameter adjustment conditions.

Capturing and Rendering With Incident Light Fields

DTIC Science & Technology

2003-01-01

Adelson and Bergen 1 as the Plenoptic Func- tion. They proposed this seven-dimensional function in the form P = P(θ,φ,λ, t,Vx,Vy,Vz), where P is defined...Light Field or Lumigraph can be used to reconstruct a 5D plenoptic function from a 4D dataset. Ashdown 2 presented Near Field Photometry, a method for...Incident Light Fields r1 ro n u v ro Figure 2: Incident Light Field Parametrization. The inci- dent light field is defined by a reduced plenoptic function

Balance assessment during squatting exercise: A comparison between laboratory grade force plate and a commercial, low-cost device.

PubMed

Mengarelli, Alessandro; Verdini, Federica; Cardarelli, Stefano; Di Nardo, Francesco; Burattini, Laura; Fioretti, Sandro

2018-04-11

Testing balance through squatting exercise is a central part of many rehabilitation programs and sports and plays also an important role in clinical evaluation of residual motor ability. The assessment of center of pressure (CoP) displacement and its parametrization is commonly used to describe and analyze squat movement and the laboratory-grade force plates (FP) are the gold standard for measuring balance performances from a dynamic view-point. However, the Nintendo Wii Balance Board (NWBB) has been recently proposed as an inexpensive and easily available device for measuring ground reaction force and CoP displacement in standing balance tasks. Thus, this study aimed to compare the NWBB-CoP data with those obtained from a laboratory FP during a dynamic motor task, such as the squat task. CoP data of forty-eight subjects were acquired simultaneously from a NWBB and a FP and the analyses were performed over the descending squatting phase. Outcomes showed a very high correlation (r) and limited root-mean-square differences between CoP trajectories in anterior-posterior (r > 0.99, 1.63 ± 1.27 mm) and medial-lateral (r > 0.98, 1.01 ± 0.75 mm) direction. Spatial parameters computed from CoP displacement and ground reaction force peak presented fixed biases between NWBB and FP. Errors showed a high consistency (standard deviation < 2.4% of the FP outcomes) and a random spread distribution around the mean difference. Mean velocity is the only parameter which exhibited a tendency towards proportional values. Findings of this study suggested the NWBB as a valid device for the assessment and parametrization of CoP displacement during squatting movement. Copyright © 2018 Elsevier Ltd. All rights reserved.

Parametric modulation of thermomagnetic convection in magnetic fluids.

PubMed

Engler, H; Odenbach, S

2008-05-21

Previous theoretical investigations on thermal flow in a horizontal fluid layer have shown that the critical temperature difference, where heat transfer changes from diffusion to convective flow, depends on the frequency of a time-modulated driving force. The driving force of thermal convection is the buoyancy force resulting from the interaction of gravity and the density gradient provided by a temperature difference in the vertical direction of a horizontal fluid layer. An experimental investigation of such phenomena fails because of technical problems arising if buoyancy is to be changed by altering the temperature difference or gravitational acceleration. The possibility of influencing convective flow in a horizontal magnetic fluid layer by magnetic forces might provide us with a means to solve the problem of a time-modulated magnetic driving force. An experimental setup to investigate the dependence of the critical temperature difference on the frequency of the driving force has been designed and implemented. First results show that the time modulation of the driving force has significant influence on the strength of the convective flow. In particular a pronounced minimum in the strength of convection has been found for a particular frequency.

Modeling Predictors of Duties Not Including Flying Status.

PubMed

Tvaryanas, Anthony P; Griffith, Converse

2018-01-01

The purpose of this study was to reuse available datasets to conduct an analysis of potential predictors of U.S. Air Force aircrew nonavailability in terms of being in "duties not to include flying" (DNIF) status. This study was a retrospective cohort analysis of U.S. Air Force aircrew on active duty during the period from 2003-2012. Predictor variables included age, Air Force Specialty Code (AFSC), clinic location, diagnosis, gender, pay grade, and service component. The response variable was DNIF duration. Nonparametric methods were used for the exploratory analysis and parametric methods were used for model building and statistical inference. Out of a set of 783 potential predictor variables, 339 variables were identified from the nonparametric exploratory analysis for inclusion in the parametric analysis. Of these, 54 variables had significant associations with DNIF duration in the final model fitted to the validation data set. The predicted results of this model for DNIF duration had a correlation of 0.45 with the actual number of DNIF days. Predictor variables included age, 6 AFSCs, 7 clinic locations, and 40 primary diagnosis categories. Specific demographic (i.e., age), occupational (i.e., AFSC), and health (i.e., clinic location and primary diagnosis category) DNIF drivers were identified. Subsequent research should focus on the application of primary, secondary, and tertiary prevention measures to ameliorate the potential impact of these DNIF drivers where possible.Tvaryanas AP, Griffith C Jr. Modeling predictors of duties not including flying status. Aerosp Med Hum Perform. 2018; 89(1):52-57.

Parametric Shape Optimization of Lens-Focused Piezoelectric Ultrasound Transducers.

PubMed

Thomas, Gilles P L; Chapelon, Jean-Yves; Bera, Jean-Christophe; Lafon, Cyril

2018-05-01

Focused transducers composed of flat piezoelectric ceramic coupled with an acoustic lens present an economical alternative to curved piezoelectric ceramics and are already in use in a variety of fields. Using a displacement/pressure (u/p) mixed finite element formulation combined with parametric level-set functions to implicitly define the boundaries between the materials and the fluid-structure interface, a method to optimize the shape of acoustic lens made of either one or multiple materials is presented. From that method, two 400 kHz focused transducers using acoustic lens were designed and built with different rapid prototyping methods, one of them made with a combination of two materials, and experimental measurements of the pressure field around the focal point are in good agreement with the presented model.

Application of parametric equations of motion to study the resonance coalescence in H2(+).

PubMed

Kalita, Dhruba J; Gupta, Ashish K

2012-12-07

Recently, occurrence of coalescence point was reported in H(2)(+) undergoing multiphoton dissociation in strong laser field. We have applied parametric equations of motion and smooth exterior scaling method to study the coalescence phenomenon of H(2)(+). The advantage of this method is that one can easily trace the different states that are changing as the field parameters change. It was reported earlier that in the parameter space, only two bound states coalesce [R. Lefebvre, O. Atabek, M. Sindelka, and N. Moiseyev, Phys. Rev. Lett. 103, 123003 (2009)]. However, it is found that increasing the accuracy of the calculation leads to the coalescence between resonance states originating from the bound and the continuum states. We have also reported many other coalescence points.

The Ponzano-Regge Model and Parametric Representation

NASA Astrophysics Data System (ADS)

Li, Dan

2014-04-01

We give a parametric representation of the effective noncommutative field theory derived from a -deformation of the Ponzano-Regge model and define a generalized Kirchhoff polynomial with -correction terms, obtained in a -linear approximation. We then consider the corresponding graph hypersurfaces and the question of how the presence of the correction term affects their motivic nature. We look in particular at the tetrahedron graph, which is the basic case of relevance to quantum gravity. With the help of computer calculations, we verify that the number of points over finite fields of the corresponding hypersurface does not fit polynomials with integer coefficients, hence the hypersurface of the tetrahedron is not polynomially countable. This shows that the correction term can change significantly the motivic properties of the hypersurfaces, with respect to the classical case.

Quality, Quantity, And Surprise! Trade-Offs In X-Raser ASAT Attrition

NASA Astrophysics Data System (ADS)

Callaham, Michael B.; Scibilia, Frank M.

1984-08-01

In order to characterize the effects of technological superiority, numerical superiority, and pre-emption on space battle outcomes, we have constructed a battle simulation in which "Red" and "Blue" ASATs, each armed with a specified number of x-ray lasers of specified range, move along specified orbits and fire on one another according to a pair of battle management algorithms. The simulated battle proceeds until apparent steady-state force levels are reached. Battle outcomes are characterized by terminal force ratio and by terminal force-exchange ratio as effective weapon range, multiplicity (x-rasers per ASAT), and pre-emptive role are varied parametrically. A major conclusion is that pre-emptive advantage increases with increasing x-raser range and multiplicity (x-rasers per ASAT) and with increasing force size. That is, the "use 'em or lose 'em" dilemma will become more stark as such weapons are refined and proliferated.

Kinetic Effects in Parametric Instabilities of Finite Amplitude Alfven Waves in a Drifting Multi-Species Plasma

NASA Astrophysics Data System (ADS)

Maneva, Y. G.; Araneda, J. A.; Poedts, S.

2014-12-01

We consider parametric instabilities of finite-amplitude large-scale Alfven waves in a low-beta collisionless multi-species plasma, consisting of fluid electrons, kinetic protons and a drifting population of minor ions. Complementary to many theoretical studies, relying on fluid or multi-fluid approach, in this work we present the solutions of the parametric instability dispersion relation, including kinetic effects in the parallel direction, along the ambient magnetic field. This provides us with the opportunity to predict the importance of some wave-particle interactions like Landau damping of the daughter ion-acoustic waves for the given pump wave and plasma conditions. We apply the dispersion relation to plasma parameters, typical for low-beta collisionless solar wind close to the Sun. We compare the analytical solutions to the linear stage of hybrid numerical simulations and discuss the application of the model to the problems of preferential heating and differential acceleration of minor ions in the solar corona and the fast solar wind. The results of this study provide tools for prediction and interpretation of the magnetic field and particles data as expected from the future Solar Orbiter and Solar Probe Plus missions.

The minimal number of parameters in triclinic crystal-field potentials

NASA Astrophysics Data System (ADS)

Mulak, J.

2003-09-01

The optimal parametrization schemes of the crystal-field (CF) potential in fitting procedures are those based on the smallest numbers of parameters. The surplus parametrizations usually lead to artificial and non-physical solutions. Therefore, the symmetry adapted reference systems are commonly used. Instead of them, however, the coordinate systems with the z-axis directed along the principal axes of the CF multipoles (2 k-poles) can be applied successfully, particularly for triclinic CF potentials. Due to the irreducibility of the D(k) representations such a choice can reduce the number of the k-order parameters by 2 k: from 2 k+1 (in the most general case) to only 1 (the axial one). Unfortunately, in general, the numbers of other order CF parameters stay then unrestricted. In this way, the number of parameters for the k-even triclinic CF potentials can be reduced by 4, 8 or 12, for k=2,4 or 6, respectively. Hence, the parametrization schemes based on maximum 14 parameters can be in use solely. For higher point symmetries this number is usually greater than that for the symmetry adapted systems. Nonetheless, many instructive correlations between the multipole contributions to the CF interaction are attainable in this way.

Parametric excitation of very low frequency (VLF) electromagnetic whistler waves and interaction with energetic electrons in radiation belt

NASA Astrophysics Data System (ADS)

Sotnikov, V.; Kim, T.; Caplinger, J.; Main, D.; Mishin, E.; Gershenzon, N.; Genoni, T.; Paraschiv, I.; Rose, D.

2018-04-01

The concept of a parametric antenna in ionospheric plasma is analyzed. Such antennas are capable of exciting electromagnetic radiation fields, specifically the creation of whistler waves generated at the very low frequency (VLF) range, which are also capable of propagating large distances away from the source region. The mechanism of whistler wave generation is considered a parametric interaction of quasi-electrostatic whistler waves (also known as low oblique resonance (LOR) oscillations) excited by a conventional loop antenna. The interaction of LOR waves with quasi-neutral density perturbations in the near field of an antenna gives rise to electromagnetic whistler waves on combination frequencies. It is shown in this work that the amplitude of these waves can considerably exceed the amplitude of whistler waves directly excited by a loop. Additionally, particle-in-cell simulations, which demonstrate the excitation and spatial structure of VLF waves excited by a loop antenna, are presented. Possible applications including the wave-particle interactions to mitigate performance anomalies of low Earth orbit satellites, active space experiments, communication via VLF waves, and modification experiments in the ionosphere will be discussed.

Effects of mistuning on bending-torsion flutter and response of a cascade in incompressible flow. [turbofan engines

NASA Technical Reports Server (NTRS)

Kaza, K. R. V.; Kielb, R. E.

1981-01-01

The effect of small differences between the individual blades (mistuning) on the aeroelastic stability and response of a cascade were studied. The aerodynamic, inertial, and structural coupling between the bending and torsional motions of each blade and the aerodynamic coupling between the blades was considered. A digital computer program was developed to conduct parametric studies. Results indicate that the mistuning has a beneficial effect on the coupled bending torsion and uncoupled torsion flutter. On forced response, however, the effect may be either beneficial or adverse, depending on the engine order of the forcing function. The results also illustrate that it may be feasible to utilize mistuning as a passive control to increase flutter speed while maintaining forced response at an acceptable level.

The nonlinear instability in flap-lag of rotor blades in forward flight

NASA Technical Reports Server (NTRS)

Tong, P.

1971-01-01

The nonlinear flap-lag coupled oscillation of torsionally rigid rotor blades in forward flight is examined using a set of consistently derived equations by the asymptotic expansion procedure of multiple time scales. The regions of stability and limit cycle oscillation are presented. The roles of parametric excitation, nonlinear oscillation, and forced excitation played in the response of the blade are determined.

Investigation of the dynamic stress–strain response of compressible polymeric foam using a non-parametric analysis

DOE PAGES

Koohbor, Behrad; Kidane, Addis; Lu, Wei -Yang; ...

2016-01-25

Dynamic stress–strain response of rigid closed-cell polymeric foams is investigated in this work by subjecting high toughness polyurethane foam specimens to direct impact with different projectile velocities and quantifying their deformation response with high speed stereo-photography together with 3D digital image correlation. The measured transient displacement field developed in the specimens during high stain rate loading is used to calculate the transient axial acceleration field throughout the specimen. A simple mathematical formulation based on conservation of mass is also proposed to determine the local change of density in the specimen during deformation. By obtaining the full-field acceleration and density distributions,more » the inertia stresses at each point in the specimen are determined through a non-parametric analysis and superimposed on the stress magnitudes measured at specimen ends to obtain the full-field stress distribution. Furthermore, the process outlined above overcomes a major challenge in high strain rate experiments with low impedance polymeric foam specimens, i.e. the delayed equilibrium conditions can be quantified.« less

L to H mode transition: Parametric dependencies of the temperature threshold

DOE PAGES

Bourdelle, C.; Chone, L.; Fedorczak, N.; ...

2015-06-15

The L to H mode transition occurs at a critical power which depends on various parameters, such as the magnetic field, the density, etc. Experimental evidence on various tokamaks (JET, ASDEX-Upgrade, DIII-D, Alcator C-Mod) points towards the existence of a critical temperature characterizing the transition. This criterion for the L-H transition is local and is therefore easier to be compared to theoretical approaches. In order to shed light on the mechanisms of the transition, simple theoretical ideas are used to derive a temperature threshold (T th). They are based on the stabilization of the underlying turbulence by a mean radialmore » electric field shear. The nature of the turbulence varies as the collisionality decreases, from resistive ballooning modes to ion temperature gradient and trapped electron modes. The obtained parametric dependencies of the derived T th are tested versus magnetic field, density, effective charge. Furthermore, various robust experimental observations are reproduced, in particular T th increases with magnetic field B and increases with density below the density roll-over observed on the power threshold.« less

Pattern formation without diffraction matching in optical parametric oscillators with a metamaterial.

PubMed

Tassin, Philippe; Van der Sande, Guy; Veretennicoff, Irina; Kockaert, Pascal; Tlidi, Mustapha

2009-05-25

We consider a degenerate optical parametric oscillator containing a left-handed material. We show that the inclusion of a left-handed material layer allows for controlling the strength and sign of the diffraction coefficient at either the pump or the signal frequency. Subsequently, we demonstrate the existence of stable dissipative structures without diffraction matching, i.e., without the usual relationship between the diffraction coefficients of the signal and pump fields. Finally, we investigate the size scaling of these light structures with decreasing diffraction strength.

Observation of large-scale density cavities and parametric-decay instabilities in the high-altitude discrete auroral ionosphere under pulsed electromagnetic radiation.

PubMed

Wong, A Y; Chen, J; Lee, L C; Liu, L Y

2009-03-13

A large density cavity that measured 2000 km across and 500 km in height was observed by DEMETER and Formosat/COSMIC satellites in temporal and spatial relation to a new mode of propagation of electromagnetic (em) pulses between discrete magnetic field-aligned auroral plasmas to high altitudes. Recorded positive plasma potential from satellite probes is consistent with the expulsion of electrons in the creation of density cavities. High-frequency decay spectra support the concept of parametric instabilities fed by free energy sources.

Controlled Asymmetry of Einstein-Podolsky-Rosen Steering with an Injected Nondegenerate Optical Parametric Oscillator

NASA Astrophysics Data System (ADS)

Olsen, M. K.

2017-10-01

We propose and analyze a nonlinear optical apparatus in which the direction of asymmetric steering is controllable within the apparatus, rather than by adding noise to measurements. Using a nondegenerate parametric oscillator with an injected signal field, we show how the directionality and extent of the steering can be readily controlled for output modes that can be up to one octave apart. The two down-converted modes, which exhibit the greater violations of the steering inequalities, can also be controlled to exhibit asymmetric steering in some regimes.

Unsteady wind loads for TMT: replacing parametric models with CFD

NASA Astrophysics Data System (ADS)

MacMartin, Douglas G.; Vogiatzis, Konstantinos

2014-08-01

Unsteady wind loads due to turbulence inside the telescope enclosure result in image jitter and higher-order image degradation due to M1 segment motion. Advances in computational fluid dynamics (CFD) allow unsteady simulations of the flow around realistic telescope geometry, in order to compute the unsteady forces due to wind turbulence. These simulations can then be used to understand the characteristics of the wind loads. Previous estimates used a parametric model based on a number of assumptions about the wind characteristics, such as a von Karman spectrum and frozen-flow turbulence across M1, and relied on CFD only to estimate parameters such as mean wind speed and turbulent kinetic energy. Using the CFD-computed forces avoids the need for assumptions regarding the flow. We discuss here both the loads on the telescope that lead to image jitter, and the spatially-varying force distribution across the primary mirror, using simulations with the Thirty Meter Telescope (TMT) geometry. The amplitude, temporal spectrum, and spatial distribution of wind disturbances are all estimated; these are then used to compute the resulting image motion and degradation. There are several key differences relative to our earlier parametric model. First, the TMT enclosure provides sufficient wind reduction at the top end (near M2) to render the larger cross-sectional structural areas further inside the enclosure (including M1) significant in determining the overall image jitter. Second, the temporal spectrum is not von Karman as the turbulence is not fully developed; this applies both in predicting image jitter and M1 segment motion. And third, for loads on M1, the spatial characteristics are not consistent with propagating a frozen-flow turbulence screen across the mirror: Frozen flow would result in a relationship between temporal frequency content and spatial frequency content that does not hold in the CFD predictions. Incorporating the new estimates of wind load characteristics into TMT response predictions leads to revised estimates of the response of TMT to wind turbulence, and validates the aerodynamic design of the enclosure.

Comparison of four approaches to a rock facies classification problem

USGS Publications Warehouse

Dubois, M.K.; Bohling, Geoffrey C.; Chakrabarti, S.

2007-01-01

In this study, seven classifiers based on four different approaches were tested in a rock facies classification problem: classical parametric methods using Bayes' rule, and non-parametric methods using fuzzy logic, k-nearest neighbor, and feed forward-back propagating artificial neural network. Determining the most effective classifier for geologic facies prediction in wells without cores in the Panoma gas field, in Southwest Kansas, was the objective. Study data include 3600 samples with known rock facies class (from core) with each sample having either four or five measured properties (wire-line log curves), and two derived geologic properties (geologic constraining variables). The sample set was divided into two subsets, one for training and one for testing the ability of the trained classifier to correctly assign classes. Artificial neural networks clearly outperformed all other classifiers and are effective tools for this particular classification problem. Classical parametric models were inadequate due to the nature of the predictor variables (high dimensional and not linearly correlated), and feature space of the classes (overlapping). The other non-parametric methods tested, k-nearest neighbor and fuzzy logic, would need considerable improvement to match the neural network effectiveness, but further work, possibly combining certain aspects of the three non-parametric methods, may be justified. ?? 2006 Elsevier Ltd. All rights reserved.

Influence of stochastic sea ice parametrization on climate and the role of atmosphere–sea ice–ocean interaction

PubMed Central

Juricke, Stephan; Jung, Thomas

2014-01-01

The influence of a stochastic sea ice strength parametrization on the mean climate is investigated in a coupled atmosphere–sea ice–ocean model. The results are compared with an uncoupled simulation with a prescribed atmosphere. It is found that the stochastic sea ice parametrization causes an effective weakening of the sea ice. In the uncoupled model this leads to an Arctic sea ice volume increase of about 10–20% after an accumulation period of approximately 20–30 years. In the coupled model, no such increase is found. Rather, the stochastic perturbations lead to a spatial redistribution of the Arctic sea ice thickness field. A mechanism involving a slightly negative atmospheric feedback is proposed that can explain the different responses in the coupled and uncoupled system. Changes in integrated Antarctic sea ice quantities caused by the stochastic parametrization are generally small, as memory is lost during the melting season because of an almost complete loss of sea ice. However, stochastic sea ice perturbations affect regional sea ice characteristics in the Southern Hemisphere, both in the uncoupled and coupled model. Remote impacts of the stochastic sea ice parametrization on the mean climate of non-polar regions were found to be small. PMID:24842027

Validation of a Parametric Approach for 3d Fortification Modelling: Application to Scale Models

NASA Astrophysics Data System (ADS)

Jacquot, K.; Chevrier, C.; Halin, G.

2013-02-01

Parametric modelling approach applied to cultural heritage virtual representation is a field of research explored for years since it can address many limitations of digitising tools. For example, essential historical sources for fortification virtual reconstructions like plans-reliefs have several shortcomings when they are scanned. To overcome those problems, knowledge based-modelling can be used: knowledge models based on the analysis of theoretical literature of a specific domain such as bastioned fortification treatises can be the cornerstone of the creation of a parametric library of fortification components. Implemented in Grasshopper, these components are manually adjusted on the data available (i.e. 3D surveys of plans-reliefs or scanned maps). Most of the fortification area is now modelled and the question of accuracy assessment is raised. A specific method is used to evaluate the accuracy of the parametric components. The results of the assessment process will allow us to validate the parametric approach. The automation of the adjustment process can finally be planned. The virtual model of fortification is part of a larger project aimed at valorising and diffusing a very unique cultural heritage item: the collection of plans-reliefs. As such, knowledge models are precious assets when automation and semantic enhancements will be considered.

Breathing spiral waves in the chlorine dioxide-iodine-malonic acid reaction-diffusion system.

PubMed

Berenstein, Igal; Muñuzuri, Alberto P; Yang, Lingfa; Dolnik, Milos; Zhabotinsky, Anatol M; Epstein, Irving R

2008-08-01

Breathing spiral waves are observed in the oscillatory chlorine dioxide-iodine-malonic acid reaction-diffusion system. The breathing develops within established patterns of multiple spiral waves after the concentration of polyvinyl alcohol in the feeding chamber of a continuously fed, unstirred reactor is increased. The breathing period is determined by the period of bulk oscillations in the feeding chamber. Similar behavior is obtained in the Lengyel-Epstein model of this system, where small amplitude parametric forcing of spiral waves near the spiral wave frequency leads to the formation of breathing spiral waves in which the period of breathing is equal to the period of forcing.

Lox droplet vaporization in a supercritical forced convective environment

NASA Technical Reports Server (NTRS)

Hsiao, Chia-Chun; Yang, Vigor

1994-01-01

A systematic investigation has been conducted to study the effects of ambient flow conditions (i.e. pressure and velocity) on supercritical droplet gasification in a forced-convective environment. The model is based on the time-dependent conservation equations in axisymmetric coordinates, and accommodates thermodynamic nonidealities and transport anomalies. In addition, an efficient scheme for evaluating thermophysical properties over the entire range of fluid thermodynamic states is established. The analysis allows a thorough examination of droplet behavior during its entire lifetime, including transient gasification, dynamic deformation, and shattering. A parametric study of droplet vaporization rate in terms of ambient pressure and Reynolds number is also conducted.

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

Ray, Jaideep; Lee, Jina; Lefantzi, Sophia

The estimation of fossil-fuel CO2 emissions (ffCO2) from limited ground-based and satellite measurements of CO2 concentrations will form a key component of the monitoring of treaties aimed at the abatement of greenhouse gas emissions. To that end, we construct a multiresolution spatial parametrization for fossil-fuel CO2 emissions (ffCO2), to be used in atmospheric inversions. Such a parametrization does not currently exist. The parametrization uses wavelets to accurately capture the multiscale, nonstationary nature of ffCO2 emissions and employs proxies of human habitation, e.g., images of lights at night and maps of built-up areas to reduce the dimensionality of the multiresolution parametrization.more » The parametrization is used in a synthetic data inversion to test its suitability for use in atmospheric inverse problem. This linear inverse problem is predicated on observations of ffCO2 concentrations collected at measurement towers. We adapt a convex optimization technique, commonly used in the reconstruction of compressively sensed images, to perform sparse reconstruction of the time-variant ffCO2 emission field. We also borrow concepts from compressive sensing to impose boundary conditions i.e., to limit ffCO2 emissions within an irregularly shaped region (the United States, in our case). We find that the optimization algorithm performs a data-driven sparsification of the spatial parametrization and retains only of those wavelets whose weights could be estimated from the observations. Further, our method for the imposition of boundary conditions leads to a 10computational saving over conventional means of doing so. We conclude with a discussion of the accuracy of the estimated emissions and the suitability of the spatial parametrization for use in inverse problems with a significant degree of regularization.« less

Appplications of the post-Tolman-Oppenheimer-Volkoff formalism

NASA Astrophysics Data System (ADS)

Silva, Hector O.; Glampedakis, Kostas; Pappas, George; Berti, Emanuele

2017-01-01

Besides their astrophysical interest, neutron stars are promising candidates for testing theories of gravity in the strong-field regime. It is known that, generically, modifications to general relativity affect the bulk properties of neutron stars, e.g. their masses and radii, in a way that depends on the specific choice of theory. In this presentation we review a theory-agnostic approach to model relativistic stars, called the post-Tolman-Oppenheimer-Volkoff formalism. Drawing inspiration from the parametrized post-Newtonian formalism, this framework allows us to describe perturbative deviations from general relativity in the structure of neutrons stars in a parametrized manner. We show that a variety of astrophysical observables (namely the surface redshift, the apparent radius, the Eddington luminosity and the orbital frequency of particles in geodesic motion around neutron stars) can be parametrized using only two parameters.

Warm and cold pasta phase in relativistic mean field theory

NASA Astrophysics Data System (ADS)

Avancini, S. S.; Menezes, D. P.; Alloy, M. D.; Marinelli, J. R.; Moraes, M. M. W.; Providência, C.

2008-07-01

In the present article we investigate the onset of the pasta phase with different parametrizations of the nonlinear Walecka model. At zero temperature two different methods are used, one based on coexistent phases and the other on the Thomas-Fermi approximation. At finite temperature only the coexistence phases method is used. npe matter with fixed proton fractions and in β equilibrium is studied. The pasta phase decreases with the increase of temperature. The internal pasta structure and the beginning of the homogeneous phase vary depending on the proton fraction (or the imposition of β equilibrium), on the method used, and on the chosen parametrization. It is shown that a good parametrization of the surface tension with dependence on the temperature, proton fraction, and geometry is essential to describe correctly large isospin asymmetries and the transition from pasta to homogeneous matter.

Panel Flutter Emulation Using a Few Concentrated Forces

NASA Astrophysics Data System (ADS)

Dhital, Kailash; Han, Jae-Hung

2018-04-01

The objective of this paper is to study the feasibility of panel flutter emulation using a few concentrated forces. The concentrated forces are considered to be equivalent to aerodynamic forces. The equivalence is carried out using surface spline method and principle of virtual work. The structural modeling of the plate is based on the classical plate theory and the aerodynamic modeling is based on the piston theory. The present approach differs from the linear panel flutter analysis in scheming the modal aerodynamics forces with unchanged structural properties. The solutions for the flutter problem are obtained numerically using the standard eigenvalue procedure. A few concentrated forces were considered with an optimization effort to decide their optimal locations. The optimization process is based on minimizing the error between the flutter bounds from emulated and linear flutter analysis method. The emulated flutter results for the square plate of four different boundary conditions using six concentrated forces are obtained with minimal error to the reference value. The results demonstrated the workability and viability of using concentrated forces in emulating real panel flutter. In addition, the paper includes the parametric studies of linear panel flutter whose proper literatures are not available.

TOWARD HIGH-PRECISION SEISMIC STUDIES OF WHITE DWARF STARS: PARAMETRIZATION OF THE CORE AND TESTS OF ACCURACY

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

Giammichele, N.; Fontaine, G.; Brassard, P.

We present a prescription for parametrizing the chemical profile in the core of white dwarfs in light of the recent discovery that pulsation modes may sometimes be deeply confined in some cool pulsating white dwarfs. Such modes may be used as unique probes of the complicated chemical stratification that results from several processes that occurred in previous evolutionary phases of intermediate-mass stars. This effort is part of our ongoing quest for more credible and realistic seismic models of white dwarfs using static, parametrized equilibrium structures. Inspired by successful techniques developed in design optimization fields (such as aerodynamics), we exploit Akimamore » splines for the tracing of the chemical profile of oxygen (carbon) in the core of a white dwarf model. A series of tests are then presented to better seize the precision and significance of the results that can be obtained in an asteroseismological context. We also show that the new parametrization passes an essential basic test, as it successfully reproduces the chemical stratification of a full evolutionary model.« less

Toward High-precision Seismic Studies of White Dwarf Stars: Parametrization of the Core and Tests of Accuracy

NASA Astrophysics Data System (ADS)

Giammichele, N.; Charpinet, S.; Fontaine, G.; Brassard, P.

2017-01-01

We present a prescription for parametrizing the chemical profile in the core of white dwarfs in light of the recent discovery that pulsation modes may sometimes be deeply confined in some cool pulsating white dwarfs. Such modes may be used as unique probes of the complicated chemical stratification that results from several processes that occurred in previous evolutionary phases of intermediate-mass stars. This effort is part of our ongoing quest for more credible and realistic seismic models of white dwarfs using static, parametrized equilibrium structures. Inspired by successful techniques developed in design optimization fields (such as aerodynamics), we exploit Akima splines for the tracing of the chemical profile of oxygen (carbon) in the core of a white dwarf model. A series of tests are then presented to better seize the precision and significance of the results that can be obtained in an asteroseismological context. We also show that the new parametrization passes an essential basic test, as it successfully reproduces the chemical stratification of a full evolutionary model.

Signature of charge migration in modulations of double ionization

NASA Astrophysics Data System (ADS)

Mauger, François; Abanador, Paul M.; Bruner, Adam; Sissay, Adonay; Gaarde, Mette B.; Lopata, Kenneth; Schafer, Kenneth J.

2018-04-01

We present a theoretical investigation of charge migration following strong-field ionization in a multielectron system. We study a model homonuclear molecule with two electrons, each restricted to one dimension (1 +1 D ), interacting with a strong, static electric field. We show that in this system charge migration results from the interplay between multiple ionization channels that overlap in space, creating a coherent electron-hole wave packet in the cation. We also find that, in our case, charge migration following the first ionization manifests as a modulation of the subsequent double-ionization signal. We derive a parametrized semiclassical model from the full multielectron system and we discuss the importance of the choice of cation electronic-structure basis for the efficacy of the semiclassical representation. We use the ab initio solution of the full 1 +1 D system as a reference for the qualitative and quantitative results of the parametrized semiclassical model. We discuss the extension of our model to long-wavelength time-dependent fields with full-dimension, many-electron targets.

Spinor description of D = 5 massless low-spin gauge fields

NASA Astrophysics Data System (ADS)

Uvarov, D. V.

2016-07-01

Spinor description for the curvatures of D = 5 Yang-Mills, Rarita-Schwinger and gravitational fields is elaborated. Restrictions imposed on the curvature spinors by the dynamical equations and Bianchi identities are analyzed. In the absence of sources symmetric curvature spinors with 2s indices obey first-order equations that in the linearized limit reduce to Dirac-type equations for massless free fields. These equations allow for a higher-spin generalization similarly to 4d case. Their solution in the form of the integral over Lorentz-harmonic variables parametrizing coset manifold {SO}(1,4)/({SO}(1,1)× {ISO}(3)) isomorphic to the three-sphere is considered. Superparticle model that contains such Lorentz harmonics as dynamical variables, as well as harmonics parametrizing the two-sphere {SU}(2)/U(1) is proposed. The states in its spectrum are given by the functions on S 3 that upon integrating over the Lorentz harmonics reproduce on-shell symmetric curvature spinors for various supermultiplets of D = 5 space-time supersymmetry.

Dual throat engine design for a SSTO launch vehicle

NASA Technical Reports Server (NTRS)

Obrien, C. J.; Salmon, J. W.

1980-01-01

A propulsion system analysis of a dual fuel, dual throat engine for launch vehicle application was conducted. Basic dual throat engine characterization data are presented to allow vehicle optimization studies to be conducted. A preliminary baseline engine system was defined. Dual throat engine performance, envelope, and weight parametric data were generated over the parametric range of thrust from 890 to 8896 KN (200K to 2M lb-force), chamber pressure from 6.89 million to 34.5 million N/sq m (1000 to 5000 psia) thrust ratio from 1.2 to 5, and a range of mixture ratios for the two tripropellant combinations: LO2/RP-1 + LH2 and LO2/LCH4 + LH2. The results of the study indicate that the dual fuel dual throat engine is a viable single stage to orbit candidate.

Moment Lyapunov Exponent and Stochastic Stability of Binary Airfoil under Combined Harmonic and Non-Gaussian Colored Noise Excitations

NASA Astrophysics Data System (ADS)

Hu, D. L.; Liu, X. B.

Both periodic loading and random forces commonly co-exist in real engineering applications. However, the dynamic behavior, especially dynamic stability of systems under parametric periodic and random excitations has been reported little in the literature. In this study, the moment Lyapunov exponent and stochastic stability of binary airfoil under combined harmonic and non-Gaussian colored noise excitations are investigated. The noise is simplified to an Ornstein-Uhlenbeck process by applying the path-integral method. Via the singular perturbation method, the second-order expansions of the moment Lyapunov exponent are obtained, which agree well with the results obtained by the Monte Carlo simulation. Finally, the effects of the noise and parametric resonance (such as subharmonic resonance and combination additive resonance) on the stochastic stability of the binary airfoil system are discussed.

Research on ponderomotive driven Vlasov–Poisson system in electron acoustic wave parametric region

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

Xiao, C. Z.; Huang, T. W.; Liu, Z. J.

2014-03-15

Theoretical analysis and corresponding 1D Particle-in-Cell (PIC) simulations of ponderomotive driven Vlasov–Poisson system in electron acoustic wave (EAW) parametric region are demonstrated. Theoretical analysis identifies that under the resonant condition, a monochromatic EAW can be excited when the wave number of the drive ponderomotive force satisfies 0.26≲k{sub d}λ{sub D}≲0.53. If k{sub d}λ{sub D}≲0.26, nonlinear superposition of harmonic waves can be resonantly excited, called kinetic electrostatic electron nonlinear waves. Numerical simulations have demonstrated these wave excitation and evolution dynamics, in consistence with the theoretical predictions. The physical nature of these two waves is supposed to be interaction of harmonic waves, andmore » their similar phase space properties are also discussed.« less

Molecular Simulation of Adsorption in Zeolites

NASA Astrophysics Data System (ADS)

Bai, Peng

Zeolites are a class of crystalline nanoporous materials that are widely used as catalysts, sorbents, and ion-exchangers. Zeolites have revolutionized the petroleum industry and have fueled the 20th-century automobile culture, by enabling numerous highly-efficient transformations and separations in oil refineries. They are also posed to play an important role in many processes of biomass conversion. One of the fundamental principles in the field of zeolites involves the understanding and tuning of the selectivity for different guest molecules that results from the wide variety of pore architectures. The primary goal of my dissertation research is to gain such understanding via computer simulations and eventually to reach the level of predictive modeling. The dissertation starts with a brief introduction of the applications of zeolites and computer modeling techniques useful for the study of zeolitic systems. Chapter 2 then describes an effort to improve simulation efficiency, which is essential for many challenging adsorption systems. Chapter 3 studies a model system to demonstrate the applicability and capability of the method used for the majority of this work, configurational-bias Monte Carlo simulations in the Gibbs ensemble (CBMC-GE). After these methodological developments, Chapter 4 and 5 report a systematic parametrization of a new transferable force field for all-silica zeolites, TraPPE-zeo, and a subsequent, relatively ad-hoc extension to cation-exchanged aluminosilicates. The CBMC-GE method and the TraPPE-zeo force field are then combined to investigate some complex adsorption systems, such as linear and branched C6-C 9 alkanes in a hierarchical microporous/mesoporous material (Chapter 6), the multi-component adsorption of aqueous alcohol solutions (Chapter 7) and glucose solutions (Chapter 8). Finally, Chapter 9 describes an endeavor to screen a large number of zeolites with the purpose of finding better materials for two energy-related applications, ethanol/water separation and hydrocarbon iso-dewaxing.

Surface instability of a thin electrolyte film undergoing coupled electroosmotic and electrophoretic flows in a microfluidic channel.

PubMed

Ray, Bahni; Reddy, Puchalapalli Dinesh Sankar; Bandyopadhyay, Dipankar; Joo, Sang W; Sharma, Ashutosh; Qian, Shizhi; Biswas, Gautam

2011-11-01

We consider the stability of a thin liquid film with a free charged surface resting on a solid charged substrate by performing a general Orr-Sommerfeld (O-S) analysis complemented by a long-wave (LW) analysis. An externally applied field generates an electroosmotic flow (EOF) near the solid substrate and an electrophoretic flow (EPF) at the free surface. The EPF retards the EOF when both the surfaces have the same sign of the potential and can even lead to the flow reversal in a part of the film. In conjunction with the hydrodynamic stress, the Maxwell stress is also considered in the problem formulation. The electrokinetic potential at the liquid-air and solid-liquid interfaces is modelled by the Poisson-Boltzmann equation with the Debye-Hückel approximation. The O-S analysis shows a finite-wavenumber shear mode of instability when the inertial forces are strong and an LW interfacial mode of instability in the regime where the viscous force dominates. Interestingly, both the modes are found to form beyond a critical flow rate. The shear (interfacial) mode is found to be dominant when the film is thick (thin), the electric field applied is strong (weak), and the zeta-potentials on the liquid-air and solid-liquid interfaces are high (small). The LW analysis predicts the presence of the interfacial mode, but fails to capture the shear mode. The change in the propagation direction of the interfacial mode with the zeta-potential is predicted by both O-S and LW analyses. The parametric range in which the LW analysis is valid is thus demonstrated. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-equilibrium magnetic colloidal dispersions at liquid-air interfaces: dynamic patterns, magnetic order and self-assembled swimmers.

PubMed

Snezhko, Alexey

2011-04-20

Colloidal dispersions of interacting particles subjected to an external periodic forcing often develop nontrivial self-assembled patterns and complex collective behavior. A fundamental issue is how collective ordering in such non-equilibrium systems arises from the dynamics of discrete interacting components. In addition, from a practical viewpoint, by working in regimes far from equilibrium new self-organized structures which are generally not available through equilibrium thermodynamics can be created. In this review spontaneous self-assembly phenomena in magnetic colloidal dispersions suspended at liquid-air interfaces and driven out of equilibrium by an alternating magnetic field are presented. Experiments reveal a new type of nontrivially ordered self-assembled structures emerging in such systems in a certain range of excitation parameters. These dynamic structures emerge as a result of the competition between magnetic and hydrodynamic forces and have complex unconventional magnetic ordering. Nontrivial self-induced hydrodynamic fields accompany each out-of-equilibrium pattern. Spontaneous symmetry breaking of the self-induced surface flows leading to a formation of self-propelled microstructures has been discovered. Some features of the self-localized structures can be understood in the framework of the amplitude equation (Ginzburg-Landau type equation) for parametric waves coupled to the conservation law equation describing the evolution of the magnetic particle density and the Navier-Stokes equation for hydrodynamic flows. To understand the fundamental microscopic mechanisms governing self-assembly processes in magnetic colloidal dispersions at liquid-air interfaces a first-principle model for a non-equilibrium self-assembly is presented. The latter model allows us to capture in detail the entire process of out-of-equilibrium self-assembly in the system and reproduces most of the observed phenomenology.

Combined quantum mechanical and molecular mechanical method for metal-organic frameworks: proton topologies of NU-1000.

PubMed

Wu, Xin-Ping; Gagliardi, Laura; Truhlar, Donald G

2018-01-17

Metal-organic frameworks (MOFs) are materials with applications in catalysis, gas separations, and storage. Quantum mechanical (QM) calculations can provide valuable guidance to understand and predict their properties. In order to make the calculations faster, rather than modeling these materials as periodic (infinite) systems, it is useful to construct finite models (called cluster models) and use subsystem methods such as fragment methods or combined quantum mechanical and molecular mechanical (QM/MM) methods. Here we employ a QM/MM methodology to study one particular MOF that has been of widespread interest because of its wide pores and good solvent and thermal stability, namely NU-1000, which contains hexanuclear zirconium nodes and 1,3,6,8-tetrakis(p-benzoic acid)pyrene (TBAPy 4- ) linkers. A modified version of the Bristow-Tiana-Walsh transferable force field has been developed to allow QM/MM calculations on NU-1000; we call the new parametrization the NU1T force field. We consider isomeric structures corresponding to various proton topologies of the [Zr 6 (μ 3 -O) 8 O 8 H 16 ] 8+ node of NU-1000, and we compute their relative energies using a QM/MM scheme designed for the present kind of problem. We compared the results to full quantum mechanical (QM) energy calculations and found that the QM/MM models can reproduce the full QM relative energetics (which span a range of 334 kJ mol -1 ) with a mean unsigned deviation (MUD) of only 2 kJ mol -1 . Furthermore, we found that the structures optimized by QM/MM are nearly identical to their full QM optimized counterparts.

Airborne Measurements of Atmospheric Methane Using Pulsed Laser Transmitters

NASA Technical Reports Server (NTRS)

Numata, Kenji; Riris, Haris; Wu, Stewart; Gonzalez, Brayler; Rodriguez, Michael; Hasselbrack, William; Fahey, Molly; Yu, Anthony; Stephen, Mark; Mao, Jianping;

Levitation forces of a bulk YBCO superconductor in gradient varying magnetic fields

NASA Astrophysics Data System (ADS)

Jiang, J.; Gong, Y. M.; Wang, G.; Zhou, D. J.; Zhao, L. F.; Zhang, Y.; Zhao, Y.

2015-09-01

The levitation forces of a bulk YBCO superconductor in gradient varying high and low magnetic fields generated from a superconducting magnet were investigated. The magnetic field intensity of the superconducting magnet was measured when the exciting current was 90 A. The magnetic field gradient and magnetic force field were both calculated. The YBCO bulk was cooled by liquid nitrogen in field-cooling (FC) and zero-field-cooling (ZFC) condition. The results showed that the levitation forces increased with increasing the magnetic field intensity. Moreover, the levitation forces were more dependent on magnetic field gradient and magnetic force field than magnetic field intensity.

Experimental investigation of turbine blade-tip excitation forces

NASA Technical Reports Server (NTRS)

Martinez-Sanchez, Manuel; Jaroux, Belgacem; Song, Seung Jin; Yoo, Soom-Yung; Palczynski, Taras

1994-01-01

Results of a program to investigate the magnitude and parametric variations of rotordynamic forces which arise in high power turbines due to blade-tip leakage effects are presented. Five different unshrouded turbine configurations and one configuration shrouded with a labyrinth seal were tested with static offsets of the turbine shaft. The forces along and perpendicular to the offset were measured directly with a rotating dynometer. Exploration of casing pressure and flow velocity distributions was used to investigate the force-generating mechanisms. For unshrouded turbines, the cross-forces originate mainly from the classical Alford mechanisms while the direct forces arise mainly from a slightly skewed pressure pattern. The Alford coefficient for cross-force was found to vary between 2.4 and 4.0, while the similar direct force coefficient varied from 1.5 to 3.5. The cross-forces are found to increase substantially when the gap is reduced from 3.0 to 1.9% of blade height, probably due to viscous blade-tip effects. The forces also increase when the hub gap between stator and rotor decreases. The force coefficient decreased with operating flow coefficient. In the case of the shrouded turbine, most of the forces arise from nonuniform seal pressures. This includes about 80% for the transverse forces. The rest appears to come from uneven work extraction. Their level is about 50% higher in the shrouded case.

Generation and subsequent amplification of few-cycle femtosecond pulses from a picosecond pump laser

NASA Astrophysics Data System (ADS)

Mukhin, I. B.; Kuznetsov, I. I.; Palashov, O. V.

2018-04-01

Using a new approach, in which generation of femtosecond pulses as short as a few field cycles is implemented directly from the radiation of a picosecond pump laser, pulses with the microjoule energy, the repetition rate 10 kHz, and the duration less than 26 fs are generated in the spectral range 1.3 ‑ 1.4 μm. In the process of generating this radiation, use was made of a method providing passive phase stabilisation of the carrier oscillation of the electromagnetic field and its slow envelope. The radiation spectrum was converted into the range of parametric amplification in the BBO crystal by the broadband second harmonic generation; the pulse was parametrically amplified up to the microjoule level and compressed by chirped mirrors to a duration of 28 fs.

Quantum correlations across two octaves from combined up- and down-conversion

NASA Astrophysics Data System (ADS)

Li, Jingyan; Olsen, M. K.

2018-04-01

We propose and analyze a cascaded optical parametric system which involves three interacting modes across two octaves of frequency difference. Our system, combining degenerate optical parametric oscillation (OPO) with second harmonic generation (SHG), promises to be a useful source of squeezed and entangled light at three differing frequencies. We show how changes in damping rates and the ratio of the two concurrent nonlinearities affect the quantum correlations in the output fields. We analyze the threshold behavior, showing how the normal OPO threshold is changed by the addition of the SHG interactions. We also find that the inclusion of the OPO interaction removes the self-pulsing behavior found in normal SHG. Finally, we show how the Einstein-Podolsky-Rosen correlations can be controlled by the injection of a coherent seed field at the lower frequency.

Effect of random errors in planar PIV data on pressure estimation in vortex dominated flows

NASA Astrophysics Data System (ADS)

McClure, Jeffrey; Yarusevych, Serhiy

2015-11-01

The sensitivity of pressure estimation techniques from Particle Image Velocimetry (PIV) measurements to random errors in measured velocity data is investigated using the flow over a circular cylinder as a test case. Direct numerical simulations are performed for ReD = 100, 300 and 1575, spanning laminar, transitional, and turbulent wake regimes, respectively. A range of random errors typical for PIV measurements is applied to synthetic PIV data extracted from numerical results. A parametric study is then performed using a number of common pressure estimation techniques. Optimal temporal and spatial resolutions are derived based on the sensitivity of the estimated pressure fields to the simulated random error in velocity measurements, and the results are compared to an optimization model derived from error propagation theory. It is shown that the reductions in spatial and temporal scales at higher Reynolds numbers leads to notable changes in the optimal pressure evaluation parameters. The effect of smaller scale wake structures is also quantified. The errors in the estimated pressure fields are shown to depend significantly on the pressure estimation technique employed. The results are used to provide recommendations for the use of pressure and force estimation techniques from experimental PIV measurements in vortex dominated laminar and turbulent wake flows.

Performance analysis of a microfluidic mixer based on high gradient magnetic separation principles

NASA Astrophysics Data System (ADS)

Liu, Mengyu; Han, Xiaotao; Cao, Quanliang; Li, Liang

2017-09-01

To achieve a rapid mixing between a water-based ferrofluid and DI water in a microfluidic environment, a magnetically actuated mixing system based on high gradient magnetic separation principles is proposed in this work. The microfluidic system consists of a T-shaped mirochannel and an array of integrated soft-magnetic elements at the sidewall of the channel. With the aid of an external magnetic bias field, these elements are magnetized to produce a magnetic volume force acting on the fluids containing magnetic nanoparticles, and then to induce additional flows for improving the mixing performance. The mixing process is numerically investigated through analyzing the concentration distribution of magnetic nanoparticles using a coupled particle-fluid transport model, and mixing performances under different parametrical conditions are investigated in detail. Numerical results show that a high mixing efficiency around 97.5% can be achieved within 2 s under an inlet flow rate of 1 mm s-1 and a relatively low magnetic bias field of 50 mT. Meanwhile, it has been found that there is an optimum number of magnetic elements used for obtaining the best mixing performance. These results show the potential of the proposed mixing method in lab-on-a-chip system and could be helpful in designing and optimizing system performance.

Evolution of the regions of the 3D particle motion in the regular polygon problem of (N+1) bodies with a quasi-homogeneous potential

NASA Astrophysics Data System (ADS)

Fakis, Demetrios; Kalvouridis, Tilemahos

2017-09-01

The regular polygon problem of (N+1) bodies deals with the dynamics of a small body, natural or artificial, in the force field of N big bodies, the ν=N-1 of which have equal masses and form an imaginary regular ν -gon, while the Nth body with a different mass is located at the center of mass of the system. In this work, instead of considering Newtonian potentials and forces, we assume that the big bodies create quasi-homogeneous potentials, in the sense that we insert to the inverse square Newtonian law of gravitation an inverse cube corrective term, aiming to approximate various phenomena due to their shape or to the radiation emitting from the primaries. Based on this new consideration, we apply a general methodology in order to investigate by means of the zero-velocity surfaces, the regions where 3D motions of the small body are allowed, their evolutions and parametric variations, their topological bifurcations, as well as the existing trapping domains of the particle. Here we note that this process is definitely a fundamental step of great importance in the study of many dynamical systems characterized by a Jacobian-type integral of motion in the long way of searching for solutions of any kind.

Rayleigh-Taylor instability of two-specie laser-accelerated foils

NASA Astrophysics Data System (ADS)

Ratliff, T. H.; Yi, S. A.; Khudik, V.; Yu, T. P.; Pukhov, A.; Chen, M.; Shvets, G.

2010-11-01

When an ultra intense circularly polarized laser pulse irradiates an ultra thin film, a monoenergetic ion beam is produced with characteristics well suited for applications in science and medicine. Upon laser incidence, the electrons in the foil are pushed via the ponderomotive force to the foil rear; the charge separation field then accelerates ions. In the accelerating frame the ions are trapped in a potential well formed by the electrostatic and inertial forces. However, their energy spectrum can be quickly degraded by the Rayleigh-Taylor (RT) instability. Stabilization in the case of a two-specie foil is the subject of this poster. First, we use a 1D particle-in-cell (PIC) simulation to establish an equilibrium state of the two-specie foil in the accelerating frame. Next we perturb this equilibrium and analytically investigate the 2D RT instability. Analytical results are compared with 2-D simulations. We also investigate parametrically various effects on the RT growth rate. The protons completely separate from the carbons, and although the vacuum-carbon interface remains unstable, the large spatial extent of the carbon layer prevents perturbations from feeding through to the proton layer. The monoenergetic proton beam is shown to persist beyond the conclusion of the laser pulse interaction. [1] T.P. Yu, A. Pukhov, G. Shvets, and M Chen, Phys. Rev. Lett. (in press)

On the diversity of compact objects within supernova remnants - I. A parametric model for magnetic field evolution

NASA Astrophysics Data System (ADS)

Rogers, Adam; Safi-Harb, Samar

2016-04-01

A wealth of X-ray and radio observations has revealed in the past decade a growing diversity of neutron stars (NSs) with properties spanning orders of magnitude in magnetic field strength and ages, and with emission processes explained by a range of mechanisms dictating their radiation properties. However, serious difficulties exist with the magneto-dipole model of isolated NS fields and their inferred ages, such as a large range of observed braking indices (n, with values often <3) and a mismatch between the NS and associated supernova remnant (SNR) ages. This problem arises primarily from the assumptions of a constant magnetic field with n = 3, and an initial spin period that is much smaller than the observed current period. It has been suggested that a solution to this problem involves magnetic field evolution, with some NSs having magnetic fields buried within the crust by accretion of fall-back supernova material following their birth. In this work, we explore a parametric phenomenological model for magnetic field growth that generalizes previous suggested field evolution functions, and apply it to a variety of NSs with both secure SNR associations and known ages. We explore the flexibility of the model by recovering the results of previous work on buried magnetic fields in young NSs. Our model fits suggest that apparently disparate classes of NSs may be related to one another through the time evolution of the magnetic field.

Waves and instabilities in plasmas

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

Chen, L.

1987-01-01

The contents of this book are: Plasma as a Dielectric Medium; Nyquist Technique; Absolute and Convective Instabilities; Landau Damping and Phase Mixing; Particle Trapping and Breakdown of Linear Theory; Solution of Viasov Equation via Guilding-Center Transformation; Kinetic Theory of Magnetohydrodynamic Waves; Geometric Optics; Wave-Kinetic Equation; Cutoff and Resonance; Resonant Absorption; Mode Conversion; Gyrokinetic Equation; Drift Waves; Quasi-Linear Theory; Ponderomotive Force; Parametric Instabilities; Problem Sets for Homework, Midterm and Final Examinations.

Determination dans les Installations au Sol des Parametres Aerodynamiques de Stabilite des Aeronefs (Determination in Ground Facilities of Aerodynamic Stability Parameters of Aircraft),

DTIC Science & Technology

1979-06-01

7 INTRODUCTION ...................................................................................... 12 CHAPITRE I : ELEMENTS DE DYNAMIQUE...daone Ie texts. 12 INTRODUCTION La ddtermination des ddrivdes adrodynamiques de stabilitd, en soufflerie et au tunnel de tir, aur des maquettes...ddtection des forces eat effectuds de fegon classiqus depuis plus de vingt ana par des barreaux d’acier dquipds de jauges de contrainte, gdndralament en

Equilibria of the symmetric collinear restricted four-body problem with radiation pressure

NASA Astrophysics Data System (ADS)

Arribas, M.; Abad, A.; Elipe, A.; Palacios, M.

2016-02-01

In this paper, a restricted four-body problem with radiation pressure is considered. The three primaries are supposed in a collinear central configuration where both masses and both radiation forces of peripheral bodies are equal. After an adequate formulation, the problem is reduced to a tri-parametric one. A complete analysis of the position of equilibria and their stability in the space of parameters is performed.

Parametric analysis of occupant ankle and tibia injuries in frontal impact

PubMed Central

Mo, Fuhao; Jiang, Xiaoqing; Duan, Shuyong; Xiao, Zhi; Shi, Wei

2017-01-01

Objective Non-fatal tibia and ankle injuries without proper protection from the restraint system has gotten wide attention from researchers. This study aimed to investigate occupant tibia and ankle injuries under realistic frontal impact environment that is rarely considered in previous experimental and simulant studies. Methods An integrated occupant-vehicle model was established by coupling an isolated car cab model and a hybrid occupant model with a biofidelic pelvis-lower limb model, while its loading conditions were extracted from the realistic full-frontal impact test. A parametric study was implemented concerning instrument panel (IP) design and pedal intrusion/rotation parameters. Results The significant influences of the IP angle, pedal intrusion and pedal rotation on tibia axial force, tibia bending moment and ankle dorsiflexion angle are noted. By coupling their effects, a new evaluation index named CAIEI (Combined Ankle Injury Evaluation Index) is established to evaluate ankle injury (including tibia fractures in ankle region) risk and severity in robustness. Conclusions Overall results and analysis indicate that ankle dorsiflexion angle should be considered when judging the injury in lower limb under frontal impact. Meanwhile, the current index with coupling effects of tibia axial force, bending moment and ankle dorsiflexion angle is in a good correlation with the simulation injury outcomes. PMID:28910377

ON ESTIMATING FORCE-FREENESS BASED ON OBSERVED MAGNETOGRAMS

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

Zhang, X. M.; Zhang, M.; Su, J. T., E-mail: xmzhang@nao.cas.cn

It is a common practice in the solar physics community to test whether or not measured photospheric or chromospheric vector magnetograms are force-free, using the Maxwell stress as a measure. Some previous studies have suggested that magnetic fields of active regions in the solar chromosphere are close to being force-free whereas there is no consistency among previous studies on whether magnetic fields of active regions in the solar photosphere are force-free or not. Here we use three kinds of representative magnetic fields (analytical force-free solutions, modeled solar-like force-free fields, and observed non-force-free fields) to discuss how measurement issues such asmore » limited field of view (FOV), instrument sensitivity, and measurement error could affect the estimation of force-freeness based on observed magnetograms. Unlike previous studies that focus on discussing the effect of limited FOV or instrument sensitivity, our calculation shows that just measurement error alone can significantly influence the results of estimates of force-freeness, due to the fact that measurement errors in horizontal magnetic fields are usually ten times larger than those in vertical fields. This property of measurement errors, interacting with the particular form of a formula for estimating force-freeness, would result in wrong judgments of the force-freeness: a truly force-free field may be mistakenly estimated as being non-force-free and a truly non-force-free field may be estimated as being force-free. Our analysis calls for caution when interpreting estimates of force-freeness based on measured magnetograms, and also suggests that the true photospheric magnetic field may be further away from being force-free than it currently appears to be.« less

Cluster-level statistical inference in fMRI datasets: The unexpected behavior of random fields in high dimensions.

PubMed

Bansal, Ravi; Peterson, Bradley S

2018-06-01

Identifying regional effects of interest in MRI datasets usually entails testing a priori hypotheses across many thousands of brain voxels, requiring control for false positive findings in these multiple hypotheses testing. Recent studies have suggested that parametric statistical methods may have incorrectly modeled functional MRI data, thereby leading to higher false positive rates than their nominal rates. Nonparametric methods for statistical inference when conducting multiple statistical tests, in contrast, are thought to produce false positives at the nominal rate, which has thus led to the suggestion that previously reported studies should reanalyze their fMRI data using nonparametric tools. To understand better why parametric methods may yield excessive false positives, we assessed their performance when applied both to simulated datasets of 1D, 2D, and 3D Gaussian Random Fields (GRFs) and to 710 real-world, resting-state fMRI datasets. We showed that both the simulated 2D and 3D GRFs and the real-world data contain a small percentage (<6%) of very large clusters (on average 60 times larger than the average cluster size), which were not present in 1D GRFs. These unexpectedly large clusters were deemed statistically significant using parametric methods, leading to empirical familywise error rates (FWERs) as high as 65%: the high empirical FWERs were not a consequence of parametric methods failing to model spatial smoothness accurately, but rather of these very large clusters that are inherently present in smooth, high-dimensional random fields. In fact, when discounting these very large clusters, the empirical FWER for parametric methods was 3.24%. Furthermore, even an empirical FWER of 65% would yield on average less than one of those very large clusters in each brain-wide analysis. Nonparametric methods, in contrast, estimated distributions from those large clusters, and therefore, by construct rejected the large clusters as false positives at the nominal FWERs. Those rejected clusters were outlying values in the distribution of cluster size but cannot be distinguished from true positive findings without further analyses, including assessing whether fMRI signal in those regions correlates with other clinical, behavioral, or cognitive measures. Rejecting the large clusters, however, significantly reduced the statistical power of nonparametric methods in detecting true findings compared with parametric methods, which would have detected most true findings that are essential for making valid biological inferences in MRI data. Parametric analyses, in contrast, detected most true findings while generating relatively few false positives: on average, less than one of those very large clusters would be deemed a true finding in each brain-wide analysis. We therefore recommend the continued use of parametric methods that model nonstationary smoothness for cluster-level, familywise control of false positives, particularly when using a Cluster Defining Threshold of 2.5 or higher, and subsequently assessing rigorously the biological plausibility of the findings, even for large clusters. Finally, because nonparametric methods yielded a large reduction in statistical power to detect true positive findings, we conclude that the modest reduction in false positive findings that nonparametric analyses afford does not warrant a re-analysis of previously published fMRI studies using nonparametric techniques. Copyright © 2018 Elsevier Inc. All rights reserved.

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

Trubilko, A. I., E-mail: trubilko.andrey@gmail.com

Coherent scattering of a two-level atom in the field of a quantized standing wave of a micromaser is considered under conditions of initial quantum correlation between the atom and the field. Such a correlation can be produced by a broadband parametric source. The interaction leading to scattering of the atom from the nonuniform field occurs in the dispersion limit or in the wing of the absorption line of the atom. Apart from the quantized field, the atom simultaneously interacts with two classical counterpropagating waves with different frequencies, which are acting in the plane perpendicular to the atom’s propagation velocity andmore » to the wavevector of the standing wave. Joint action of the quantized field and two classical waves induces effective two-photon and Raman resonance interaction on the working transition. The effective Hamiltonian of the interaction is derived using the unitary transformation method developed for a moving atom. A strong effect is detected, which makes it possible to distinguish the correlated initial state of the atom and the field in the scattering of atom from the state of independent systems. For all three waves, scattering is not observed when systems with quantum correlation are prepared using a high-intensity parametric source. Conversely, when the atom interacts only with the nonuniform field of the standing wave, scattering is not observed in the case of the initial factorized state.« less

Towards spontaneous parametric down-conversion at low temperatures

NASA Astrophysics Data System (ADS)

Akatiev, Dmitrii; Boldyrev, Kirill; Kuzmin, Nikolai; Latypov, Ilnur; Popova, Marina; Shkalikov, Andrey; Kalachev, Alexey

2017-10-01

The possibility of observing spontaneous parametric down-conversion in doped nonlinear crystals at low temperatures, which would be useful for combining heralded single-photon sources and quantum memories, is studied theoretically. The ordinary refractive index of a lithium niobate crystal doped with magnesium oxide LiNbO3:MgO is measured at liquid nitrogen and helium temperatures. On the basis of the experimental data, the coefficients of the Sellmeier equation are determined for the temperatures from 5 to 300 K. In addition, a poling period of the nonlinear crystal has been calculated for observing type-0 spontaneous parametric down-conversion (ooo-synchronism) at the liquid helium temperature under pumping at the wavelength of λp = 532 nm and emission of the signal field at the wavelength of λs = 794 nm, which corresponds to the resonant absorption line of Tm3+ doped ions.

Simple heterogeneity parametrization for sea surface temperature and chlorophyll

NASA Astrophysics Data System (ADS)

Skákala, Jozef; Smyth, Timothy J.

2016-06-01

Using satellite maps this paper offers a complex analysis of chlorophyll & SST heterogeneity in the shelf seas around the southwest of the UK. The heterogeneity scaling follows a simple power law and is consequently parametrized by two parameters. It is shown that in most cases these two parameters vary only relatively little with time. The paper offers a detailed comparison of field heterogeneity between different regions. How much heterogeneity is in each region preserved in the annual median data is also determined. The paper explicitly demonstrates how one can use these results to calculate representative measurement area for in situ networks.

An analytical parametric study of the broadband noise from axial-flow fans

NASA Technical Reports Server (NTRS)

Chou, Shau-Tak; George, Albert R.

1987-01-01

The rotating dipole analysis of Ffowcs Williams and Hawkings (1969) is used to predict the far field noise radiation due to various rotor broadband noise mechanisms. Consideration is given to inflow turbulence noise, attached boundary layer/trailing-edge interaction noise, tip-vortex formation noise, and trailing-edge thickness noise. The parametric dependence of broadband noise from unducted axial-flow fans on several critical variables is studied theoretically. The angle of attack of the rotor blades, which is related to the rotor performance, is shown to be important to the trailing-edge noise and to the tip-vortex formation noise.

Non-linear wave interaction in a plasma column

NASA Technical Reports Server (NTRS)

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

1979-01-01

Non-linear three-wave interaction is analysed for propagation along a cylindrical plasma column surrounded by an infinite dielectric, in the absence of a static magnetic field. An averaged-Lagrangian method is used, and the results are specialized to parametric interaction and mode conversion, assuming an undepleted pump wave. The theory for these two types of interactions is extended to include imperfect synchronism, and the effects of loss. Computations are presented indicating that parametric growth rates of the order of a fraction of a decibel per centimeter should be obtainable for plausible laboratory plasma column parameters.

Parametric decay of plasma waves near the upper-hybrid resonance

DOE PAGES

Dodin, I. Y.; Arefiev, A. V.

2017-03-28

An intense X wave propagating perpendicularly to dc magnetic field is unstable with respect to a parametric decay into an electron Bernstein wave and a lower-hybrid wave. A modified theory of this effect is proposed that extends to the high-intensity regime, where the instability rate γ ceases to be a linear function of the incident-wave amplitude. An explicit formula for γ is derived and expressed in terms of cold-plasma parameters. Here, theory predictions are in reasonable agreement with the results of the particle-in-cell simulations presented in a separate publication.

Parametric study on the behavior of an innovative subsurface tension leg platform in ultra-deep water

NASA Astrophysics Data System (ADS)

Zhen, Xing-wei; Huang, Yi

2017-10-01

This study focuses on a new technology of Subsurface Tension Leg Platform (STLP), which utilizes the shallowwater rated well completion equipment and technology for the development of large oil and gas fields in ultra-deep water (UDW). Thus, the STLP concept offers attractive advantages over conventional field development concepts. STLP is basically a pre-installed Subsurface Sea-star Platform (SSP), which supports rigid risers and shallow-water rated well completion equipment. The paper details the results of the parametric study on the behavior of STLP at a water depth of 3000 m. At first, a general description of the STLP configuration and working principle is introduced. Then, the numerical models for the global analysis of the STLP in waves and current are presented. After that, extensive parametric studies are carried out with regarding to SSP/tethers system analysis, global dynamic analysis and riser interference analysis. Critical points are addressed on the mooring pattern and riser arrangement under the influence of ocean current, to ensure that the requirements on SSP stability and riser interference are well satisfied. Finally, conclusions and discussions are made. The results indicate that STLP is a competitive well and riser solution in up to 3000 m water depth for offshore petroleum production.

Field-quadrature and photon-number correlations produced by parametric processes.

PubMed

McKinstrie, C J; Karlsson, M; Tong, Z

2010-09-13

In a previous paper [Opt. Express 13, 4986 (2005)], formulas were derived for the field-quadrature and photon-number variances produced by multiple-mode parametric processes. In this paper, formulas are derived for the quadrature and number correlations. The number formulas are used to analyze the properties of basic devices, such as two-mode amplifiers, attenuators and frequency convertors, and composite systems made from these devices, such as cascaded parametric amplifiers and communication links. Amplifiers generate idlers that are correlated with the amplified signals, or correlate pre-existing pairs of modes, whereas attenuators decorrelate pre-existing modes. Both types of device modify the signal-to-noise ratios (SNRs) of the modes on which they act. Amplifiers decrease or increase the mode SNRs, depending on whether they are operated in phase-insensitive (PI) or phase-sensitive (PS) manners, respectively, whereas attenuators always decrease these SNRs. Two-mode PS links are sequences of transmission fibers (attenuators) followed by two-mode PS amplifiers. Not only do these PS links have noise figures that are 6-dB lower than those of the corresponding PI links, they also produce idlers that are (almost) completely correlated with the signals. By detecting the signals and idlers, one can eliminate the effects of electronic noise in the detectors.

Analysis of gravity wave propagation and properties, comparison between WRF model simulations and LIDAR data in Southern France

NASA Astrophysics Data System (ADS)

Costantino, Lorenzo; Heinrich, Philippe

2014-05-01

Small scale atmospheric waves, usually referred as internal of Gravity Waves (GW), represent an efficient transport mechanism of energy and momentum through the atmosphere. They propagate upward from their sources in the lower atmosphere (flow over topography, convection and jet adjustment) to the middle and upper atmosphere. Depending on the horizontal wind shear, they can dissipate at different altitudes and force the atmospheric circulation of the stratosphere and mesosphere. The deposition of momentum associated with the dissipation, or wave breaking, exerts an acceleration to the mean flow, that can significantly alter the thermal and dynamical structure of the atmosphere. GW may have spatial scales that range from few to hundreds of kilometers and range from minutes to hours. For that reason, General Circulation Model (GCM) used in climate studies have generally a coarse resolution, of approximately 2-5° horizontally and 3 km vertically, in the stratosphere. This resolution is fine enough to resolve Rossby-waves but not the small-scale GW activity. Hence, to calculate the momentum-forcing generated by the unresolved waves, they use a drag parametrization which mainly consists in some tuning parameters, constrained by observations of wind circulation and temperature in the upper troposphere and middle atmosphere (Alexander et al., 2010). Traditionally, the GW Drag (GWD) parametrization is used in climate and forecasting models to adjust the structure of winter jets and the horizontal temperature gradient. It was firstly based on the parametrization of orographic waves, which represent zero-phase-speed waves generated by sub-grid topography. Regional models, with horizontal resolutions that can reach few tens or hundreds of meters, are able to directly resolve small-scale GW and may represent a valuable addition to direct observations. In the framework of the ARISE (Atmospheric dynamics Research InfraStructure in Europe) project, this study tests the capability of the Weather Research and Forecasting (WRF) model to generate and propagate GW forced by convection and orography, without any GW parametrization. Results from model simulations are compared with in-situ observations of potential energy vertical profiles in the stratosphere, measured by a LIDAR located at the Observatoire de Haute Provence (Southern France). This comparison allows, to a certain extent, to validate WRF numerical results and quantify some of those wave parameters (e.g., GW drag force, intrinsic frequency, breaking level altitude, etc..) that are fundamental for a deeper understanding of GW role in atmospheric dynamics, but that are not easily measurable by ground- or space-based systems (limited to specific region or certain latitude band). Alexander, M. J., Geller, M., McLandress, C., Polavarapu, S., Preusse, P., Sassi, F., Sato, K., Eckermann, S., Ern, M., Hertzog, A., Kawatani, Y., Pulido, M., Shaw, T. A., Sigmond, M., Vincent, R. and Watanabe, S. (2010), Recent developments in gravity-wave effects in climate models and the global distribution of gravity-wave momentum flux from observations and models. Q.J.R. Meteorol. Soc., 136: 1103-1124. doi: 10.1002/qj.637

Synthesis and Control of Flexible Systems with Component-Level Uncertainties

NASA Technical Reports Server (NTRS)

Maghami, Peiman G.; Lim, Kyong B.

2009-01-01

An efficient and computationally robust method for synthesis of component dynamics is developed. The method defines the interface forces/moments as feasible vectors in transformed coordinates to ensure that connectivity requirements of the combined structure are met. The synthesized system is then defined in a transformed set of feasible coordinates. The simplicity of form is exploited to effectively deal with modeling parametric and non-parametric uncertainties at the substructure level. Uncertainty models of reasonable size and complexity are synthesized for the combined structure from those in the substructure models. In particular, we address frequency and damping uncertainties at the component level. The approach first considers the robustness of synthesized flexible systems. It is then extended to deal with non-synthesized dynamic models with component-level uncertainties by projecting uncertainties to the system level. A numerical example is given to demonstrate the feasibility of the proposed approach.

Parametric Study of Synthetic-Jet-Based Flow Control on a Vertical Tail Model

NASA Astrophysics Data System (ADS)

Monastero, Marianne; Lindstrom, Annika; Beyar, Michael; Amitay, Michael

2015-11-01

Separation control over the rudder of the vertical tail of a commercial airplane using synthetic-jet-based flow control can lead to a reduction in tail size, with an associated decrease in drag and increase in fuel savings. A parametric, experimental study was undertaken using an array of finite span synthetic jets to investigate the sensitivity of the enhanced vertical tail side force to jet parameters, such as jet spanwise spacing and jet momentum coefficient. A generic wind tunnel model was designed and fabricated to fundamentally study the effects of the jet parameters at varying rudder deflection and model sideslip angles. Wind tunnel results obtained from pressure measurements and tuft flow visualization in the Rensselaer Polytechnic Subsonic Wind Tunnel show a decrease in separation severity and increase in model performance in comparison to the baseline, non-actuated case. The sensitivity to various parameters will be presented.

Stable finite element approximations of two-phase flow with soluble surfactant

NASA Astrophysics Data System (ADS)

Barrett, John W.; Garcke, Harald; Nürnberg, Robert

2015-09-01

A parametric finite element approximation of incompressible two-phase flow with soluble surfactants is presented. The Navier-Stokes equations are coupled to bulk and surfaces PDEs for the surfactant concentrations. At the interface adsorption, desorption and stress balances involving curvature effects and Marangoni forces have to be considered. A parametric finite element approximation for the advection of the interface, which maintains good mesh properties, is coupled to the evolving surface finite element method, which is used to discretize the surface PDE for the interface surfactant concentration. The resulting system is solved together with standard finite element approximations of the Navier-Stokes equations and of the bulk parabolic PDE for the surfactant concentration. Semidiscrete and fully discrete approximations are analyzed with respect to stability, conservation and existence/uniqueness issues. The approach is validated for simple test cases and for complex scenarios, including colliding drops in a shear flow, which are computed in two and three space dimensions.

Local tests of gravitation with Gaia observations of Solar System Objects

NASA Astrophysics Data System (ADS)

Hees, Aurélien; Le Poncin-Lafitte, Christophe; Hestroffer, Daniel; David, Pedro

2018-04-01

In this proceeding, we show how observations of Solar System Objects with Gaia can be used to test General Relativity and to constrain modified gravitational theories. The high number of Solar System objects observed and the variety of their orbital parameters associated with the impressive astrometric accuracy will allow us to perform local tests of General Relativity. In this communication, we present a preliminary sensitivity study of the Gaia observations on dynamical parameters such as the Sun quadrupolar moment and on various extensions to general relativity such as the parametrized post-Newtonian parameters, the fifth force formalism and a violation of Lorentz symmetry parametrized by the Standard-Model extension framework. We take into account the time sequences and the geometry of the observations that are particular to Gaia for its nominal mission (5 years) and for an extended mission (10 years).

When Will the Antarctic Ozone Hole Recover?

NASA Technical Reports Server (NTRS)

Newman, Paul A.

2006-01-01

The Antarctic ozone hole demonstrates large-scale, man-made affects on our atmosphere. Surface observations now show that human produced ozone depleting substances (ODSs) are declining. The ozone hole should soon start to diminish because of this decline. In this talk we will demonstrate an ozone hole parametric model. This model is based upon: 1) a new algorithm for estimating 61 and Br levels over Antarctica and 2) late-spring Antarctic stratospheric temperatures. This parametric model explains 95% of the ozone hole area's variance. We use future ODS levels to predict ozone hole recovery. Full recovery to 1980 levels will occur in approximately 2068. The ozone hole area will very slowly decline over the next 2 decades. Detection of a statistically significant decrease of area will not occur until approximately 2024. We further show that nominal Antarctic stratospheric greenhouse gas forced temperature change should have a small impact on the ozone hole.

When Will the Antarctic Ozone Hole Recover?

NASA Technical Reports Server (NTRS)

Newman, Paul A.; Nash, Eric R.; Kawa, S. Randolph; Montzka, Stephen A.; Schauffler, Sue

2006-01-01

The Antarctic ozone hole demonstrates large-scale, man-made affects on our atmosphere. Surface observations now show that human produced ozone depleting substances (ODSs) are declining. The ozone hole should soon start to diminish because of this decline. Herein we demonstrate an ozone hole parametric model. This model is based upon: 1) a new algorithm for estimating C1 and Br levels over Antarctica and 2) late-spring Antarctic stratospheric temperatures. This parametric model explains 95% of the ozone hole area s variance. We use future ODS levels to predict ozone hole recovery. Full recovery to 1980 levels will occur in approximately 2068. The ozone hole area will very slowly decline over the next 2 decades. Detection of a statistically significant decrease of area will not occur until approximately 2024. We further show that nominal Antarctic stratospheric greenhouse gas forced temperature change should have a small impact on the ozone hole.

Test data from small solid propellant rocket motor plume measurements (FA-21)

NASA Technical Reports Server (NTRS)

Hair, L. M.; Somers, R. E.

1976-01-01

A program is described for obtaining a reliable, parametric set of measurements in the exhaust plumes of solid propellant rocket motors. Plume measurements included pressures, temperatures, forces, heat transfer rates, particle sampling, and high-speed movies. Approximately 210,000 digital data points and 15,000 movie frames were acquired. Measurements were made at points in the plumes via rake-mounted probes, and on the surface of a large plate impinged by the exhaust plume. Parametric variations were made in pressure altitude, propellant aluminum loading, impinged plate incidence angle and distance from nozzle exit to plate or rake. Reliability was incorporated by continual use of repeat runs. The test setup of the various hardware items is described along with an account of test procedures. Test results and data accuracy are discussed. Format of the data presentation is detailed. Complete data are included in the appendix.

An algorithm for analytical solution of basic problems featuring elastostatic bodies with cavities and surface flaws

NASA Astrophysics Data System (ADS)

Penkov, V. B.; Levina, L. V.; Novikova, O. S.; Shulmin, A. S.

2018-03-01

Herein we propose a methodology for structuring a full parametric analytical solution to problems featuring elastostatic media based on state-of-the-art computing facilities that support computerized algebra. The methodology includes: direct and reverse application of P-Theorem; methods of accounting for physical properties of media; accounting for variable geometrical parameters of bodies, parameters of boundary states, independent parameters of volume forces, and remote stress factors. An efficient tool to address the task is the sustainable method of boundary states originally designed for the purposes of computerized algebra and based on the isomorphism of Hilbertian spaces of internal states and boundary states of bodies. We performed full parametric solutions of basic problems featuring a ball with a nonconcentric spherical cavity, a ball with a near-surface flaw, and an unlimited medium with two spherical cavities.

Mathematical modelling and simulation of a tennis racket.

PubMed

Brannigan, M; Adali, S

1981-01-01

By constructing a mathematical model, we consider the dynamics of a tennis racket hit by a ball. Using this model, known experimental results can be simulated on the computer, and it becomes possible to make a parametric study of a racket. Such a simulation is essential in the study of two important problems related to tennis: computation of the resulting forces and moments transferred to the hand should assist understanding of the medical problem 'tennis elbow'; secondly, simulation will enable a study to be made of the relationships between the impact time, tension in the strings, forces transmitted to the rim and return velocity of the ball, all of which can lead to the optimal design of rackets.

Parametric models to relate spike train and LFP dynamics with neural information processing.

PubMed

Banerjee, Arpan; Dean, Heather L; Pesaran, Bijan

2012-01-01

Spike trains and local field potentials (LFPs) resulting from extracellular current flows provide a substrate for neural information processing. Understanding the neural code from simultaneous spike-field recordings and subsequent decoding of information processing events will have widespread applications. One way to demonstrate an understanding of the neural code, with particular advantages for the development of applications, is to formulate a parametric statistical model of neural activity and its covariates. Here, we propose a set of parametric spike-field models (unified models) that can be used with existing decoding algorithms to reveal the timing of task or stimulus specific processing. Our proposed unified modeling framework captures the effects of two important features of information processing: time-varying stimulus-driven inputs and ongoing background activity that occurs even in the absence of environmental inputs. We have applied this framework for decoding neural latencies in simulated and experimentally recorded spike-field sessions obtained from the lateral intraparietal area (LIP) of awake, behaving monkeys performing cued look-and-reach movements to spatial targets. Using both simulated and experimental data, we find that estimates of trial-by-trial parameters are not significantly affected by the presence of ongoing background activity. However, including background activity in the unified model improves goodness of fit for predicting individual spiking events. Uncovering the relationship between the model parameters and the timing of movements offers new ways to test hypotheses about the relationship between neural activity and behavior. We obtained significant spike-field onset time correlations from single trials using a previously published data set where significantly strong correlation was only obtained through trial averaging. We also found that unified models extracted a stronger relationship between neural response latency and trial-by-trial behavioral performance than existing models of neural information processing. Our results highlight the utility of the unified modeling framework for characterizing spike-LFP recordings obtained during behavioral performance.

MEMBRANE PROCESS TO SEQUESTER CO2 FROM POWER PLANT FLUE GAS

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

Tim Merkel; Karl Amo; Richard Baker

2009-03-31

The objective of this project was to assess the feasibility of using a membrane process to capture CO2 from coal-fired power plant flue gas. During this program, MTR developed a novel membrane (Polaris™) with a CO2 permeance tenfold higher than commercial CO2-selective membranes used in natural gas treatment. The Polaris™ membrane, combined with a process design that uses a portion of combustion air as a sweep stream to generate driving force for CO2 permeation, meets DOE post-combustion CO2 capture targets. Initial studies indicate a CO2 separation and liquefaction cost of $20 - $30/ton CO2 using about 15% of the plantmore » energy at 90% CO2 capture from a coal-fired power plant. Production of the Polaris™ CO2 capture membrane was scaled up with MTR’s commercial casting and coating equipment. Parametric tests of cross-flow and countercurrent/sweep modules prepared from this membrane confirm their near-ideal performance under expected flue gas operating conditions. Commercial-scale, 8-inch diameter modules also show stable performance in field tests treating raw natural gas. These findings suggest that membranes are a viable option for flue gas CO2 capture. The next step will be to conduct a field demonstration treating a realworld power plant flue gas stream. The first such MTR field test will capture 1 ton CO2/day at Arizona Public Service’s Cholla coal-fired power plant, as part of a new DOE NETL funded program.« less

Unitarity check in gravitational Higgs mechanism

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

Berezhiani, Lasha; Mirbabayi, Mehrdad

2011-03-15

The effective field theory of massive gravity has long been formulated in a generally covariant way [N. Arkani-Hamed, H. Georgi, and M. D. Schwartz, Ann. Phys. (N.Y.) 305, 96 (2003).]. Using this formalism, it has been found recently that there exists a class of massive nonlinear theories that are free of the Boulware-Deser ghosts, at least in the decoupling limit [C. de Rham and G. Gabadadze, Phys. Rev. D 82, 044020 (2010).]. In this work we study other recently proposed models that go under the name of 'gravitational Higgs theories' [A. H. Chamseddine and V. Mukhanov, J. High Energy Phys.more » 08 (2010) 011.]. We show that these models, although seemingly different from the effective field theories of massive gravity, are in fact equivalent to them. Furthermore, based on the results obtained in the effective field theory approach, we conclude that the gravitational Higgs theories need the same adjustment of the Lagrangian to avoid the ghosts. We also show the equivalence between the noncovariant mode decomposition used in the Higgs theories, and the covariant Stueckelberg parametrization adopted in the effective field theories, thus proving that the presence or absence of the ghost is independent of the parametrization used in either theory.« less

Realizing and characterizing chiral photon flow in a circuit quantum electrodynamics necklace.

PubMed

Wang, Yan-Pu; Wang, Wei; Xue, Zheng-Yuan; Yang, Wan-Li; Hu, Yong; Wu, Ying

2015-02-10

Gauge theory plays the central role in modern physics. Here we propose a scheme of implementing artificial Abelian gauge fields via the parametric conversion method in a necklace of superconducting transmission line resonators (TLRs) coupled by superconducting quantum interference devices (SQUIDs). The motivation is to synthesize an extremely strong effective magnetic field for charge-neutral bosons which can hardly be achieved in conventional solid-state systems. The dynamic modulations of the SQUIDs can induce effective magnetic fields for the microwave photons in the TLR necklace through the generation of the nontrivial hopping phases of the photon hopping between neighboring TLRs. To demonstrate the synthetic magnetic field, we study the realization and detection of the chiral photon flow dynamics in this architecture under the influence of decoherence. Taking the advantages of its simplicity and flexibility, this parametric scheme is feasible with state-of-the-art technology and may pave an alternative way for investigating the gauge theories with superconducting quantum circuits. We further propose a quantitative measure for the chiral property of the photon flow. Beyond the level of qualitative description, the dependence of the chiral flow on external pumping parameters and cavity decay is characterized.

Parallel pumping for magnon spintronics: Amplification and manipulation of magnon spin currents on the micron-scale

NASA Astrophysics Data System (ADS)

Brächer, T.; Pirro, P.; Hillebrands, B.

2017-06-01

Magnonics and magnon spintronics aim at the utilization of spin waves and magnons, their quanta, for the construction of wave-based logic networks via the generation of pure all-magnon spin currents and their interfacing with electric charge transport. The promise of efficient parallel data processing and low power consumption renders this field one of the most promising research areas in spintronics. In this context, the process of parallel parametric amplification, i.e., the conversion of microwave photons into magnons at one half of the microwave frequency, has proven to be a versatile tool to excite and to manipulate spin waves. Its beneficial and unique properties such as frequency and mode-selectivity, the possibility to excite spin waves in a wide wavevector range and the creation of phase-correlated wave pairs, have enabled the achievement of important milestones like the magnon Bose-Einstein condensation and the cloning and trapping of spin-wave packets. Parallel parametric amplification, which allows for the selective amplification of magnons while conserving their phase is, thus, one of the key methods of spin-wave generation and amplification. The application of parallel parametric amplification to CMOS-compatible micro- and nano-structures is an important step towards the realization of magnonic networks. This is motivated not only by the fact that amplifiers are an important tool for the construction of any extended logic network but also by the unique properties of parallel parametric amplification. In particular, the creation of phase-correlated wave pairs allows for rewarding alternative logic operations such as a phase-dependent amplification of the incident waves. Recently, the successful application of parallel parametric amplification to metallic microstructures has been reported which constitutes an important milestone for the application of magnonics in practical devices. It has been demonstrated that parametric amplification provides an excellent tool to generate and to amplify spin waves in these systems in a wide wavevector range. In particular, the amplification greatly benefits from the discreteness of the spin-wave spectra since the size of the microstructures is comparable to the spin-wave wavelength. This opens up new, interesting routes of spin-wave amplification and manipulation. In this review, we will give an overview over the recent developments and achievements in this field.

State-Dependence of the Climate Sensitivity in Earth System Models of Intermediate Complexity

NASA Astrophysics Data System (ADS)

Pfister, Patrik L.; Stocker, Thomas F.

2017-10-01

Growing evidence from general circulation models (GCMs) indicates that the equilibrium climate sensitivity (ECS) depends on the magnitude of forcing, which is commonly referred to as state-dependence. We present a comprehensive assessment of ECS state-dependence in Earth system models of intermediate complexity (EMICs) by analyzing millennial simulations with sustained 2×CO2 and 4×CO2 forcings. We compare different extrapolation methods and show that ECS is smaller in the higher-forcing scenario in 12 out of 15 EMICs, in contrast to the opposite behavior reported from GCMs. In one such EMIC, the Bern3D-LPX model, this state-dependence is mainly due to the weakening sea ice-albedo feedback in the Southern Ocean, which depends on model configuration. Due to ocean-mixing adjustments, state-dependence is only detected hundreds of years after the abrupt forcing, highlighting the need for long model integrations. Adjustments to feedback parametrizations of EMICs may be necessary if GCM intercomparisons confirm an opposite state-dependence.

Sgr A* Emission Parametrizations from GRMHD Simulations

NASA Astrophysics Data System (ADS)

Anantua, Richard; Ressler, Sean; Quataert, Eliot

2018-06-01

Galactic Center emission near the vicinity of the central black hole, Sagittarius (Sgr) A*, is modeled using parametrizations involving the electron temperature, which is found from general relativistic magnetohydrodynamic (GRMHD) simulations to be highest in the disk-outflow corona. Jet-motivated prescriptions generalizing equipartition of particle and magnetic energies, e.g., by scaling relativistic electron energy density to powers of the magnetic field strength, are also introduced. GRMHD jet (or outflow)/accretion disk/black hole (JAB) simulation postprocessing codes IBOTHROS and GRMONTY are employed in the calculation of images and spectra. Various parametric models reproduce spectral and morphological features, such as the sub-mm spectral bump in electron temperature models and asymmetric photon rings in equipartition-based models. The Event Horizon Telescope (EHT) will provide unprecedentedly high-resolution 230+ GHz observations of the "shadow" around Sgr A*'s supermassive black hole, which the synthetic models presented here will reverse-engineer. Both electron temperature and equipartition-based models can be constructed to be compatible with EHT size constraints for the emitting region of Sgr A*. This program sets the groundwork for devising a unified emission parametrization flexible enough to model disk, corona and outflow/jet regions with a small set of parameters including electron heating fraction and plasma beta.

Recent Developments and Applications of the CHARMM force fields

PubMed Central

Zhu, Xiao; Lopes, Pedro E.M.; MacKerell, Alexander D.

2011-01-01

Empirical force fields commonly used to describe the condensed phase properties of complex systems such as biological macromolecules are continuously being updated. Improvements in quantum mechanical (QM) methods used to generate target data, availability of new experimental target data, incorporation of new classes of compounds and new theoretical developments (eg. polarizable methods) make force-field development a dynamic domain of research. Accordingly, a number of improvements and extensions of the CHARMM force fields have occurred over the years. The objective of the present review is to provide an up-to-date overview of the CHARMM force fields. A limited presentation on the historical aspects of force fields will be given, including underlying methodologies and principles, along with a brief description of the strategies used for parameter development. This is followed by information on the CHARMM additive and polarizable force fields, including examples of recent applications of those force fields. PMID:23066428

Bifurcation analysis of parametrically excited bipolar disorder model

NASA Astrophysics Data System (ADS)

Nana, Laurent

2009-02-01

Bipolar II disorder is characterized by alternating hypomanic and major depressive episode. We model the periodic mood variations of a bipolar II patient with a negatively damped harmonic oscillator. The medications administrated to the patient are modeled via a forcing function that is capable of stabilizing the mood variations and of varying their amplitude. We analyze analytically, using perturbation method, the amplitude and stability of limit cycles and check this analysis with numerical simulations.

Large-Amplitude Forced Response of Dynamic Systems

DTIC Science & Technology

1992-11-01

Blacksburg, VA, June 25-27, 1990. 11. A. Abou- Rayan , A. H. Nayfeh, D. T. Mook, and M. A. Nayfeh, "Nonlinear Analysis of a Parametrically Excited...34 62nd Shock and Vibration Symposium, Springfield, VA, October 29-31, 1991. 23. A. Abou- Rayan , A. H. Nayfeh, D. T. Mook, and M. A. Nayfeh...Mechanics, Virginia Polytechnic Institute and State University, Blacksburg, VA, 1991. 6. A. Abou- Rayan , Ph.D., "Deterministic and Stochastic Responses

Catalytic Reactor for Inerting of Aircraft Fuel Tanks

DTIC Science & Technology

1974-06-01

Aluminum Panels After Triphase Corrosion Test 79 35 Inerting System Flows in Various Flight Modes 82 36 High Flow Reactor Parametric Data 84 37 System...AD/A-000 939 CATALYTIC REACTOR FOR INERTING OF AIRCRAFT FUEL TANKS George H. McDonald, et al AiResearch Manufacturing Company Prepared for: Air Force...190th Street 2b. GROUP Torrance, California .. REPORT TITLE CATALYTIC REACTOR FOR INERTING OF AIRCRAFT FUEL TANKS . OESCRIP TIVE NOTEs (Thpe of refpoft

Differences in bite force between dolichofacial and brachyfacial individuals: Side of mastication, gender, weight and height.

PubMed

Quiudini, Paulo Roberto; Pozza, Daniel Humberto; Pinto, Ary Dos Santos; de Arruda, Mauricio Ferraz; Guimarães, Antonio Sergio

2017-07-01

Due to the bite force importance in functionality of the masticatory system, this study aimed to characterize it in dolichofacial and brachyfacial individuals. A sample comprised by 190 patients was divided into two groups: 90 severe dolichofacial, and 100 severe brachyfacial individuals classified according to the VERT index and the face height ratio (Jarabak quotient). Bite force was measured by using an adjusted digital dynamometer and proper methodology. The sample met the parametric assumptions and presented statistical significance when right and left sides of dolichofacial and brachyfacial individuals were compared. However, within the same group, no differences between the left and right sides were found. Generally, bite force was higher for male, left masticator, age between 41-50 years, weighing over 100kg and between 1.81 and 1.90m tall. Based on the results of this cross-sectional study, it was possible to conclude that the bite force in severe brachyfacial individuals was significantly higher than in severe dolichofacial individuals, being influenced by gender, weight and height. Copyright © 2016 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

Determination of Mechanical Properties of Spatially Heterogeneous Breast Tissue Specimens Using Contact Mode Atomic Force Microscopy (AFM)

PubMed Central

Roy, Rajarshi; Desai, Jaydev P.

2016-01-01

This paper outlines a comprehensive parametric approach for quantifying mechanical properties of spatially heterogeneous thin biological specimens such as human breast tissue using contact-mode Atomic Force Microscopy. Using inverse finite element (FE) analysis of spherical nanoindentation, the force response from hyperelastic material models is compared with the predicted force response from existing analytical contact models, and a sensitivity study is carried out to assess uniqueness of the inverse FE solution. Furthermore, an automation strategy is proposed to analyze AFM force curves with varying levels of material nonlinearity with minimal user intervention. Implementation of our approach on an elastic map acquired from raster AFM indentation of breast tissue specimens indicates that a judicious combination of analytical and numerical techniques allow more accurate interpretation of AFM indentation data compared to relying on purely analytical contact models, while keeping the computational cost associated an inverse FE solution with reasonable limits. The results reported in this study have several implications in performing unsupervised data analysis on AFM indentation measurements on a wide variety of heterogeneous biomaterials. PMID:25015130

Interference of Locally Forced Internal Waves in Non-Uniform Stratifications

NASA Astrophysics Data System (ADS)

Supekar, Rohit; Peacock, Thomas

2017-11-01

Several studies have investigated the effect of constructive or destructive interference on the transmission of internal waves propagating through non-uniform stratifications. Such studies have been performed for internal waves that are spatiotemporally harmonic. To understand the effect of localization, we perform a theoretical and experimental study of the transmission of two-dimensional internal waves that are generated by a spatiotemporally localized boundary forcing. This is done by considering an idealized problem and applying a weakly viscous semi-analytic linear model. Parametric studies using this model show that localization leads to the disappearance of transmission peaks and troughs that would otherwise be present for a harmonic forcing. Laboratory experiments that we perform provide a clear indication of this physical effect. Based on the group velocity and angle of propagation of the internal waves, a practical criteria that assesses when the transmission peaks or troughs are evident, is obtained. It is found that there is a significant difference in the predicted energy transfer due to a harmonic and non-harmonic forcing which has direct implications to various physical forcings such as a storm over the ocean.

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.

Autonomous and driven dynamics of spin torque nano-oscillators

NASA Astrophysics Data System (ADS)

Urazhdin, Sergei

2012-02-01

Understanding the dynamical properties of autonomous spin torque nano-oscillators (STNO) and their response to external perturbations is important for their applications as nanoscale microwave sources. We used spectroscopic measurements to study the dynamical characteristics of nanopillar- and point contact-based STNOs incorporating a microstrip in close proximity to the active magnetic layer. By applying microwave current at frequency fext to the microstrip, we were able to generate large microwave fields of more than 30 Oe rms at the location of STNO. We demonstrate that for a wide range of fext, STNO exhibits multiple synchronization regimes with integer and non-integer rational ratios between fext and the oscillation frequency f. We show that the synchronization ranges are determined by the symmetry of the oscillation orbit and the orientation of the driving field relative to the symmetry axis of the orbit. We observe synchronization hysteresis, i.e. a dependence of the synchronization limits on the dynamical history caused by the nonlinearity of STNO. We also show that the oscillation can be parametrically excited in the subcritical regime of STNO by a microwave field at twice the frequency of the oscillation. By measuring the threshold and the frequency range of parametric excitation, we determine damping, spin-polarization efficiency, and coupling to the microwave signal. In addition, by measuring the frequency range of parametric synchronization in the auto-oscillation regime, we determine the dynamic nonlinearity of the nanomagnet. Thus, analysis of the driven oscillations provides complete information about the dynamical characteristics of STNO. Finally, we discuss several unusual dynamical behaviors of STNO caused by their strong nonlinearity.

Simple physics-based analytical formulas for the potentials of mean force of the interaction of amino-acid side chains in water. V. Like-charged side chains.

PubMed

Makowski, Mariusz; Liwo, Adam; Sobolewski, Emil; Scheraga, Harold A

2011-05-19

A new model of side-chain-side-chain interactions for charged side-chains of amino acids, to be used in the UNRES force-field, has been developed, in which a side chain consists of a nonpolar and a charged site. The interaction energy between the nonpolar sites is composed of a Gay-Berne and a cavity term; the interaction energy between the charged sites consists of a Lennard-Jones term, a Coulombic term, a generalized-Born term, and a cavity term, while the interaction energy between the nonpolar and charged sites is composed of a Gay-Berne and a polarization term. We parametrized the energy function for the models of all six pairs of natural like-charged amino-acid side chains, namely propionate-propionate (for the aspartic acid-aspartic acid pair), butyrate-butyrate (for the glutamic acid-glutamic acid pair), propionate-butyrate (for the aspartic acid-glutamic acid pair), pentylamine cation-pentylamine cation (for the lysine-lysine pair), 1-butylguanidine cation-1-butylguanidine cation (for the arginine-arginine pair), and pentylamine cation-1-butylguanidine cation (for the lysine-arginine pair). By using umbrella-sampling molecular dynamics simulations in explicit TIP3P water, we determined the potentials of mean force of the above-mentioned pairs as functions of distance and orientation and fitted analytical expressions to them. The positions and depths of the contact minima and the positions and heights of the desolvation maxima, including their dependence on the orientation of the molecules were well represented by analytical expressions for all systems. The values of the parameters of all the energy components are physically reasonable, which justifies use of such potentials in coarse-grain protein-folding simulations. © 2011 American Chemical Society

BPHZ renormalization in configuration space for the A4-model

NASA Astrophysics Data System (ADS)

Pottel, Steffen

2018-02-01

Recent developments for BPHZ renormalization performed in configuration space are reviewed and applied to the model of a scalar quantum field with quartic self-interaction. An extension of the results regarding the short-distance expansion and the Zimmermann identity is shown for a normal product, which is quadratic in the field operator. The realization of the equation of motion is computed for the interacting field and the relation to parametric differential equations is indicated.

Core surface magnetic field evolution 2000-2010

NASA Astrophysics Data System (ADS)

Finlay, C. C.; Jackson, A.; Gillet, N.; Olsen, N.

2012-05-01

We present new dedicated core surface field models spanning the decade from 2000.0 to 2010.0. These models, called gufm-sat, are based on CHAMP, Ørsted and SAC-C satellite observations along with annual differences of processed observatory monthly means. A spatial parametrization of spherical harmonics up to degree and order 24 and a temporal parametrization of sixth-order B-splines with 0.25 yr knot spacing is employed. Models were constructed by minimizing an absolute deviation measure of misfit along with measures of spatial and temporal complexity at the core surface. We investigate traditional quadratic or maximum entropy regularization in space, and second or third time derivative regularization in time. Entropy regularization allows the construction of models with approximately constant spectral slope at the core surface, avoiding both the divergence characteristic of the crustal field and the unrealistic rapid decay typical of quadratic regularization at degrees above 12. We describe in detail aspects of the models that are relevant to core dynamics. Secular variation and secular acceleration are found to be of lower amplitude under the Pacific hemisphere where the core field is weaker. Rapid field evolution is observed under the eastern Indian Ocean associated with the growth and drift of an intense low latitude flux patch. We also find that the present axial dipole decay arises from a combination of subtle changes in the southern hemisphere field morphology.

Circuit theory and model-based inference for landscape connectivity

USGS Publications Warehouse

Hanks, Ephraim M.; Hooten, Mevin B.

2013-01-01

Circuit theory has seen extensive recent use in the field of ecology, where it is often applied to study functional connectivity. The landscape is typically represented by a network of nodes and resistors, with the resistance between nodes a function of landscape characteristics. The effective distance between two locations on a landscape is represented by the resistance distance between the nodes in the network. Circuit theory has been applied to many other scientific fields for exploratory analyses, but parametric models for circuits are not common in the scientific literature. To model circuits explicitly, we demonstrate a link between Gaussian Markov random fields and contemporary circuit theory using a covariance structure that induces the necessary resistance distance. This provides a parametric model for second-order observations from such a system. In the landscape ecology setting, the proposed model provides a simple framework where inference can be obtained for effects that landscape features have on functional connectivity. We illustrate the approach through a landscape genetics study linking gene flow in alpine chamois (Rupicapra rupicapra) to the underlying landscape.

Nonlinear Parametric Excitation Effect Induces Stability Transitions in Swimming Direction of Flexible Superparamagnetic Microswimmers.

PubMed

Harduf, Yuval; Jin, Dongdong; Or, Yizhar; Zhang, Li

2018-04-05

Microscopic artificial swimmers have recently become highly attractive due to their promising potential for biomedical microrobotic applications. Previous pioneering work has demonstrated the motion of a robotic microswimmer with a flexible chain of superparamagnetic beads, which is actuated by applying an oscillating external magnetic field. Interestingly, they have shown that the microswimmer's orientation undergoes a 90°-transition when the magnetic field's oscillation amplitude is increased above a critical value. This unexpected transition can cause severe problems in steering and manipulation of flexible magnetic microrobotic swimmers. Thus, theoretical understanding and analysis of the physical origins of this effect are of crucial importance. In this work, we investigate this transition both theoretically and experimentally by using numerical simulations and presenting a novel flexible microswimmer with an anisotropic superparamagnetic head. We prove that this effect depends on both frequency and amplitude of the oscillating magnetic field, and demonstrate existence of an optimal amplitude achieving maximal swimming speed. Asymptotic analysis of a minimal two-link model reveals that the changes in the swimmer's direction represent stability transitions, which are induced by a nonlinear parametric excitation.

NUMERICAL SIMULATIONS OF KELVIN–HELMHOLTZ INSTABILITY: A TWO-DIMENSIONAL PARAMETRIC STUDY

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

Tian, Chunlin; Chen, Yao, E-mail: chunlin.tian@sdu.edu.cn

2016-06-10

Using two-dimensional simulations, we numerically explore the dependences of Kelvin–Helmholtz (KH) instability upon various physical parameters, including viscosity, the width of the sheared layer, flow speed, and magnetic field strength. In most cases, a multi-vortex phase exists between the initial growth phase and the final single-vortex phase. The parametric study shows that the evolutionary properties, such as phase duration and vortex dynamics, are generally sensitive to these parameters, except in certain regimes. An interesting result is that for supersonic flows, the phase durations and saturation of velocity growth approach constant values asymptotically as the sonic Mach number increases. We confirmmore » that the linear coupling between magnetic field and KH modes is negligible if the magnetic field is weak enough. The morphological behavior suggests that the multi-vortex coalescence might be driven by the underlying wave–wave interaction. Based on these results, we present a preliminary discussion of several events observed in the solar corona. The numerical models need to be further improved to perform a practical diagnostic of the coronal plasma properties.« less

Understanding the electron-phonon interaction in polar crystals: Perspective presented by the vibronic theory

NASA Astrophysics Data System (ADS)

Pishtshev, A.; Kristoffel, N.

2017-05-01

We outline our novel results relating to the physics of the electron-TO-phonon (el-TO-ph) interaction in a polar crystal. We explained why the el-TO-ph interaction becomes effectively strong in a ferroelectric, and showed how the electron density redistribution establishes favorable conditions for soft-behavior of the long-wavelength branch of the active TO vibration. In the context of the vibronic theory it has been demonstrated that at the macroscopic level the interaction of electrons with the polar zone-centre TO phonons can be associated with the internal long-range dipole forces. Also we elucidated a methodological issue of how local field effects are incorporated within the vibronic theory. These result provided not only substantial support for the vibronic mechanism of ferroelectricity but also presented direct evidence of equivalence between vibronic and the other lattice dynamics models. The corresponding comparison allowed us to introduce the original parametrization for constants of the vibronic interaction in terms of key material constants. The applicability of the suggested formula has been tested for a wide class of polar materials.

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

Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de; Lilienfeld, O. Anatole von

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlightmore » the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R{sup 6} correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol.« less

Empirical scoring functions for advanced protein-ligand docking with PLANTS.

PubMed

Korb, Oliver; Stützle, Thomas; Exner, Thomas E

2009-01-01

In this paper we present two empirical scoring functions, PLANTS(CHEMPLP) and PLANTS(PLP), designed for our docking algorithm PLANTS (Protein-Ligand ANT System), which is based on ant colony optimization (ACO). They are related, regarding their functional form, to parts of already published scoring functions and force fields. The parametrization procedure described here was able to identify several parameter settings showing an excellent performance for the task of pose prediction on two test sets comprising 298 complexes in total. Up to 87% of the complexes of the Astex diverse set and 77% of the CCDC/Astex clean listnc (noncovalently bound complexes of the clean list) could be reproduced with root-mean-square deviations of less than 2 A with respect to the experimentally determined structures. A comparison with the state-of-the-art docking tool GOLD clearly shows that this is, especially for the druglike Astex diverse set, an improvement in pose prediction performance. Additionally, optimized parameter settings for the search algorithm were identified, which can be used to balance pose prediction reliability and search speed.

A New and General Formulation of the Parametric HFGMC Micromechanical Method for Three-Dimensional Multi-Phase Composites

NASA Technical Reports Server (NTRS)

Haj-Ali, Rami; Aboudi, Jacob

2012-01-01

The recent two-dimensional (2-D) parametric formulation of the high fidelity generalized method of cells (HFGMC) reported by the authors is generalized for the micromechanical analysis of three-dimensional (3-D) multiphase composites with periodic microstructure. Arbitrary hexahedral subcell geometry is developed to discretize a triply periodic repeating unit-cell (RUC). Linear parametric-geometric mapping is employed to transform the arbitrary hexahedral subcell shapes from the physical space to an auxiliary orthogonal shape, where a complete quadratic displacement expansion is performed. Previously in the 2-D case, additional three equations are needed in the form of average moments of equilibrium as a result of the inclusion of the bilinear terms. However, the present 3-D parametric HFGMC formulation eliminates the need for such additional equations. This is achieved by expressing the coefficients of the full quadratic polynomial expansion of the subcell in terms of the side or face average-displacement vectors. The 2-D parametric and orthogonal HFGMC are special cases of the present 3-D formulation. The continuity of displacements and tractions, as well as the equilibrium equations, are imposed in the average (integral) sense as in the original HFGMC formulation. Each of the six sides (faces) of a subcell has an independent average displacement micro-variable vector which forms an energy-conjugate pair with the transformed average-traction vector. This allows generating symmetric stiffness matrices along with internal resisting vectors for the subcells which enhances the computational efficiency. The established new parametric 3-D HFGMC equations are formulated and solution implementations are addressed. Several applications for triply periodic 3-D composites are presented to demonstrate the general capability and varsity of the present parametric HFGMC method for refined micromechanical analysis by generating the spatial distributions of local stress fields. These applications include triply periodic composites with inclusions in the form of a cavity, spherical inclusion, ellipsoidal inclusion, discontinuous aligned short fiber. A 3-D repeating unit-cell for foam material composite is simulated.

Radiative Forcing by Contrails

NASA Technical Reports Server (NTRS)

Meerkoetter, R.; Schumann, U.; Doelling, D. R.; Nakajima, T.; Tsushima, Y.

1999-01-01

A parametric study of the instantaneous radiative impact of contrails is presented using three different radiative transfer models for a series of model atmospheres and cloud parameters. Contrails are treated as geometrically and optically thin plane parallel homogeneous cirrus layers in a static atmospheres The ice water content is varied as a function of ambient temperature. The model atmospheres include tropical, mid-latitude, and subarctic summer and winter atmospheres Optically thin contrails cause a positive net forcing at top of the atmosphere. At the surface the radiative forcing is negative during daytime. The forcing increases with the optical depth and the amount of contrail cover. At the top of the atmosphere a mean contrail cover of 0.1% with average optical depth of 0.2 to 0.5 causes about 0.01 to 0.03 W/m(exp 2)a daily mean instantaneous radiative forcing. Contrails cool the surface during the day and heat the surface during the night, and hence reduce the daily temperature amplitude The net effect depends strongly on the daily variation of contrail cloud cover. The indirect radiative forcing due to particle changes in natural cirrus clouds may be of the same magnitude as the direct one due to additional cover.

Glass microneedles for force measurements: a finite-element analysis model

PubMed Central

Ayittey, Peter N.; Walker, John S.; Rice, Jeremy J.; de Tombe, Pieter P.

2010-01-01

Changes in developed force (0.1–3.0 μN) observed during contraction of single myofibrils in response to rapidly changing calcium concentrations can be measured using glass microneedles. These microneedles are calibrated for stiffness and deflect on response to developed myofibril force. The precision and accuracy of kinetic measurements are highly dependent on the structural and mechanical characteristics of the microneedles, which are generally assumed to have a linear force–deflection relationship. We present a finite-element analysis (FEA) model used to simulate the effects of measurable geometry on stiffness as a function of applied force and validate our model with actual measured needle properties. In addition, we developed a simple heuristic constitutive equation that best describes the stiffness of our range of microneedles used and define limits of geometry parameters within which our predictions hold true. Our model also maps a relation between the geometry parameters and natural frequencies in air, enabling optimum parametric combinations for microneedle fabrication that would reflect more reliable force measurement in fluids and physiological environments. We propose a use for this model to aid in the design of microneedles to improve calibration time, reproducibility, and precision for measuring myofibrillar, cellular, and supramolecular kinetic forces. PMID:19104827

Effect of Knudsen thermal force on the performance of low-pressure micro gas sensor

NASA Astrophysics Data System (ADS)

Barzegar Gerdroodbary, M.; Ganji, D. D.; Taeibi-Rahni, M.; Vakilipour, Shidvash

2017-07-01

In this paper, Direct Simulation Monte Carlo (DSMC) simulations were applied to investigate the mechanism of the force generation inside a low-pressure gas sensor. The flow feature and force generation mechanism inside a rectangular enclosure with heat and cold arms as the non-isothermal walls are comprehensively explained. In addition, extensive parametric studies are done to study the effects of physical parameters on the performance and characteristics of this device in different operating conditions. In this research, the Knudsen number is varied from 0.1 to 4.5 (0.5 to 11torr) to reveal all the characteristics of the thermally driven force inside the MEMS sensor. In order to simulate a rarefied gas inside the micro gas detector, Boltzmann equations are applied to obtain high-precision results. The effects of ambient pressure and temperature difference of arms are comprehensively investigated. Our findings show that maximum force increases more than 7 times when the temperature difference of the cold and hot arms is increased from 10 to 100K. In addition, the results demonstrate that the thermal gradient at rarefied pressure induces complex structure, and the mechanism of force generation highly varies at different pressure conditions.

Piezoelectric parametric effects on wave vibration and contact mechanics of traveling wave ultrasonic motor.

PubMed

Zhang, Dongsheng; Wang, Shiyu; Xiu, Jie

2017-11-01

Elastic wave quality determines the operating performance of traveling wave ultrasonic motor (TWUM). The time-variant circumferential force from the shrink of piezoelectric ceramic is one of the factors that distort the elastic wave. The distorted waveshape deviates from the ideal standard sinusoidal fashion and affects the contact mechanics and driving performance. An analytical dynamic model of ring ultrasonic motor is developed. Based on this model, the piezoelectric parametric effects on the wave distortion and contact mechanics are examined. Multi-scale method is employed to obtain unstable regions and distorted wave response. The unstable region is verified by Floquét theory. Since the waveshape affects the contact mechanism, a contact model involving the distorted waveshape and normal stiffness of the contact layer is established. The contact model is solved by numerical calculation. The results verify that the deformation of the contact layer deviates from sinusoidal waveshape and the pressure distribution is changed, which influences the output characteristics directly. The surface speed within the contact region is averaged such that the rotor speed decreases for lower torque and increases for larger torque. The effects from different parametric strengths, excitation frequencies and pre-pressures on pressure distribution and torque-speed relation are compared. Copyright © 2017 Elsevier B.V. All rights reserved.

A multi-instrument non-parametric reconstruction of the electron pressure profile in the galaxy cluster CLJ1226.9+3332

NASA Astrophysics Data System (ADS)

Romero, C.; McWilliam, M.; Macías-Pérez, J.-F.; Adam, R.; Ade, P.; André, P.; Aussel, H.; Beelen, A.; Benoît, A.; Bideaud, A.; Billot, N.; Bourrion, O.; Calvo, M.; Catalano, A.; Coiffard, G.; Comis, B.; de Petris, M.; Désert, F.-X.; Doyle, S.; Goupy, J.; Kramer, C.; Lagache, G.; Leclercq, S.; Lestrade, J.-F.; Mauskopf, P.; Mayet, F.; Monfardini, A.; Pascale, E.; Perotto, L.; Pisano, G.; Ponthieu, N.; Revéret, V.; Ritacco, A.; Roussel, H.; Ruppin, F.; Schuster, K.; Sievers, A.; Triqueneaux, S.; Tucker, C.; Zylka, R.

2018-04-01

Context. In the past decade, sensitive, resolved Sunyaev-Zel'dovich (SZ) studies of galaxy clusters have become common. Whereas many previous SZ studies have parameterized the pressure profiles of galaxy clusters, non-parametric reconstructions will provide insights into the thermodynamic state of the intracluster medium. Aim. We seek to recover the non-parametric pressure profiles of the high redshift (z = 0.89) galaxy cluster CLJ 1226.9+3332 as inferred from SZ data from the MUSTANG, NIKA, Bolocam, and Planck instruments, which all probe different angular scales. Methods: Our non-parametric algorithm makes use of logarithmic interpolation, which under the assumption of ellipsoidal symmetry is analytically integrable. For MUSTANG, NIKA, and Bolocam we derive a non-parametric pressure profile independently and find good agreement among the instruments. In particular, we find that the non-parametric profiles are consistent with a fitted generalized Navaro-Frenk-White (gNFW) profile. Given the ability of Planck to constrain the total signal, we include a prior on the integrated Compton Y parameter as determined by Planck. Results: For a given instrument, constraints on the pressure profile diminish rapidly beyond the field of view. The overlap in spatial scales probed by these four datasets is therefore critical in checking for consistency between instruments. By using multiple instruments, our analysis of CLJ 1226.9+3332 covers a large radial range, from the central regions to the cluster outskirts: 0.05 R500 < r < 1.1 R500. This is a wider range of spatial scales than is typically recovered by SZ instruments. Similar analyses will be possible with the new generation of SZ instruments such as NIKA2 and MUSTANG2.

Parametric instability, inverse cascade and the range of solar-wind turbulence

NASA Astrophysics Data System (ADS)

Chandran, Benjamin D. G.

2018-02-01

In this paper, weak-turbulence theory is used to investigate the nonlinear evolution of the parametric instability in three-dimensional low- plasmas at wavelengths much greater than the ion inertial length under the assumption that slow magnetosonic waves are strongly damped. It is shown analytically that the parametric instability leads to an inverse cascade of Alfvén wave quanta, and several exact solutions to the wave kinetic equations are presented. The main results of the paper concern the parametric decay of Alfvén waves that initially satisfy +\\gg e-$ , where +$ and -$ are the frequency ( ) spectra of Alfvén waves propagating in opposite directions along the magnetic field lines. If +$ initially has a peak frequency 0$ (at which +$ is maximized) and an `infrared' scaling p$ at smaller with , then +$ acquires an -1$ scaling throughout a range of frequencies that spreads out in both directions from 0$ . At the same time, -$ acquires an -2$ scaling within this same frequency range. If the plasma parameters and infrared +$ spectrum are chosen to match conditions in the fast solar wind at a heliocentric distance of 0.3 astronomical units (AU), then the nonlinear evolution of the parametric instability leads to an +$ spectrum that matches fast-wind measurements from the Helios spacecraft at 0.3 AU, including the observed -1$ scaling at -4~\\text{Hz}$ . The results of this paper suggest that the -1$ spectrum seen by Helios in the fast solar wind at -4~\\text{Hz}$ is produced in situ by parametric decay and that the -1$ range of +$ extends over an increasingly narrow range of frequencies as decreases below 0.3 AU. This prediction will be tested by measurements from the Parker Solar Probe.

Streamflow hindcasting in European river basins via multi-parametric ensemble of the mesoscale hydrologic model (mHM)

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; Rakovec, Oldrich; Kumar, Rohini; Samaniego, Luis

2016-04-01

There have been tremendous improvements in distributed hydrologic modeling (DHM) which made a process-based simulation with a high spatiotemporal resolution applicable on a large spatial scale. Despite of increasing information on heterogeneous property of a catchment, DHM is still subject to uncertainties inherently coming from model structure, parameters and input forcing. Sequential data assimilation (DA) may facilitate improved streamflow prediction via DHM using real-time observations to correct internal model states. In conventional DA methods such as state updating, parametric uncertainty is, however, often ignored mainly due to practical limitations of methodology to specify modeling uncertainty with limited ensemble members. If parametric uncertainty related with routing and runoff components is not incorporated properly, predictive uncertainty by DHM may be insufficient to capture dynamics of observations, which may deteriorate predictability. Recently, a multi-scale parameter regionalization (MPR) method was proposed to make hydrologic predictions at different scales using a same set of model parameters without losing much of the model performance. The MPR method incorporated within the mesoscale hydrologic model (mHM, http://www.ufz.de/mhm) could effectively represent and control uncertainty of high-dimensional parameters in a distributed model using global parameters. In this study, we present a global multi-parametric ensemble approach to incorporate parametric uncertainty of DHM in DA to improve streamflow predictions. To effectively represent and control uncertainty of high-dimensional parameters with limited number of ensemble, MPR method is incorporated with DA. Lagged particle filtering is utilized to consider the response times and non-Gaussian characteristics of internal hydrologic processes. The hindcasting experiments are implemented to evaluate impacts of the proposed DA method on streamflow predictions in multiple European river basins having different climate and catchment characteristics. Because augmentation of parameters is not required within an assimilation window, the approach could be stable with limited ensemble members and viable for practical uses.

Melnikov processes and chaos in randomly perturbed dynamical systems

NASA Astrophysics Data System (ADS)

Yagasaki, Kazuyuki

2018-07-01

We consider a wide class of randomly perturbed systems subjected to stationary Gaussian processes and show that chaotic orbits exist almost surely under some nondegenerate condition, no matter how small the random forcing terms are. This result is very contrasting to the deterministic forcing case, in which chaotic orbits exist only if the influence of the forcing terms overcomes that of the other terms in the perturbations. To obtain the result, we extend Melnikov’s method and prove that the corresponding Melnikov functions, which we call the Melnikov processes, have infinitely many zeros, so that infinitely many transverse homoclinic orbits exist. In addition, a theorem on the existence and smoothness of stable and unstable manifolds is given and the Smale–Birkhoff homoclinic theorem is extended in an appropriate form for randomly perturbed systems. We illustrate our theory for the Duffing oscillator subjected to the Ornstein–Uhlenbeck process parametrically.

Reparameterization of RNA chi Torsion Parameters for the AMBER Force Field and Comparison to NMR Spectra for Cytidine and Uridine.

PubMed

Yildirim, Ilyas; Stern, Harry A; Kennedy, Scott D; Tubbs, Jason D; Turner, Douglas H

2010-05-11

A reparameterization of the torsional parameters for the glycosidic dihedral angle, chi, for the AMBER99 force field in RNA nucleosides is used to provide a modified force field, AMBER99chi. Molecular dynamics simulations of cytidine, uridine, adenosine, and guanosine in aqueous solution using the AMBER99 and AMBER99chi force fields are compared with NMR results. For each nucleoside and force field, 10 individual molecular dynamics simulations of 30 ns each were run. For cytidine with AMBER99chi force field, each molecular dynamics simulation time was extended to 120 ns for convergence purposes. Nuclear magnetic resonance (NMR) spectroscopy, including one-dimensional (1D) (1)H, steady-state 1D (1)H nuclear Overhauser effect (NOE), and transient 1D (1)H NOE, was used to determine the sugar puckering and preferred base orientation with respect to the ribose of cytidine and uridine. The AMBER99 force field overestimates the population of syn conformations of the base orientation and of C2'-endo sugar puckering of the pyrimidines, while the AMBER99chi force field's predictions are more consistent with NMR results. Moreover, the AMBER99 force field prefers high anti conformations with glycosidic dihedral angles around 310 degrees for the base orientation of purines. The AMBER99chi force field prefers anti conformations around 185 degrees , which is more consistent with the quantum mechanical calculations and known 3D structures of folded ribonucleic acids (RNAs). Evidently, the AMBER99chi force field predicts the structural characteristics of ribonucleosides better than the AMBER99 force field and should improve structural and thermodynamic predictions of RNA structures.

Validating empirical force fields for molecular-level simulation of cellulose dissolution

USDA-ARS?s Scientific Manuscript database

The calculations presented here, which include dynamics simulations using analytical force fields and first principles studies, indicate that the COMPASS force field is preferred over the Dreiding and Universal force fields for studying dissolution of large cellulose structures. The validity of thes...

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.

Parametric optimization of optical signal detectors employing the direct photodetection scheme

NASA Astrophysics Data System (ADS)

Kirakosiants, V. E.; Loginov, V. A.

1984-08-01

The problem of optimization of the optical signal detection scheme parameters is addressed using the concept of a receiver with direct photodetection. An expression is derived which accurately approximates the field of view (FOV) values obtained by a direct computer minimization of the probability of missing a signal; optimum values of the receiver FOV were found for different atmospheric conditions characterized by the number of coherence spots and the intensity fluctuations of a plane wave. It is further pointed out that the criterion presented can be possibly used for parametric optimization of detectors operating in accordance with the Neumann-Pearson criterion.